USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 NoAdj-H: A 35 HIS HD1 : A 35 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 7:sc= 0.329 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.71! X(o=-2.7!,f=-3.1) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 27 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.35) USER MOD Single : A 31 THR OG1 : rot 147:sc= 1.05 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0556 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -7.09! C(o=-7.1!,f=-7.6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0387 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.448 X(o=0.45,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 150:sc= -3.56! (180deg=-6.81!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.311 -42.382 13.157 1.00 0.00 N ATOM 2 CA GLY A 1 -0.595 -41.721 11.897 1.00 0.00 C ATOM 3 C GLY A 1 -2.081 -41.627 11.613 1.00 0.00 C ATOM 4 O GLY A 1 -2.626 -42.425 10.850 1.00 0.00 O ATOM 0 H1 GLY A 1 0.718 -42.421 13.304 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.752 -41.851 13.935 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.694 -43.348 13.136 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.167 -40.719 11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.107 -42.264 11.087 1.00 0.00 H new ATOM 8 N SER A 2 -2.740 -40.651 12.230 1.00 0.00 N ATOM 9 CA SER A 2 -4.173 -40.459 12.044 1.00 0.00 C ATOM 10 C SER A 2 -4.508 -38.979 11.892 1.00 0.00 C ATOM 11 O SER A 2 -4.232 -38.174 12.781 1.00 0.00 O ATOM 12 CB SER A 2 -4.946 -41.050 13.225 1.00 0.00 C ATOM 13 OG SER A 2 -6.340 -40.852 13.073 1.00 0.00 O ATOM 0 H SER A 2 -2.304 -39.981 12.863 1.00 0.00 H new ATOM 0 HA SER A 2 -4.468 -40.976 11.131 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.734 -42.116 13.305 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.609 -40.587 14.152 1.00 0.00 H new ATOM 0 HG SER A 2 -6.811 -41.240 13.840 1.00 0.00 H new ATOM 19 N SER A 3 -5.105 -38.627 10.758 1.00 0.00 N ATOM 20 CA SER A 3 -5.475 -37.243 10.486 1.00 0.00 C ATOM 21 C SER A 3 -6.694 -37.176 9.571 1.00 0.00 C ATOM 22 O SER A 3 -6.849 -37.993 8.664 1.00 0.00 O ATOM 23 CB SER A 3 -4.303 -36.496 9.847 1.00 0.00 C ATOM 24 OG SER A 3 -3.275 -36.257 10.793 1.00 0.00 O ATOM 0 H SER A 3 -5.343 -39.281 10.013 1.00 0.00 H new ATOM 0 HA SER A 3 -5.727 -36.767 11.434 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.907 -37.078 9.014 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.652 -35.548 9.437 1.00 0.00 H new ATOM 0 HG SER A 3 -3.490 -36.715 11.632 1.00 0.00 H new ATOM 30 N GLY A 4 -7.558 -36.196 9.817 1.00 0.00 N ATOM 31 CA GLY A 4 -8.753 -36.039 9.008 1.00 0.00 C ATOM 32 C GLY A 4 -8.604 -34.956 7.958 1.00 0.00 C ATOM 33 O GLY A 4 -7.845 -35.109 7.001 1.00 0.00 O ATOM 0 H GLY A 4 -7.452 -35.508 10.562 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.984 -36.985 8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.597 -35.800 9.655 1.00 0.00 H new ATOM 37 N SER A 5 -9.332 -33.858 8.136 1.00 0.00 N ATOM 38 CA SER A 5 -9.283 -32.747 7.193 1.00 0.00 C ATOM 39 C SER A 5 -8.034 -31.900 7.418 1.00 0.00 C ATOM 40 O SER A 5 -7.390 -31.988 8.463 1.00 0.00 O ATOM 41 CB SER A 5 -10.534 -31.877 7.331 1.00 0.00 C ATOM 42 OG SER A 5 -10.727 -31.076 6.179 1.00 0.00 O ATOM 0 H SER A 5 -9.963 -33.714 8.925 1.00 0.00 H new ATOM 0 HA SER A 5 -9.246 -33.159 6.185 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.407 -32.511 7.487 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.442 -31.239 8.210 1.00 0.00 H new ATOM 0 HG SER A 5 -11.534 -30.531 6.291 1.00 0.00 H new ATOM 48 N SER A 6 -7.697 -31.079 6.428 1.00 0.00 N ATOM 49 CA SER A 6 -6.523 -30.218 6.514 1.00 0.00 C ATOM 50 C SER A 6 -6.774 -28.886 5.814 1.00 0.00 C ATOM 51 O SER A 6 -7.504 -28.818 4.826 1.00 0.00 O ATOM 52 CB SER A 6 -5.309 -30.912 5.894 1.00 0.00 C ATOM 53 OG SER A 6 -4.983 -32.097 6.601 1.00 0.00 O ATOM 0 H SER A 6 -8.221 -30.992 5.557 1.00 0.00 H new ATOM 0 HA SER A 6 -6.322 -30.023 7.567 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.517 -31.152 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.456 -30.234 5.901 1.00 0.00 H new ATOM 0 HG SER A 6 -4.205 -32.523 6.184 1.00 0.00 H new ATOM 59 N GLY A 7 -6.163 -27.826 6.336 1.00 0.00 N ATOM 60 CA GLY A 7 -6.332 -26.509 5.749 1.00 0.00 C ATOM 61 C GLY A 7 -5.029 -25.738 5.671 1.00 0.00 C ATOM 62 O GLY A 7 -4.913 -24.644 6.222 1.00 0.00 O ATOM 0 H GLY A 7 -5.555 -27.856 7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.750 -26.612 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.052 -25.941 6.339 1.00 0.00 H new ATOM 66 N GLY A 8 -4.045 -26.311 4.985 1.00 0.00 N ATOM 67 CA GLY A 8 -2.756 -25.656 4.851 1.00 0.00 C ATOM 68 C GLY A 8 -2.412 -25.344 3.408 1.00 0.00 C ATOM 69 O GLY A 8 -3.222 -25.564 2.508 1.00 0.00 O ATOM 0 H GLY A 8 -4.117 -27.216 4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.760 -24.732 5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.981 -26.294 5.276 1.00 0.00 H new ATOM 73 N SER A 9 -1.207 -24.828 3.187 1.00 0.00 N ATOM 74 CA SER A 9 -0.760 -24.479 1.844 1.00 0.00 C ATOM 75 C SER A 9 -1.454 -23.213 1.351 1.00 0.00 C ATOM 76 O SER A 9 -2.053 -23.200 0.276 1.00 0.00 O ATOM 77 CB SER A 9 -1.032 -25.633 0.877 1.00 0.00 C ATOM 78 OG SER A 9 -0.140 -25.598 -0.224 1.00 0.00 O ATOM 0 H SER A 9 -0.523 -24.643 3.921 1.00 0.00 H new ATOM 0 HA SER A 9 0.313 -24.292 1.883 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.930 -26.583 1.402 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.060 -25.576 0.518 1.00 0.00 H new ATOM 0 HG SER A 9 -0.334 -26.347 -0.826 1.00 0.00 H new ATOM 84 N GLU A 10 -1.368 -22.151 2.146 1.00 0.00 N ATOM 85 CA GLU A 10 -1.989 -20.880 1.792 1.00 0.00 C ATOM 86 C GLU A 10 -0.982 -19.738 1.889 1.00 0.00 C ATOM 87 O GLU A 10 -0.289 -19.592 2.895 1.00 0.00 O ATOM 88 CB GLU A 10 -3.185 -20.600 2.703 1.00 0.00 C ATOM 89 CG GLU A 10 -2.809 -20.432 4.166 1.00 0.00 C ATOM 90 CD GLU A 10 -2.270 -21.709 4.780 1.00 0.00 C ATOM 91 OE1 GLU A 10 -3.087 -22.557 5.197 1.00 0.00 O ATOM 92 OE2 GLU A 10 -1.032 -21.861 4.844 1.00 0.00 O ATOM 0 H GLU A 10 -0.875 -22.146 3.039 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.336 -20.949 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.689 -19.696 2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.900 -21.418 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.060 -19.645 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.684 -20.105 4.727 1.00 0.00 H new ATOM 99 N GLU A 11 -0.909 -18.930 0.835 1.00 0.00 N ATOM 100 CA GLU A 11 0.013 -17.801 0.802 1.00 0.00 C ATOM 101 C GLU A 11 -0.729 -16.486 1.021 1.00 0.00 C ATOM 102 O GLU A 11 -0.417 -15.474 0.393 1.00 0.00 O ATOM 103 CB GLU A 11 0.758 -17.763 -0.534 1.00 0.00 C ATOM 104 CG GLU A 11 -0.152 -17.553 -1.733 1.00 0.00 C ATOM 105 CD GLU A 11 0.620 -17.317 -3.017 1.00 0.00 C ATOM 106 OE1 GLU A 11 1.607 -16.552 -2.984 1.00 0.00 O ATOM 107 OE2 GLU A 11 0.236 -17.897 -4.054 1.00 0.00 O ATOM 0 H GLU A 11 -1.477 -19.036 -0.006 1.00 0.00 H new ATOM 0 HA GLU A 11 0.734 -17.929 1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.498 -16.963 -0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.304 -18.697 -0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.794 -18.426 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.805 -16.701 -1.544 1.00 0.00 H new ATOM 114 N GLU A 12 -1.711 -16.509 1.916 1.00 0.00 N ATOM 115 CA GLU A 12 -2.498 -15.319 2.217 1.00 0.00 C ATOM 116 C GLU A 12 -2.077 -14.711 3.552 1.00 0.00 C ATOM 117 O GLU A 12 -2.763 -14.869 4.561 1.00 0.00 O ATOM 118 CB GLU A 12 -3.989 -15.661 2.247 1.00 0.00 C ATOM 119 CG GLU A 12 -4.889 -14.492 1.884 1.00 0.00 C ATOM 120 CD GLU A 12 -5.294 -13.669 3.092 1.00 0.00 C ATOM 121 OE1 GLU A 12 -5.982 -14.216 3.979 1.00 0.00 O ATOM 122 OE2 GLU A 12 -4.922 -12.478 3.149 1.00 0.00 O ATOM 0 H GLU A 12 -1.981 -17.338 2.445 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.316 -14.586 1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.179 -16.483 1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.252 -16.015 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.374 -13.851 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.784 -14.868 1.389 1.00 0.00 H new ATOM 129 N GLU A 13 -0.943 -14.017 3.547 1.00 0.00 N ATOM 130 CA GLU A 13 -0.430 -13.387 4.758 1.00 0.00 C ATOM 131 C GLU A 13 -0.666 -11.879 4.729 1.00 0.00 C ATOM 132 O GLU A 13 0.209 -11.096 5.101 1.00 0.00 O ATOM 133 CB GLU A 13 1.064 -13.677 4.917 1.00 0.00 C ATOM 134 CG GLU A 13 1.527 -13.716 6.363 1.00 0.00 C ATOM 135 CD GLU A 13 3.020 -13.494 6.505 1.00 0.00 C ATOM 136 OE1 GLU A 13 3.459 -12.329 6.412 1.00 0.00 O ATOM 137 OE2 GLU A 13 3.750 -14.487 6.708 1.00 0.00 O ATOM 0 H GLU A 13 -0.363 -13.877 2.720 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.967 -13.805 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.292 -14.633 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.632 -12.915 4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.995 -12.953 6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.264 -14.680 6.799 1.00 0.00 H new ATOM 144 N ILE A 14 -1.853 -11.481 4.285 1.00 0.00 N ATOM 145 CA ILE A 14 -2.204 -10.068 4.208 1.00 0.00 C ATOM 146 C ILE A 14 -2.864 -9.595 5.498 1.00 0.00 C ATOM 147 O ILE A 14 -3.745 -10.253 6.052 1.00 0.00 O ATOM 148 CB ILE A 14 -3.152 -9.788 3.026 1.00 0.00 C ATOM 149 CG1 ILE A 14 -2.496 -10.204 1.708 1.00 0.00 C ATOM 150 CG2 ILE A 14 -3.535 -8.316 2.993 1.00 0.00 C ATOM 151 CD1 ILE A 14 -3.454 -10.224 0.537 1.00 0.00 C ATOM 0 H ILE A 14 -2.588 -12.116 3.973 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.275 -9.519 4.056 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.060 -10.377 3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.678 -9.519 1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.058 -11.195 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.205 -8.133 2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.038 -8.050 3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.637 -7.709 2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.921 -10.528 -0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.259 -10.931 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.873 -9.228 0.393 1.00 0.00 H new ATOM 163 N PRO A 15 -2.431 -8.424 5.989 1.00 0.00 N ATOM 164 CA PRO A 15 -2.968 -7.835 7.219 1.00 0.00 C ATOM 165 C PRO A 15 -4.402 -7.344 7.049 1.00 0.00 C ATOM 166 O PRO A 15 -4.878 -7.166 5.928 1.00 0.00 O ATOM 167 CB PRO A 15 -2.028 -6.657 7.487 1.00 0.00 C ATOM 168 CG PRO A 15 -1.480 -6.297 6.150 1.00 0.00 C ATOM 169 CD PRO A 15 -1.384 -7.586 5.381 1.00 0.00 C ATOM 0 HA PRO A 15 -3.010 -8.559 8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.562 -5.819 7.935 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.233 -6.935 8.179 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.130 -5.586 5.640 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.502 -5.825 6.243 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.560 -7.433 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.398 -8.040 5.479 1.00 0.00 H new ATOM 177 N PHE A 16 -5.085 -7.128 8.168 1.00 0.00 N ATOM 178 CA PHE A 16 -6.465 -6.658 8.143 1.00 0.00 C ATOM 179 C PHE A 16 -6.555 -5.207 8.608 1.00 0.00 C ATOM 180 O PHE A 16 -7.366 -4.432 8.103 1.00 0.00 O ATOM 181 CB PHE A 16 -7.344 -7.544 9.028 1.00 0.00 C ATOM 182 CG PHE A 16 -7.128 -9.014 8.807 1.00 0.00 C ATOM 183 CD1 PHE A 16 -7.714 -9.660 7.731 1.00 0.00 C ATOM 184 CD2 PHE A 16 -6.338 -9.749 9.676 1.00 0.00 C ATOM 185 CE1 PHE A 16 -7.516 -11.013 7.525 1.00 0.00 C ATOM 186 CE2 PHE A 16 -6.137 -11.102 9.475 1.00 0.00 C ATOM 187 CZ PHE A 16 -6.727 -11.734 8.399 1.00 0.00 C ATOM 0 H PHE A 16 -4.705 -7.271 9.104 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.822 -6.714 7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -7.146 -7.309 10.074 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.391 -7.306 8.840 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.333 -9.101 7.045 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.874 -9.260 10.520 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.978 -11.505 6.682 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.519 -11.664 10.159 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.572 -12.791 8.241 1.00 0.00 H new ATOM 197 N ARG A 17 -5.715 -4.849 9.573 1.00 0.00 N ATOM 198 CA ARG A 17 -5.700 -3.493 10.108 1.00 0.00 C ATOM 199 C ARG A 17 -4.269 -2.981 10.254 1.00 0.00 C ATOM 200 O ARG A 17 -3.316 -3.761 10.245 1.00 0.00 O ATOM 201 CB ARG A 17 -6.409 -3.448 11.463 1.00 0.00 C ATOM 202 CG ARG A 17 -5.567 -3.985 12.609 1.00 0.00 C ATOM 203 CD ARG A 17 -6.085 -3.503 13.955 1.00 0.00 C ATOM 204 NE ARG A 17 -7.233 -4.282 14.410 1.00 0.00 N ATOM 205 CZ ARG A 17 -8.491 -3.986 14.103 1.00 0.00 C ATOM 206 NH1 ARG A 17 -8.761 -2.934 13.343 1.00 0.00 N ATOM 207 NH2 ARG A 17 -9.482 -4.744 14.556 1.00 0.00 N ATOM 0 H ARG A 17 -5.036 -5.479 10.000 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.229 -2.848 9.407 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.691 -2.418 11.682 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.332 -4.025 11.400 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.571 -5.075 12.585 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.532 -3.667 12.481 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.287 -3.567 14.695 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.366 -2.453 13.880 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.059 -5.099 14.996 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.002 -2.350 12.993 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.728 -2.709 13.109 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.278 -5.555 15.140 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.448 -4.516 14.320 1.00 0.00 H new ATOM 221 N CYS A 18 -4.127 -1.667 10.386 1.00 0.00 N ATOM 222 CA CYS A 18 -2.814 -1.050 10.533 1.00 0.00 C ATOM 223 C CYS A 18 -2.106 -1.568 11.781 1.00 0.00 C ATOM 224 O CYS A 18 -2.736 -2.128 12.678 1.00 0.00 O ATOM 225 CB CYS A 18 -2.948 0.472 10.603 1.00 0.00 C ATOM 226 SG CYS A 18 -1.368 1.347 10.843 1.00 0.00 S ATOM 0 H CYS A 18 -4.906 -1.008 10.394 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.216 -1.315 9.661 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.412 0.828 9.683 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.622 0.730 11.420 1.00 0.00 H new ATOM 231 N PHE A 19 -0.792 -1.377 11.831 1.00 0.00 N ATOM 232 CA PHE A 19 0.003 -1.825 12.969 1.00 0.00 C ATOM 233 C PHE A 19 0.566 -0.635 13.741 1.00 0.00 C ATOM 234 O PHE A 19 0.786 -0.715 14.950 1.00 0.00 O ATOM 235 CB PHE A 19 1.144 -2.728 12.497 1.00 0.00 C ATOM 236 CG PHE A 19 1.656 -2.381 11.128 1.00 0.00 C ATOM 237 CD1 PHE A 19 0.963 -2.777 9.995 1.00 0.00 C ATOM 238 CD2 PHE A 19 2.829 -1.660 10.974 1.00 0.00 C ATOM 239 CE1 PHE A 19 1.431 -2.460 8.733 1.00 0.00 C ATOM 240 CE2 PHE A 19 3.301 -1.340 9.715 1.00 0.00 C ATOM 241 CZ PHE A 19 2.602 -1.741 8.593 1.00 0.00 C ATOM 0 H PHE A 19 -0.255 -0.915 11.097 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.648 -2.392 13.635 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.966 -2.665 13.210 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.801 -3.763 12.497 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.047 -3.340 10.099 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.381 -1.345 11.847 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.882 -2.774 7.858 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.216 -0.777 9.608 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.970 -1.493 7.609 1.00 0.00 H new ATOM 251 N ILE A 20 0.798 0.465 13.034 1.00 0.00 N ATOM 252 CA ILE A 20 1.335 1.671 13.652 1.00 0.00 C ATOM 253 C ILE A 20 0.329 2.289 14.617 1.00 0.00 C ATOM 254 O ILE A 20 0.706 2.867 15.637 1.00 0.00 O ATOM 255 CB ILE A 20 1.725 2.720 12.594 1.00 0.00 C ATOM 256 CG1 ILE A 20 2.798 2.158 11.658 1.00 0.00 C ATOM 257 CG2 ILE A 20 2.215 3.994 13.266 1.00 0.00 C ATOM 258 CD1 ILE A 20 2.846 2.847 10.312 1.00 0.00 C ATOM 0 H ILE A 20 0.623 0.546 12.032 1.00 0.00 H new ATOM 0 HA ILE A 20 2.227 1.373 14.202 1.00 0.00 H new ATOM 0 HB ILE A 20 0.843 2.962 12.001 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.772 2.249 12.139 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.616 1.094 11.506 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.487 4.725 12.505 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.423 4.401 13.895 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.087 3.769 13.881 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.629 2.398 9.701 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.885 2.734 9.811 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.059 3.907 10.453 1.00 0.00 H new ATOM 270 N CYS A 21 -0.952 2.162 14.289 1.00 0.00 N ATOM 271 CA CYS A 21 -2.014 2.706 15.127 1.00 0.00 C ATOM 272 C CYS A 21 -2.958 1.601 15.594 1.00 0.00 C ATOM 273 O CYS A 21 -3.789 1.814 16.477 1.00 0.00 O ATOM 274 CB CYS A 21 -2.799 3.773 14.362 1.00 0.00 C ATOM 275 SG CYS A 21 -3.439 3.214 12.751 1.00 0.00 S ATOM 0 H CYS A 21 -1.280 1.687 13.448 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.554 3.162 16.004 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.635 4.105 14.978 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.156 4.639 14.205 1.00 0.00 H new ATOM 280 N ARG A 22 -2.822 0.422 14.996 1.00 0.00 N ATOM 281 CA ARG A 22 -3.663 -0.715 15.350 1.00 0.00 C ATOM 282 C ARG A 22 -5.132 -0.413 15.069 1.00 0.00 C ATOM 283 O ARG A 22 -6.019 -0.888 15.778 1.00 0.00 O ATOM 284 CB ARG A 22 -3.478 -1.074 16.825 1.00 0.00 C ATOM 285 CG ARG A 22 -2.076 -1.553 17.164 1.00 0.00 C ATOM 286 CD ARG A 22 -1.730 -2.833 16.419 1.00 0.00 C ATOM 287 NE ARG A 22 -0.541 -3.481 16.968 1.00 0.00 N ATOM 288 CZ ARG A 22 -0.562 -4.271 18.035 1.00 0.00 C ATOM 289 NH1 ARG A 22 -1.703 -4.510 18.666 1.00 0.00 N ATOM 290 NH2 ARG A 22 0.562 -4.825 18.474 1.00 0.00 N ATOM 0 H ARG A 22 -2.138 0.229 14.264 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.361 -1.563 14.736 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.712 -0.201 17.435 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.193 -1.851 17.093 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.354 -0.777 16.911 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.998 -1.723 18.238 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.574 -3.521 16.469 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.566 -2.606 15.366 1.00 0.00 H new ATOM 0 HE ARG A 22 0.354 -3.318 16.506 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.569 -4.086 18.332 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.715 -5.117 19.485 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.442 -4.644 17.992 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.545 -5.432 19.294 1.00 0.00 H new ATOM 304 N GLN A 23 -5.381 0.379 14.031 1.00 0.00 N ATOM 305 CA GLN A 23 -6.742 0.745 13.659 1.00 0.00 C ATOM 306 C GLN A 23 -7.056 0.296 12.235 1.00 0.00 C ATOM 307 O GLN A 23 -6.175 -0.170 11.513 1.00 0.00 O ATOM 308 CB GLN A 23 -6.939 2.256 13.785 1.00 0.00 C ATOM 309 CG GLN A 23 -5.977 2.916 14.759 1.00 0.00 C ATOM 310 CD GLN A 23 -6.422 2.779 16.202 1.00 0.00 C ATOM 311 OE1 GLN A 23 -7.466 2.194 16.489 1.00 0.00 O ATOM 312 NE2 GLN A 23 -5.629 3.320 17.120 1.00 0.00 N ATOM 0 H GLN A 23 -4.658 0.779 13.433 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.427 0.239 14.340 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.819 2.713 12.803 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.961 2.455 14.106 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.988 2.472 14.644 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.883 3.973 14.511 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.772 3.796 16.837 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.877 3.259 18.108 1.00 0.00 H new ATOM 321 N ALA A 24 -8.316 0.440 11.839 1.00 0.00 N ATOM 322 CA ALA A 24 -8.745 0.051 10.501 1.00 0.00 C ATOM 323 C ALA A 24 -7.887 0.720 9.433 1.00 0.00 C ATOM 324 O ALA A 24 -7.646 1.926 9.481 1.00 0.00 O ATOM 325 CB ALA A 24 -10.212 0.399 10.296 1.00 0.00 C ATOM 0 H ALA A 24 -9.058 0.823 12.425 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.621 -1.028 10.406 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.519 0.103 9.293 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.818 -0.130 11.032 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.351 1.473 10.416 1.00 0.00 H new ATOM 331 N PHE A 25 -7.427 -0.072 8.470 1.00 0.00 N ATOM 332 CA PHE A 25 -6.593 0.444 7.390 1.00 0.00 C ATOM 333 C PHE A 25 -7.279 1.607 6.681 1.00 0.00 C ATOM 334 O PHE A 25 -8.277 1.421 5.985 1.00 0.00 O ATOM 335 CB PHE A 25 -6.279 -0.667 6.385 1.00 0.00 C ATOM 336 CG PHE A 25 -5.037 -1.443 6.719 1.00 0.00 C ATOM 337 CD1 PHE A 25 -3.869 -0.787 7.076 1.00 0.00 C ATOM 338 CD2 PHE A 25 -5.037 -2.828 6.675 1.00 0.00 C ATOM 339 CE1 PHE A 25 -2.724 -1.498 7.383 1.00 0.00 C ATOM 340 CE2 PHE A 25 -3.895 -3.544 6.982 1.00 0.00 C ATOM 341 CZ PHE A 25 -2.737 -2.879 7.336 1.00 0.00 C ATOM 0 H PHE A 25 -7.617 -1.073 8.415 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.661 0.806 7.825 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.125 -1.353 6.338 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.168 -0.228 5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.854 0.292 7.115 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.939 -3.354 6.398 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.820 -0.975 7.659 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.908 -4.623 6.945 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.844 -3.437 7.575 1.00 0.00 H new ATOM 351 N GLN A 26 -6.738 2.807 6.864 1.00 0.00 N ATOM 352 CA GLN A 26 -7.298 4.001 6.243 1.00 0.00 C ATOM 353 C GLN A 26 -6.381 4.525 5.144 1.00 0.00 C ATOM 354 O GLN A 26 -5.319 5.081 5.421 1.00 0.00 O ATOM 355 CB GLN A 26 -7.527 5.089 7.294 1.00 0.00 C ATOM 356 CG GLN A 26 -8.808 4.904 8.092 1.00 0.00 C ATOM 357 CD GLN A 26 -8.933 5.894 9.233 1.00 0.00 C ATOM 358 OE1 GLN A 26 -8.705 7.092 9.058 1.00 0.00 O ATOM 359 NE2 GLN A 26 -9.298 5.400 10.410 1.00 0.00 N ATOM 0 H GLN A 26 -5.912 2.978 7.438 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.254 3.731 5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.680 5.104 7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.554 6.060 6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.665 5.012 7.427 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.840 3.890 8.491 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.477 4.401 10.510 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.399 6.020 11.214 1.00 0.00 H new ATOM 368 N ASN A 27 -6.798 4.344 3.895 1.00 0.00 N ATOM 369 CA ASN A 27 -6.012 4.798 2.753 1.00 0.00 C ATOM 370 C ASN A 27 -4.612 4.191 2.780 1.00 0.00 C ATOM 371 O ASN A 27 -3.604 4.891 2.685 1.00 0.00 O ATOM 372 CB ASN A 27 -5.918 6.325 2.747 1.00 0.00 C ATOM 373 CG ASN A 27 -7.194 6.984 3.234 1.00 0.00 C ATOM 374 OD1 ASN A 27 -8.297 6.563 2.884 1.00 0.00 O ATOM 375 ND2 ASN A 27 -7.050 8.025 4.046 1.00 0.00 N ATOM 0 H ASN A 27 -7.675 3.886 3.648 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.514 4.468 1.844 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.087 6.638 3.379 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.697 6.669 1.736 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.873 8.509 4.405 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.117 8.340 4.310 1.00 0.00 H new ATOM 382 N PRO A 28 -4.548 2.858 2.913 1.00 0.00 N ATOM 383 CA PRO A 28 -3.278 2.127 2.954 1.00 0.00 C ATOM 384 C PRO A 28 -2.565 2.126 1.606 1.00 0.00 C ATOM 385 O PRO A 28 -3.204 2.079 0.555 1.00 0.00 O ATOM 386 CB PRO A 28 -3.698 0.707 3.338 1.00 0.00 C ATOM 387 CG PRO A 28 -5.109 0.591 2.876 1.00 0.00 C ATOM 388 CD PRO A 28 -5.710 1.961 3.032 1.00 0.00 C ATOM 0 HA PRO A 28 -2.570 2.579 3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.062 -0.037 2.858 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.619 0.548 4.413 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.154 0.261 1.838 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.654 -0.144 3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.455 2.163 2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.208 2.074 3.995 1.00 0.00 H new ATOM 396 N VAL A 29 -1.237 2.179 1.643 1.00 0.00 N ATOM 397 CA VAL A 29 -0.438 2.182 0.424 1.00 0.00 C ATOM 398 C VAL A 29 0.591 1.057 0.439 1.00 0.00 C ATOM 399 O VAL A 29 1.187 0.760 1.474 1.00 0.00 O ATOM 400 CB VAL A 29 0.290 3.526 0.234 1.00 0.00 C ATOM 401 CG1 VAL A 29 -0.711 4.649 0.009 1.00 0.00 C ATOM 402 CG2 VAL A 29 1.178 3.825 1.433 1.00 0.00 C ATOM 0 H VAL A 29 -0.692 2.220 2.504 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.127 2.030 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 29 0.924 3.454 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.178 5.591 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.301 4.438 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.373 4.725 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.685 4.778 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.567 3.878 2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.919 3.034 1.543 1.00 0.00 H new ATOM 412 N VAL A 30 0.795 0.434 -0.718 1.00 0.00 N ATOM 413 CA VAL A 30 1.753 -0.658 -0.839 1.00 0.00 C ATOM 414 C VAL A 30 3.147 -0.132 -1.164 1.00 0.00 C ATOM 415 O VAL A 30 3.322 0.674 -2.078 1.00 0.00 O ATOM 416 CB VAL A 30 1.327 -1.660 -1.929 1.00 0.00 C ATOM 417 CG1 VAL A 30 1.472 -1.040 -3.311 1.00 0.00 C ATOM 418 CG2 VAL A 30 2.141 -2.940 -1.822 1.00 0.00 C ATOM 0 H VAL A 30 0.310 0.667 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 30 1.776 -1.168 0.124 1.00 0.00 H new ATOM 0 HB VAL A 30 0.277 -1.910 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.167 -1.763 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.841 -0.154 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.512 -0.759 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.827 -3.637 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.199 -2.710 -1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.981 -3.392 -0.843 1.00 0.00 H new ATOM 428 N THR A 31 4.139 -0.595 -0.410 1.00 0.00 N ATOM 429 CA THR A 31 5.518 -0.172 -0.616 1.00 0.00 C ATOM 430 C THR A 31 6.331 -1.262 -1.305 1.00 0.00 C ATOM 431 O THR A 31 5.820 -2.347 -1.588 1.00 0.00 O ATOM 432 CB THR A 31 6.198 0.196 0.716 1.00 0.00 C ATOM 433 OG1 THR A 31 5.897 -0.792 1.709 1.00 0.00 O ATOM 434 CG2 THR A 31 5.739 1.563 1.199 1.00 0.00 C ATOM 0 H THR A 31 4.012 -1.264 0.350 1.00 0.00 H new ATOM 0 HA THR A 31 5.485 0.711 -1.254 1.00 0.00 H new ATOM 0 HB THR A 31 7.275 0.229 0.551 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.662 -0.892 2.314 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.233 1.801 2.141 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.995 2.317 0.455 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.659 1.553 1.348 1.00 0.00 H new ATOM 442 N LYS A 32 7.599 -0.969 -1.572 1.00 0.00 N ATOM 443 CA LYS A 32 8.484 -1.925 -2.226 1.00 0.00 C ATOM 444 C LYS A 32 8.696 -3.157 -1.351 1.00 0.00 C ATOM 445 O LYS A 32 8.960 -4.250 -1.854 1.00 0.00 O ATOM 446 CB LYS A 32 9.832 -1.272 -2.539 1.00 0.00 C ATOM 447 CG LYS A 32 9.799 -0.363 -3.755 1.00 0.00 C ATOM 448 CD LYS A 32 10.991 0.579 -3.780 1.00 0.00 C ATOM 449 CE LYS A 32 11.179 1.204 -5.153 1.00 0.00 C ATOM 450 NZ LYS A 32 12.077 0.388 -6.017 1.00 0.00 N ATOM 0 H LYS A 32 8.037 -0.076 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 32 8.014 -2.239 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.157 -0.695 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.576 -2.052 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.793 -0.967 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.876 0.217 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.851 1.365 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.893 0.034 -3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.209 1.313 -5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.594 2.206 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.179 0.848 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.011 0.305 -5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.669 -0.560 -6.144 1.00 0.00 H new ATOM 464 N CYS A 33 8.576 -2.975 -0.041 1.00 0.00 N ATOM 465 CA CYS A 33 8.753 -4.071 0.904 1.00 0.00 C ATOM 466 C CYS A 33 7.478 -4.903 1.016 1.00 0.00 C ATOM 467 O CYS A 33 7.337 -5.721 1.926 1.00 0.00 O ATOM 468 CB CYS A 33 9.144 -3.528 2.280 1.00 0.00 C ATOM 469 SG CYS A 33 8.131 -2.121 2.839 1.00 0.00 S ATOM 0 H CYS A 33 8.357 -2.078 0.391 1.00 0.00 H new ATOM 0 HA CYS A 33 9.553 -4.712 0.534 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.065 -4.332 3.012 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.190 -3.222 2.254 1.00 0.00 H new ATOM 474 N ARG A 34 6.554 -4.688 0.086 1.00 0.00 N ATOM 475 CA ARG A 34 5.291 -5.417 0.081 1.00 0.00 C ATOM 476 C ARG A 34 4.551 -5.231 1.402 1.00 0.00 C ATOM 477 O ARG A 34 4.039 -6.191 1.979 1.00 0.00 O ATOM 478 CB ARG A 34 5.538 -6.905 -0.174 1.00 0.00 C ATOM 479 CG ARG A 34 5.921 -7.222 -1.610 1.00 0.00 C ATOM 480 CD ARG A 34 4.744 -7.034 -2.555 1.00 0.00 C ATOM 481 NE ARG A 34 5.133 -7.203 -3.953 1.00 0.00 N ATOM 482 CZ ARG A 34 4.465 -6.670 -4.970 1.00 0.00 C ATOM 483 NH1 ARG A 34 3.382 -5.939 -4.746 1.00 0.00 N ATOM 484 NH2 ARG A 34 4.881 -6.869 -6.214 1.00 0.00 N ATOM 0 H ARG A 34 6.656 -4.015 -0.674 1.00 0.00 H new ATOM 0 HA ARG A 34 4.672 -5.016 -0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.330 -7.252 0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.638 -7.463 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.744 -6.577 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.280 -8.249 -1.674 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.962 -7.751 -2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.321 -6.039 -2.414 1.00 0.00 H new ATOM 0 HE ARG A 34 5.962 -7.760 -4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.060 -5.785 -3.791 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.871 -5.531 -5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.714 -7.431 -6.389 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.368 -6.460 -6.995 1.00 0.00 H new ATOM 498 N HIS A 35 4.500 -3.991 1.877 1.00 0.00 N ATOM 499 CA HIS A 35 3.823 -3.680 3.131 1.00 0.00 C ATOM 500 C HIS A 35 2.786 -2.579 2.930 1.00 0.00 C ATOM 501 O HIS A 35 2.826 -1.848 1.940 1.00 0.00 O ATOM 502 CB HIS A 35 4.838 -3.252 4.191 1.00 0.00 C ATOM 503 CG HIS A 35 5.639 -4.389 4.748 1.00 0.00 C ATOM 504 ND1 HIS A 35 6.755 -4.208 5.537 1.00 0.00 N ATOM 505 CD2 HIS A 35 5.479 -5.727 4.626 1.00 0.00 C ATOM 506 CE1 HIS A 35 7.247 -5.386 5.876 1.00 0.00 C ATOM 507 NE2 HIS A 35 6.491 -6.325 5.336 1.00 0.00 N ATOM 0 H HIS A 35 4.919 -3.185 1.413 1.00 0.00 H new ATOM 0 HA HIS A 35 3.311 -4.580 3.471 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.517 -2.519 3.756 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.312 -2.755 5.006 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.700 -6.231 4.073 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.119 -5.553 6.490 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.635 -7.330 5.431 1.00 0.00 H new ATOM 515 N TYR A 36 1.857 -2.468 3.873 1.00 0.00 N ATOM 516 CA TYR A 36 0.807 -1.459 3.797 1.00 0.00 C ATOM 517 C TYR A 36 0.792 -0.594 5.054 1.00 0.00 C ATOM 518 O TYR A 36 1.055 -1.074 6.156 1.00 0.00 O ATOM 519 CB TYR A 36 -0.556 -2.125 3.607 1.00 0.00 C ATOM 520 CG TYR A 36 -0.524 -3.316 2.676 1.00 0.00 C ATOM 521 CD1 TYR A 36 -0.416 -3.145 1.301 1.00 0.00 C ATOM 522 CD2 TYR A 36 -0.602 -4.612 3.170 1.00 0.00 C ATOM 523 CE1 TYR A 36 -0.386 -4.230 0.446 1.00 0.00 C ATOM 524 CE2 TYR A 36 -0.572 -5.703 2.323 1.00 0.00 C ATOM 525 CZ TYR A 36 -0.464 -5.507 0.962 1.00 0.00 C ATOM 526 OH TYR A 36 -0.435 -6.590 0.114 1.00 0.00 O ATOM 0 H TYR A 36 1.810 -3.064 4.699 1.00 0.00 H new ATOM 0 HA TYR A 36 1.014 -0.819 2.939 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.934 -2.444 4.578 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.259 -1.389 3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.354 -2.147 0.894 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.688 -4.769 4.235 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.302 -4.079 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.633 -6.704 2.724 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.498 -7.417 0.637 1.00 0.00 H new ATOM 536 N PHE A 37 0.481 0.686 4.878 1.00 0.00 N ATOM 537 CA PHE A 37 0.431 1.621 5.997 1.00 0.00 C ATOM 538 C PHE A 37 -0.536 2.765 5.706 1.00 0.00 C ATOM 539 O PHE A 37 -0.646 3.227 4.570 1.00 0.00 O ATOM 540 CB PHE A 37 1.827 2.179 6.285 1.00 0.00 C ATOM 541 CG PHE A 37 2.932 1.200 6.010 1.00 0.00 C ATOM 542 CD1 PHE A 37 3.153 0.727 4.727 1.00 0.00 C ATOM 543 CD2 PHE A 37 3.751 0.753 7.035 1.00 0.00 C ATOM 544 CE1 PHE A 37 4.170 -0.173 4.470 1.00 0.00 C ATOM 545 CE2 PHE A 37 4.769 -0.147 6.784 1.00 0.00 C ATOM 546 CZ PHE A 37 4.978 -0.611 5.500 1.00 0.00 C ATOM 0 H PHE A 37 0.260 1.100 3.972 1.00 0.00 H new ATOM 0 HA PHE A 37 0.075 1.081 6.874 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.985 3.072 5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.878 2.488 7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.523 1.066 3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.592 1.112 8.041 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.332 -0.533 3.465 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.401 -0.487 7.591 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.772 -1.315 5.302 1.00 0.00 H new ATOM 556 N CYS A 38 -1.236 3.217 6.742 1.00 0.00 N ATOM 557 CA CYS A 38 -2.195 4.306 6.600 1.00 0.00 C ATOM 558 C CYS A 38 -1.552 5.513 5.925 1.00 0.00 C ATOM 559 O CYS A 38 -0.485 5.971 6.335 1.00 0.00 O ATOM 560 CB CYS A 38 -2.748 4.707 7.969 1.00 0.00 C ATOM 561 SG CYS A 38 -3.353 3.308 8.966 1.00 0.00 S ATOM 0 H CYS A 38 -1.157 2.846 7.689 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.015 3.956 5.973 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.968 5.226 8.526 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.563 5.417 7.826 1.00 0.00 H new ATOM 566 N GLU A 39 -2.208 6.024 4.888 1.00 0.00 N ATOM 567 CA GLU A 39 -1.700 7.178 4.156 1.00 0.00 C ATOM 568 C GLU A 39 -1.105 8.209 5.111 1.00 0.00 C ATOM 569 O GLU A 39 -0.154 8.912 4.768 1.00 0.00 O ATOM 570 CB GLU A 39 -2.817 7.818 3.328 1.00 0.00 C ATOM 571 CG GLU A 39 -2.347 8.975 2.464 1.00 0.00 C ATOM 572 CD GLU A 39 -3.432 10.010 2.234 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.437 9.679 1.572 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.274 11.151 2.717 1.00 0.00 O ATOM 0 H GLU A 39 -3.092 5.657 4.536 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.913 6.833 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.266 7.057 2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.599 8.172 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.489 9.452 2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.007 8.591 1.502 1.00 0.00 H new ATOM 581 N SER A 40 -1.673 8.294 6.309 1.00 0.00 N ATOM 582 CA SER A 40 -1.202 9.242 7.313 1.00 0.00 C ATOM 583 C SER A 40 0.020 8.696 8.045 1.00 0.00 C ATOM 584 O SER A 40 1.017 9.397 8.222 1.00 0.00 O ATOM 585 CB SER A 40 -2.316 9.550 8.316 1.00 0.00 C ATOM 586 OG SER A 40 -3.466 10.057 7.661 1.00 0.00 O ATOM 0 H SER A 40 -2.460 7.718 6.609 1.00 0.00 H new ATOM 0 HA SER A 40 -0.917 10.162 6.803 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.576 8.645 8.865 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.961 10.276 9.048 1.00 0.00 H new ATOM 0 HG SER A 40 -4.164 10.244 8.323 1.00 0.00 H new ATOM 592 N CYS A 41 -0.064 7.439 8.468 1.00 0.00 N ATOM 593 CA CYS A 41 1.033 6.797 9.181 1.00 0.00 C ATOM 594 C CYS A 41 2.300 6.780 8.330 1.00 0.00 C ATOM 595 O CYS A 41 3.391 7.077 8.816 1.00 0.00 O ATOM 596 CB CYS A 41 0.649 5.369 9.572 1.00 0.00 C ATOM 597 SG CYS A 41 -0.499 5.267 10.983 1.00 0.00 S ATOM 0 H CYS A 41 -0.881 6.845 8.329 1.00 0.00 H new ATOM 0 HA CYS A 41 1.231 7.373 10.085 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.195 4.878 8.712 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.555 4.814 9.814 1.00 0.00 H new ATOM 602 N ALA A 42 2.145 6.431 7.057 1.00 0.00 N ATOM 603 CA ALA A 42 3.275 6.377 6.137 1.00 0.00 C ATOM 604 C ALA A 42 3.964 7.734 6.034 1.00 0.00 C ATOM 605 O ALA A 42 5.184 7.833 6.167 1.00 0.00 O ATOM 606 CB ALA A 42 2.815 5.911 4.764 1.00 0.00 C ATOM 0 H ALA A 42 1.248 6.182 6.639 1.00 0.00 H new ATOM 0 HA ALA A 42 3.997 5.661 6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.669 5.875 4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.375 4.917 4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.072 6.606 4.374 1.00 0.00 H new ATOM 612 N LEU A 43 3.175 8.776 5.796 1.00 0.00 N ATOM 613 CA LEU A 43 3.710 10.128 5.675 1.00 0.00 C ATOM 614 C LEU A 43 4.295 10.603 7.001 1.00 0.00 C ATOM 615 O LEU A 43 5.460 10.995 7.070 1.00 0.00 O ATOM 616 CB LEU A 43 2.614 11.091 5.214 1.00 0.00 C ATOM 617 CG LEU A 43 2.002 10.803 3.842 1.00 0.00 C ATOM 618 CD1 LEU A 43 0.741 11.628 3.638 1.00 0.00 C ATOM 619 CD2 LEU A 43 3.010 11.085 2.738 1.00 0.00 C ATOM 0 H LEU A 43 2.163 8.711 5.683 1.00 0.00 H new ATOM 0 HA LEU A 43 4.508 10.112 4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.815 11.082 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.026 12.100 5.201 1.00 0.00 H new ATOM 0 HG LEU A 43 1.733 9.748 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.319 11.411 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.013 11.377 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.986 12.688 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.557 10.874 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.310 12.132 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.886 10.451 2.874 1.00 0.00 H new ATOM 631 N GLU A 44 3.480 10.563 8.050 1.00 0.00 N ATOM 632 CA GLU A 44 3.919 10.989 9.374 1.00 0.00 C ATOM 633 C GLU A 44 5.210 10.279 9.773 1.00 0.00 C ATOM 634 O GLU A 44 6.190 10.919 10.155 1.00 0.00 O ATOM 635 CB GLU A 44 2.829 10.710 10.411 1.00 0.00 C ATOM 636 CG GLU A 44 3.297 10.880 11.847 1.00 0.00 C ATOM 637 CD GLU A 44 4.292 9.816 12.266 1.00 0.00 C ATOM 638 OE1 GLU A 44 3.881 8.647 12.421 1.00 0.00 O ATOM 639 OE2 GLU A 44 5.482 10.152 12.439 1.00 0.00 O ATOM 0 H GLU A 44 2.513 10.240 8.009 1.00 0.00 H new ATOM 0 HA GLU A 44 4.110 12.061 9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.988 11.379 10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.462 9.693 10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.752 11.864 11.963 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.434 10.848 12.513 1.00 0.00 H new ATOM 646 N HIS A 45 5.201 8.953 9.683 1.00 0.00 N ATOM 647 CA HIS A 45 6.371 8.156 10.035 1.00 0.00 C ATOM 648 C HIS A 45 7.548 8.485 9.121 1.00 0.00 C ATOM 649 O HIS A 45 8.690 8.573 9.571 1.00 0.00 O ATOM 650 CB HIS A 45 6.043 6.665 9.947 1.00 0.00 C ATOM 651 CG HIS A 45 6.879 5.813 10.853 1.00 0.00 C ATOM 652 ND1 HIS A 45 6.878 5.948 12.225 1.00 0.00 N ATOM 653 CD2 HIS A 45 7.744 4.810 10.575 1.00 0.00 C ATOM 654 CE1 HIS A 45 7.708 5.066 12.752 1.00 0.00 C ATOM 655 NE2 HIS A 45 8.247 4.363 11.772 1.00 0.00 N ATOM 0 H HIS A 45 4.398 8.408 9.370 1.00 0.00 H new ATOM 0 HA HIS A 45 6.651 8.399 11.060 1.00 0.00 H new ATOM 0 HB2 HIS A 45 4.991 6.518 10.192 1.00 0.00 H new ATOM 0 HB3 HIS A 45 6.181 6.331 8.919 1.00 0.00 H new ATOM 0 HD2 HIS A 45 7.992 4.432 9.594 1.00 0.00 H new ATOM 0 HE1 HIS A 45 7.911 4.941 13.805 1.00 0.00 H new ATOM 0 HE2 HIS A 45 8.926 3.611 11.886 1.00 0.00 H new ATOM 663 N PHE A 46 7.261 8.665 7.836 1.00 0.00 N ATOM 664 CA PHE A 46 8.295 8.982 6.859 1.00 0.00 C ATOM 665 C PHE A 46 9.106 10.197 7.301 1.00 0.00 C ATOM 666 O PHE A 46 10.329 10.225 7.157 1.00 0.00 O ATOM 667 CB PHE A 46 7.668 9.244 5.488 1.00 0.00 C ATOM 668 CG PHE A 46 8.609 9.892 4.513 1.00 0.00 C ATOM 669 CD1 PHE A 46 9.811 9.287 4.183 1.00 0.00 C ATOM 670 CD2 PHE A 46 8.291 11.107 3.926 1.00 0.00 C ATOM 671 CE1 PHE A 46 10.679 9.881 3.286 1.00 0.00 C ATOM 672 CE2 PHE A 46 9.155 11.705 3.028 1.00 0.00 C ATOM 673 CZ PHE A 46 10.351 11.091 2.708 1.00 0.00 C ATOM 0 H PHE A 46 6.320 8.597 7.447 1.00 0.00 H new ATOM 0 HA PHE A 46 8.966 8.126 6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 46 7.319 8.300 5.071 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.792 9.881 5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.073 8.340 4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.358 11.592 4.173 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.613 9.399 3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.896 12.651 2.577 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.028 11.557 2.007 1.00 0.00 H new ATOM 683 N ARG A 47 8.417 11.198 7.838 1.00 0.00 N ATOM 684 CA ARG A 47 9.072 12.416 8.299 1.00 0.00 C ATOM 685 C ARG A 47 10.162 12.095 9.317 1.00 0.00 C ATOM 686 O ARG A 47 11.339 12.371 9.088 1.00 0.00 O ATOM 687 CB ARG A 47 8.047 13.369 8.917 1.00 0.00 C ATOM 688 CG ARG A 47 7.042 13.915 7.915 1.00 0.00 C ATOM 689 CD ARG A 47 6.080 14.894 8.570 1.00 0.00 C ATOM 690 NE ARG A 47 5.344 15.680 7.583 1.00 0.00 N ATOM 691 CZ ARG A 47 4.342 15.197 6.858 1.00 0.00 C ATOM 692 NH1 ARG A 47 3.957 13.937 7.007 1.00 0.00 N ATOM 693 NH2 ARG A 47 3.721 15.975 5.980 1.00 0.00 N ATOM 0 H ARG A 47 7.405 11.190 7.965 1.00 0.00 H new ATOM 0 HA ARG A 47 9.534 12.899 7.438 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.510 12.848 9.710 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.573 14.203 9.383 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.571 14.412 7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.481 13.091 7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.375 14.346 9.196 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.635 15.564 9.226 1.00 0.00 H new ATOM 0 HE ARG A 47 5.615 16.653 7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.431 13.335 7.680 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.187 13.570 6.448 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.013 16.945 5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.951 15.603 5.424 1.00 0.00 H new ATOM 707 N ALA A 48 9.761 11.510 10.441 1.00 0.00 N ATOM 708 CA ALA A 48 10.704 11.151 11.493 1.00 0.00 C ATOM 709 C ALA A 48 11.728 10.139 10.990 1.00 0.00 C ATOM 710 O ALA A 48 12.934 10.378 11.052 1.00 0.00 O ATOM 711 CB ALA A 48 9.961 10.597 12.701 1.00 0.00 C ATOM 0 H ALA A 48 8.790 11.275 10.646 1.00 0.00 H new ATOM 0 HA ALA A 48 11.239 12.053 11.791 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.677 10.333 13.479 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.273 11.351 13.082 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.400 9.709 12.408 1.00 0.00 H new ATOM 717 N THR A 49 11.240 9.007 10.493 1.00 0.00 N ATOM 718 CA THR A 49 12.112 7.958 9.981 1.00 0.00 C ATOM 719 C THR A 49 11.894 7.741 8.488 1.00 0.00 C ATOM 720 O THR A 49 10.809 7.366 8.043 1.00 0.00 O ATOM 721 CB THR A 49 11.884 6.626 10.721 1.00 0.00 C ATOM 722 OG1 THR A 49 12.644 5.584 10.100 1.00 0.00 O ATOM 723 CG2 THR A 49 10.409 6.253 10.721 1.00 0.00 C ATOM 0 H THR A 49 10.244 8.793 10.434 1.00 0.00 H new ATOM 0 HA THR A 49 13.137 8.289 10.151 1.00 0.00 H new ATOM 0 HB THR A 49 12.212 6.749 11.753 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.495 4.741 10.577 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.272 5.309 11.249 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.836 7.034 11.220 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.060 6.148 9.694 1.00 0.00 H new ATOM 731 N PRO A 50 12.948 7.980 7.694 1.00 0.00 N ATOM 732 CA PRO A 50 12.897 7.816 6.239 1.00 0.00 C ATOM 733 C PRO A 50 12.792 6.352 5.824 1.00 0.00 C ATOM 734 O PRO A 50 12.793 6.033 4.635 1.00 0.00 O ATOM 735 CB PRO A 50 14.225 8.412 5.767 1.00 0.00 C ATOM 736 CG PRO A 50 15.138 8.276 6.937 1.00 0.00 C ATOM 737 CD PRO A 50 14.272 8.429 8.157 1.00 0.00 C ATOM 0 HA PRO A 50 12.021 8.298 5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.612 7.879 4.899 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.109 9.456 5.474 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.638 7.307 6.932 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.918 9.037 6.914 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.635 7.822 8.986 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.247 9.462 8.505 1.00 0.00 H new ATOM 745 N ARG A 51 12.703 5.467 6.811 1.00 0.00 N ATOM 746 CA ARG A 51 12.599 4.037 6.548 1.00 0.00 C ATOM 747 C ARG A 51 11.243 3.499 6.997 1.00 0.00 C ATOM 748 O ARG A 51 10.433 4.227 7.570 1.00 0.00 O ATOM 749 CB ARG A 51 13.721 3.282 7.262 1.00 0.00 C ATOM 750 CG ARG A 51 15.111 3.798 6.928 1.00 0.00 C ATOM 751 CD ARG A 51 16.172 2.736 7.167 1.00 0.00 C ATOM 752 NE ARG A 51 17.504 3.317 7.319 1.00 0.00 N ATOM 753 CZ ARG A 51 17.963 3.811 8.463 1.00 0.00 C ATOM 754 NH1 ARG A 51 17.203 3.795 9.549 1.00 0.00 N ATOM 755 NH2 ARG A 51 19.186 4.323 8.522 1.00 0.00 N ATOM 0 H ARG A 51 12.701 5.715 7.800 1.00 0.00 H new ATOM 0 HA ARG A 51 12.694 3.883 5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.566 3.351 8.339 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.662 2.226 6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 51 15.141 4.116 5.886 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.330 4.676 7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.920 2.167 8.062 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.176 2.034 6.334 1.00 0.00 H new ATOM 0 HE ARG A 51 18.114 3.345 6.502 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.263 3.402 9.508 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.559 4.175 10.426 1.00 0.00 H new ATOM 0 HH21 ARG A 51 19.774 4.337 7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 51 19.538 4.702 9.401 1.00 0.00 H new ATOM 769 N CYS A 52 11.004 2.219 6.732 1.00 0.00 N ATOM 770 CA CYS A 52 9.747 1.582 7.108 1.00 0.00 C ATOM 771 C CYS A 52 9.619 1.483 8.625 1.00 0.00 C ATOM 772 O CYS A 52 10.573 1.746 9.357 1.00 0.00 O ATOM 773 CB CYS A 52 9.652 0.188 6.485 1.00 0.00 C ATOM 774 SG CYS A 52 7.972 -0.517 6.493 1.00 0.00 S ATOM 0 H CYS A 52 11.664 1.602 6.258 1.00 0.00 H new ATOM 0 HA CYS A 52 8.930 2.198 6.732 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.009 0.236 5.456 1.00 0.00 H new ATOM 0 HB3 CYS A 52 10.320 -0.485 7.023 1.00 0.00 H new ATOM 779 N TYR A 53 8.434 1.103 9.090 1.00 0.00 N ATOM 780 CA TYR A 53 8.180 0.972 10.519 1.00 0.00 C ATOM 781 C TYR A 53 8.233 -0.491 10.950 1.00 0.00 C ATOM 782 O TYR A 53 8.437 -0.797 12.125 1.00 0.00 O ATOM 783 CB TYR A 53 6.818 1.570 10.874 1.00 0.00 C ATOM 784 CG TYR A 53 6.328 1.186 12.252 1.00 0.00 C ATOM 785 CD1 TYR A 53 6.697 1.922 13.371 1.00 0.00 C ATOM 786 CD2 TYR A 53 5.497 0.088 12.434 1.00 0.00 C ATOM 787 CE1 TYR A 53 6.252 1.575 14.632 1.00 0.00 C ATOM 788 CE2 TYR A 53 5.046 -0.266 13.691 1.00 0.00 C ATOM 789 CZ TYR A 53 5.426 0.480 14.787 1.00 0.00 C ATOM 790 OH TYR A 53 4.981 0.130 16.041 1.00 0.00 O ATOM 0 H TYR A 53 7.634 0.880 8.497 1.00 0.00 H new ATOM 0 HA TYR A 53 8.959 1.518 11.051 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.880 2.656 10.809 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.085 1.248 10.134 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.343 2.780 13.253 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.198 -0.499 11.578 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.549 2.157 15.492 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.399 -1.122 13.815 1.00 0.00 H new ATOM 0 HH TYR A 53 4.408 -0.663 15.976 1.00 0.00 H new ATOM 800 N ILE A 54 8.048 -1.391 9.989 1.00 0.00 N ATOM 801 CA ILE A 54 8.076 -2.821 10.267 1.00 0.00 C ATOM 802 C ILE A 54 9.408 -3.436 9.850 1.00 0.00 C ATOM 803 O ILE A 54 10.101 -4.052 10.661 1.00 0.00 O ATOM 804 CB ILE A 54 6.934 -3.558 9.543 1.00 0.00 C ATOM 805 CG1 ILE A 54 5.598 -3.276 10.233 1.00 0.00 C ATOM 806 CG2 ILE A 54 7.210 -5.054 9.503 1.00 0.00 C ATOM 807 CD1 ILE A 54 4.408 -3.872 9.513 1.00 0.00 C ATOM 0 H ILE A 54 7.877 -1.154 9.012 1.00 0.00 H new ATOM 0 HA ILE A 54 7.946 -2.936 11.343 1.00 0.00 H new ATOM 0 HB ILE A 54 6.877 -3.191 8.518 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.633 -3.670 11.249 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.461 -2.198 10.314 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.394 -5.561 8.988 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.144 -5.238 8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.290 -5.437 10.521 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.495 -3.632 10.058 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.348 -3.459 8.506 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.522 -4.954 9.455 1.00 0.00 H new ATOM 819 N CYS A 55 9.761 -3.264 8.581 1.00 0.00 N ATOM 820 CA CYS A 55 11.010 -3.800 8.055 1.00 0.00 C ATOM 821 C CYS A 55 12.136 -2.777 8.177 1.00 0.00 C ATOM 822 O CYS A 55 13.308 -3.103 7.987 1.00 0.00 O ATOM 823 CB CYS A 55 10.837 -4.211 6.591 1.00 0.00 C ATOM 824 SG CYS A 55 10.492 -2.822 5.465 1.00 0.00 S ATOM 0 H CYS A 55 9.199 -2.757 7.897 1.00 0.00 H new ATOM 0 HA CYS A 55 11.275 -4.678 8.644 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.742 -4.719 6.258 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.023 -4.932 6.521 1.00 0.00 H new ATOM 829 N ASP A 56 11.771 -1.540 8.496 1.00 0.00 N ATOM 830 CA ASP A 56 12.750 -0.469 8.646 1.00 0.00 C ATOM 831 C ASP A 56 13.673 -0.403 7.433 1.00 0.00 C ATOM 832 O ASP A 56 14.893 -0.327 7.574 1.00 0.00 O ATOM 833 CB ASP A 56 13.573 -0.676 9.918 1.00 0.00 C ATOM 834 CG ASP A 56 12.706 -0.960 11.129 1.00 0.00 C ATOM 835 OD1 ASP A 56 11.487 -0.694 11.062 1.00 0.00 O ATOM 836 OD2 ASP A 56 13.246 -1.450 12.143 1.00 0.00 O ATOM 0 H ASP A 56 10.805 -1.254 8.656 1.00 0.00 H new ATOM 0 HA ASP A 56 12.211 0.475 8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.266 -1.504 9.768 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.175 0.213 10.106 1.00 0.00 H new ATOM 841 N GLN A 57 13.081 -0.434 6.243 1.00 0.00 N ATOM 842 CA GLN A 57 13.851 -0.379 5.006 1.00 0.00 C ATOM 843 C GLN A 57 13.797 1.016 4.392 1.00 0.00 C ATOM 844 O GLN A 57 12.877 1.795 4.643 1.00 0.00 O ATOM 845 CB GLN A 57 13.325 -1.411 4.007 1.00 0.00 C ATOM 846 CG GLN A 57 13.851 -2.816 4.248 1.00 0.00 C ATOM 847 CD GLN A 57 13.965 -3.624 2.971 1.00 0.00 C ATOM 848 OE1 GLN A 57 14.840 -4.481 2.840 1.00 0.00 O ATOM 849 NE2 GLN A 57 13.079 -3.355 2.019 1.00 0.00 N ATOM 0 H GLN A 57 12.072 -0.497 6.110 1.00 0.00 H new ATOM 0 HA GLN A 57 14.889 -0.610 5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.236 -1.427 4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.596 -1.099 2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.830 -2.757 4.724 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.189 -3.333 4.943 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.371 -2.637 2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.107 -3.867 1.137 1.00 0.00 H new ATOM 858 N PRO A 58 14.804 1.340 3.568 1.00 0.00 N ATOM 859 CA PRO A 58 14.893 2.642 2.901 1.00 0.00 C ATOM 860 C PRO A 58 13.827 2.816 1.825 1.00 0.00 C ATOM 861 O PRO A 58 14.037 2.460 0.665 1.00 0.00 O ATOM 862 CB PRO A 58 16.289 2.624 2.273 1.00 0.00 C ATOM 863 CG PRO A 58 16.601 1.180 2.085 1.00 0.00 C ATOM 864 CD PRO A 58 15.934 0.460 3.224 1.00 0.00 C ATOM 0 HA PRO A 58 14.733 3.467 3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.303 3.159 1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.021 3.106 2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.228 0.822 1.125 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.678 1.009 2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.595 -0.533 2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.611 0.327 4.068 1.00 0.00 H new ATOM 872 N THR A 59 12.682 3.367 2.216 1.00 0.00 N ATOM 873 CA THR A 59 11.583 3.587 1.285 1.00 0.00 C ATOM 874 C THR A 59 11.937 4.659 0.260 1.00 0.00 C ATOM 875 O THR A 59 11.611 4.535 -0.920 1.00 0.00 O ATOM 876 CB THR A 59 10.297 4.005 2.023 1.00 0.00 C ATOM 877 OG1 THR A 59 10.537 5.184 2.799 1.00 0.00 O ATOM 878 CG2 THR A 59 9.806 2.886 2.930 1.00 0.00 C ATOM 0 H THR A 59 12.492 3.669 3.172 1.00 0.00 H new ATOM 0 HA THR A 59 11.409 2.641 0.773 1.00 0.00 H new ATOM 0 HB THR A 59 9.529 4.212 1.278 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.714 5.443 3.263 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.897 3.204 3.441 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.595 1.999 2.332 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.574 2.652 3.668 1.00 0.00 H new ATOM 886 N GLY A 60 12.607 5.712 0.719 1.00 0.00 N ATOM 887 CA GLY A 60 12.995 6.789 -0.172 1.00 0.00 C ATOM 888 C GLY A 60 11.814 7.633 -0.611 1.00 0.00 C ATOM 889 O GLY A 60 11.763 8.097 -1.749 1.00 0.00 O ATOM 0 H GLY A 60 12.888 5.838 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.726 7.425 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.485 6.370 -1.051 1.00 0.00 H new ATOM 893 N GLY A 61 10.860 7.830 0.294 1.00 0.00 N ATOM 894 CA GLY A 61 9.686 8.621 -0.025 1.00 0.00 C ATOM 895 C GLY A 61 8.871 8.019 -1.152 1.00 0.00 C ATOM 896 O GLY A 61 8.359 8.739 -2.010 1.00 0.00 O ATOM 0 H GLY A 61 10.879 7.456 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.061 8.712 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.995 9.629 -0.302 1.00 0.00 H new ATOM 900 N ILE A 62 8.751 6.696 -1.152 1.00 0.00 N ATOM 901 CA ILE A 62 7.992 5.998 -2.183 1.00 0.00 C ATOM 902 C ILE A 62 6.785 5.282 -1.588 1.00 0.00 C ATOM 903 O ILE A 62 6.916 4.494 -0.652 1.00 0.00 O ATOM 904 CB ILE A 62 8.867 4.972 -2.929 1.00 0.00 C ATOM 905 CG1 ILE A 62 10.091 5.660 -3.537 1.00 0.00 C ATOM 906 CG2 ILE A 62 8.056 4.270 -4.007 1.00 0.00 C ATOM 907 CD1 ILE A 62 11.143 4.693 -4.032 1.00 0.00 C ATOM 0 H ILE A 62 9.169 6.086 -0.450 1.00 0.00 H new ATOM 0 HA ILE A 62 7.650 6.755 -2.889 1.00 0.00 H new ATOM 0 HB ILE A 62 9.212 4.223 -2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.769 6.290 -4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.536 6.318 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.687 3.548 -4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.213 3.752 -3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.685 5.006 -4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.981 5.250 -4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 62 11.493 4.080 -3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.714 4.051 -4.802 1.00 0.00 H new ATOM 919 N PHE A 63 5.608 5.561 -2.138 1.00 0.00 N ATOM 920 CA PHE A 63 4.376 4.943 -1.663 1.00 0.00 C ATOM 921 C PHE A 63 3.382 4.761 -2.806 1.00 0.00 C ATOM 922 O PHE A 63 2.908 5.734 -3.392 1.00 0.00 O ATOM 923 CB PHE A 63 3.747 5.794 -0.557 1.00 0.00 C ATOM 924 CG PHE A 63 4.663 6.032 0.610 1.00 0.00 C ATOM 925 CD1 PHE A 63 4.808 5.074 1.600 1.00 0.00 C ATOM 926 CD2 PHE A 63 5.379 7.214 0.715 1.00 0.00 C ATOM 927 CE1 PHE A 63 5.650 5.291 2.675 1.00 0.00 C ATOM 928 CE2 PHE A 63 6.223 7.436 1.788 1.00 0.00 C ATOM 929 CZ PHE A 63 6.359 6.473 2.768 1.00 0.00 C ATOM 0 H PHE A 63 5.482 6.211 -2.913 1.00 0.00 H new ATOM 0 HA PHE A 63 4.624 3.961 -1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.447 6.755 -0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.840 5.303 -0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.257 4.147 1.531 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.277 7.970 -0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.753 4.537 3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.775 8.362 1.859 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.019 6.644 3.606 1.00 0.00 H new ATOM 939 N ASN A 64 3.072 3.507 -3.118 1.00 0.00 N ATOM 940 CA ASN A 64 2.135 3.196 -4.192 1.00 0.00 C ATOM 941 C ASN A 64 0.743 2.916 -3.636 1.00 0.00 C ATOM 942 O ASN A 64 0.582 2.362 -2.548 1.00 0.00 O ATOM 943 CB ASN A 64 2.629 1.989 -4.993 1.00 0.00 C ATOM 944 CG ASN A 64 4.106 2.080 -5.326 1.00 0.00 C ATOM 945 OD1 ASN A 64 4.486 2.585 -6.382 1.00 0.00 O ATOM 946 ND2 ASN A 64 4.946 1.590 -4.422 1.00 0.00 N ATOM 0 H ASN A 64 3.456 2.690 -2.643 1.00 0.00 H new ATOM 0 HA ASN A 64 2.075 4.062 -4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.443 1.078 -4.424 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.055 1.910 -5.917 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.952 1.623 -4.589 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.586 1.180 -3.560 1.00 0.00 H new ATOM 953 N PRO A 65 -0.289 3.306 -4.399 1.00 0.00 N ATOM 954 CA PRO A 65 -1.686 3.106 -4.003 1.00 0.00 C ATOM 955 C PRO A 65 -2.093 1.637 -4.033 1.00 0.00 C ATOM 956 O PRO A 65 -1.966 0.969 -5.059 1.00 0.00 O ATOM 957 CB PRO A 65 -2.469 3.899 -5.053 1.00 0.00 C ATOM 958 CG PRO A 65 -1.575 3.936 -6.244 1.00 0.00 C ATOM 959 CD PRO A 65 -0.171 3.972 -5.707 1.00 0.00 C ATOM 0 HA PRO A 65 -1.869 3.431 -2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.419 3.417 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.699 4.904 -4.700 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.729 3.061 -6.875 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.780 4.812 -6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.524 3.448 -6.363 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.195 4.994 -5.606 1.00 0.00 H new ATOM 967 N ALA A 66 -2.583 1.140 -2.902 1.00 0.00 N ATOM 968 CA ALA A 66 -3.011 -0.249 -2.800 1.00 0.00 C ATOM 969 C ALA A 66 -4.531 -0.362 -2.859 1.00 0.00 C ATOM 970 O ALA A 66 -5.134 -1.150 -2.131 1.00 0.00 O ATOM 971 CB ALA A 66 -2.483 -0.871 -1.516 1.00 0.00 C ATOM 0 H ALA A 66 -2.693 1.679 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.600 -0.793 -3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.810 -1.909 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.394 -0.834 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.866 -0.317 -0.659 1.00 0.00 H new ATOM 977 N LYS A 67 -5.145 0.433 -3.729 1.00 0.00 N ATOM 978 CA LYS A 67 -6.595 0.423 -3.884 1.00 0.00 C ATOM 979 C LYS A 67 -7.106 -0.993 -4.130 1.00 0.00 C ATOM 980 O LYS A 67 -8.121 -1.402 -3.567 1.00 0.00 O ATOM 981 CB LYS A 67 -7.011 1.335 -5.039 1.00 0.00 C ATOM 982 CG LYS A 67 -6.327 1.003 -6.354 1.00 0.00 C ATOM 983 CD LYS A 67 -6.281 2.207 -7.280 1.00 0.00 C ATOM 984 CE LYS A 67 -7.561 2.334 -8.092 1.00 0.00 C ATOM 985 NZ LYS A 67 -7.464 3.412 -9.114 1.00 0.00 N ATOM 0 H LYS A 67 -4.661 1.093 -4.338 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.037 0.794 -2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.091 1.267 -5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.787 2.368 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.313 0.654 -6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.857 0.186 -6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.129 3.113 -6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.429 2.117 -7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.775 1.385 -8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.396 2.542 -7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.356 3.467 -9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.285 4.322 -8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.683 3.201 -9.768 1.00 0.00 H new ATOM 999 N GLU A 68 -6.395 -1.736 -4.973 1.00 0.00 N ATOM 1000 CA GLU A 68 -6.778 -3.106 -5.292 1.00 0.00 C ATOM 1001 C GLU A 68 -6.774 -3.978 -4.039 1.00 0.00 C ATOM 1002 O GLU A 68 -7.739 -4.691 -3.762 1.00 0.00 O ATOM 1003 CB GLU A 68 -5.830 -3.694 -6.339 1.00 0.00 C ATOM 1004 CG GLU A 68 -4.380 -3.746 -5.885 1.00 0.00 C ATOM 1005 CD GLU A 68 -3.415 -3.942 -7.038 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -3.362 -3.062 -7.923 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -2.713 -4.975 -7.057 1.00 0.00 O ATOM 0 H GLU A 68 -5.552 -1.412 -5.447 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.789 -3.088 -5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.160 -4.702 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.896 -3.100 -7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.133 -2.822 -5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.256 -4.559 -5.170 1.00 0.00 H new ATOM 1014 N LEU A 69 -5.682 -3.915 -3.286 1.00 0.00 N ATOM 1015 CA LEU A 69 -5.551 -4.699 -2.062 1.00 0.00 C ATOM 1016 C LEU A 69 -6.819 -4.609 -1.219 1.00 0.00 C ATOM 1017 O LEU A 69 -7.328 -5.621 -0.738 1.00 0.00 O ATOM 1018 CB LEU A 69 -4.349 -4.214 -1.249 1.00 0.00 C ATOM 1019 CG LEU A 69 -4.345 -4.590 0.233 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -3.865 -6.021 0.418 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -3.475 -3.627 1.026 1.00 0.00 C ATOM 0 H LEU A 69 -4.875 -3.330 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.396 -5.741 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.443 -4.611 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.297 -3.128 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.366 -4.519 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.869 -6.272 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.529 -6.700 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.853 -6.119 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.484 -3.910 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.453 -3.665 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.863 -2.614 0.920 1.00 0.00 H new ATOM 1033 N MET A 70 -7.324 -3.392 -1.048 1.00 0.00 N ATOM 1034 CA MET A 70 -8.535 -3.172 -0.266 1.00 0.00 C ATOM 1035 C MET A 70 -9.742 -3.820 -0.937 1.00 0.00 C ATOM 1036 O MET A 70 -10.586 -4.419 -0.272 1.00 0.00 O ATOM 1037 CB MET A 70 -8.784 -1.673 -0.083 1.00 0.00 C ATOM 1038 CG MET A 70 -7.796 -1.004 0.859 1.00 0.00 C ATOM 1039 SD MET A 70 -7.883 -1.660 2.537 1.00 0.00 S ATOM 1040 CE MET A 70 -6.238 -2.346 2.717 1.00 0.00 C ATOM 0 H MET A 70 -6.914 -2.544 -1.440 1.00 0.00 H new ATOM 0 HA MET A 70 -8.394 -3.633 0.712 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.735 -1.183 -1.056 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.794 -1.525 0.298 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.785 -1.137 0.473 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.990 0.068 0.882 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.937 -2.300 3.764 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.238 -3.384 2.385 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.536 -1.772 2.112 1.00 0.00 H new ATOM 1050 N ALA A 71 -9.815 -3.697 -2.259 1.00 0.00 N ATOM 1051 CA ALA A 71 -10.917 -4.273 -3.019 1.00 0.00 C ATOM 1052 C ALA A 71 -11.128 -5.739 -2.657 1.00 0.00 C ATOM 1053 O ALA A 71 -12.261 -6.193 -2.496 1.00 0.00 O ATOM 1054 CB ALA A 71 -10.661 -4.128 -4.512 1.00 0.00 C ATOM 0 H ALA A 71 -9.124 -3.204 -2.825 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.826 -3.729 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.492 -4.563 -5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.569 -3.072 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.739 -4.646 -4.775 1.00 0.00 H new ATOM 1060 N LYS A 72 -10.029 -6.476 -2.529 1.00 0.00 N ATOM 1061 CA LYS A 72 -10.092 -7.891 -2.185 1.00 0.00 C ATOM 1062 C LYS A 72 -10.768 -8.092 -0.833 1.00 0.00 C ATOM 1063 O LYS A 72 -11.711 -8.875 -0.709 1.00 0.00 O ATOM 1064 CB LYS A 72 -8.686 -8.494 -2.159 1.00 0.00 C ATOM 1065 CG LYS A 72 -8.129 -8.800 -3.539 1.00 0.00 C ATOM 1066 CD LYS A 72 -7.058 -9.875 -3.482 1.00 0.00 C ATOM 1067 CE LYS A 72 -6.318 -9.995 -4.805 1.00 0.00 C ATOM 1068 NZ LYS A 72 -5.693 -11.337 -4.972 1.00 0.00 N ATOM 0 H LYS A 72 -9.084 -6.116 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.684 -8.399 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.013 -7.804 -1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.705 -9.412 -1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.937 -9.125 -4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.711 -7.892 -3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.349 -9.642 -2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.515 -10.832 -3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.011 -9.812 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.547 -9.226 -4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.198 -11.378 -5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.013 -11.501 -4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.431 -12.069 -4.944 1.00 0.00 H new ATOM 1082 N LEU A 73 -10.282 -7.380 0.178 1.00 0.00 N ATOM 1083 CA LEU A 73 -10.841 -7.480 1.522 1.00 0.00 C ATOM 1084 C LEU A 73 -12.346 -7.233 1.506 1.00 0.00 C ATOM 1085 O LEU A 73 -13.108 -7.946 2.159 1.00 0.00 O ATOM 1086 CB LEU A 73 -10.159 -6.477 2.455 1.00 0.00 C ATOM 1087 CG LEU A 73 -8.654 -6.660 2.652 1.00 0.00 C ATOM 1088 CD1 LEU A 73 -8.015 -5.362 3.119 1.00 0.00 C ATOM 1089 CD2 LEU A 73 -8.378 -7.780 3.644 1.00 0.00 C ATOM 0 H LEU A 73 -9.503 -6.728 0.093 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.661 -8.490 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.335 -5.473 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.642 -6.532 3.430 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.212 -6.934 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.944 -5.512 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.182 -4.585 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.461 -5.057 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.302 -7.896 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.833 -7.536 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.801 -8.712 3.268 1.00 0.00 H new ATOM 1101 N GLN A 74 -12.767 -6.222 0.753 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.182 -5.884 0.651 1.00 0.00 C ATOM 1103 C GLN A 74 -14.442 -4.993 -0.559 1.00 0.00 C ATOM 1104 O GLN A 74 -13.591 -4.195 -0.951 1.00 0.00 O ATOM 1105 CB GLN A 74 -14.654 -5.182 1.926 1.00 0.00 C ATOM 1106 CG GLN A 74 -16.166 -5.077 2.039 1.00 0.00 C ATOM 1107 CD GLN A 74 -16.605 -4.044 3.057 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -16.168 -4.065 4.208 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -17.474 -3.131 2.637 1.00 0.00 N ATOM 0 H GLN A 74 -12.149 -5.623 0.205 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.743 -6.810 0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.270 -5.722 2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.225 -4.180 1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.582 -4.821 1.065 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.574 -6.049 2.315 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.810 -3.151 1.674 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -17.805 -2.410 3.277 1.00 0.00 H new ATOM 1118 N LYS A 75 -15.625 -5.135 -1.149 1.00 0.00 N ATOM 1119 CA LYS A 75 -15.999 -4.343 -2.315 1.00 0.00 C ATOM 1120 C LYS A 75 -16.346 -2.914 -1.913 1.00 0.00 C ATOM 1121 O LYS A 75 -17.333 -2.677 -1.215 1.00 0.00 O ATOM 1122 CB LYS A 75 -17.188 -4.986 -3.032 1.00 0.00 C ATOM 1123 CG LYS A 75 -16.972 -6.449 -3.378 1.00 0.00 C ATOM 1124 CD LYS A 75 -15.876 -6.621 -4.417 1.00 0.00 C ATOM 1125 CE LYS A 75 -16.341 -6.180 -5.796 1.00 0.00 C ATOM 1126 NZ LYS A 75 -15.409 -6.632 -6.866 1.00 0.00 N ATOM 0 H LYS A 75 -16.341 -5.792 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.146 -4.313 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.073 -4.897 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.392 -4.431 -3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.710 -7.002 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.902 -6.876 -3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.001 -6.041 -4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.568 -7.666 -4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.337 -6.580 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.423 -5.093 -5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.761 -6.312 -7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.465 -6.230 -6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.350 -7.670 -6.859 1.00 0.00 H new ATOM 1140 N SER A 76 -15.531 -1.964 -2.358 1.00 0.00 N ATOM 1141 CA SER A 76 -15.751 -0.557 -2.042 1.00 0.00 C ATOM 1142 C SER A 76 -16.497 0.143 -3.174 1.00 0.00 C ATOM 1143 O SER A 76 -15.976 0.293 -4.278 1.00 0.00 O ATOM 1144 CB SER A 76 -14.416 0.145 -1.786 1.00 0.00 C ATOM 1145 OG SER A 76 -13.885 -0.215 -0.522 1.00 0.00 O ATOM 0 H SER A 76 -14.712 -2.142 -2.939 1.00 0.00 H new ATOM 0 HA SER A 76 -16.360 -0.504 -1.140 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.707 -0.119 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.555 1.225 -1.831 1.00 0.00 H new ATOM 0 HG SER A 76 -13.031 0.245 -0.383 1.00 0.00 H new ATOM 1151 N GLY A 77 -17.724 0.570 -2.890 1.00 0.00 N ATOM 1152 CA GLY A 77 -18.524 1.249 -3.892 1.00 0.00 C ATOM 1153 C GLY A 77 -18.415 2.758 -3.796 1.00 0.00 C ATOM 1154 O GLY A 77 -18.871 3.375 -2.832 1.00 0.00 O ATOM 0 H GLY A 77 -18.178 0.458 -1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -18.208 0.927 -4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -19.568 0.955 -3.779 1.00 0.00 H new ATOM 1158 N PRO A 78 -17.798 3.377 -4.813 1.00 0.00 N ATOM 1159 CA PRO A 78 -17.615 4.831 -4.862 1.00 0.00 C ATOM 1160 C PRO A 78 -18.929 5.573 -5.079 1.00 0.00 C ATOM 1161 O PRO A 78 -18.960 6.803 -5.112 1.00 0.00 O ATOM 1162 CB PRO A 78 -16.683 5.031 -6.059 1.00 0.00 C ATOM 1163 CG PRO A 78 -16.920 3.844 -6.927 1.00 0.00 C ATOM 1164 CD PRO A 78 -17.230 2.705 -5.994 1.00 0.00 C ATOM 0 HA PRO A 78 -17.218 5.224 -3.926 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.909 5.958 -6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -15.641 5.089 -5.744 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -17.747 4.022 -7.614 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -16.042 3.623 -7.535 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -17.938 2.004 -6.437 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.335 2.137 -5.741 1.00 0.00 H new ATOM 1172 N SER A 79 -20.013 4.818 -5.228 1.00 0.00 N ATOM 1173 CA SER A 79 -21.330 5.405 -5.446 1.00 0.00 C ATOM 1174 C SER A 79 -21.842 6.077 -4.176 1.00 0.00 C ATOM 1175 O SER A 79 -22.267 5.407 -3.234 1.00 0.00 O ATOM 1176 CB SER A 79 -22.320 4.332 -5.904 1.00 0.00 C ATOM 1177 OG SER A 79 -21.854 3.671 -7.068 1.00 0.00 O ATOM 0 H SER A 79 -20.005 3.798 -5.202 1.00 0.00 H new ATOM 0 HA SER A 79 -21.239 6.162 -6.225 1.00 0.00 H new ATOM 0 HB2 SER A 79 -22.469 3.606 -5.105 1.00 0.00 H new ATOM 0 HB3 SER A 79 -23.289 4.789 -6.105 1.00 0.00 H new ATOM 0 HG SER A 79 -22.504 2.989 -7.339 1.00 0.00 H new ATOM 1183 N SER A 80 -21.798 7.405 -4.158 1.00 0.00 N ATOM 1184 CA SER A 80 -22.254 8.169 -3.002 1.00 0.00 C ATOM 1185 C SER A 80 -23.764 8.381 -3.052 1.00 0.00 C ATOM 1186 O SER A 80 -24.489 7.978 -2.144 1.00 0.00 O ATOM 1187 CB SER A 80 -21.540 9.521 -2.945 1.00 0.00 C ATOM 1188 OG SER A 80 -20.133 9.356 -2.978 1.00 0.00 O ATOM 0 H SER A 80 -21.452 7.974 -4.930 1.00 0.00 H new ATOM 0 HA SER A 80 -22.014 7.600 -2.104 1.00 0.00 H new ATOM 0 HB2 SER A 80 -21.857 10.139 -3.785 1.00 0.00 H new ATOM 0 HB3 SER A 80 -21.826 10.049 -2.035 1.00 0.00 H new ATOM 0 HG SER A 80 -19.700 10.234 -2.942 1.00 0.00 H new ATOM 1194 N GLY A 81 -24.231 9.016 -4.123 1.00 0.00 N ATOM 1195 CA GLY A 81 -25.652 9.271 -4.272 1.00 0.00 C ATOM 1196 C GLY A 81 -25.940 10.400 -5.243 1.00 0.00 C ATOM 1197 O GLY A 81 -26.133 10.135 -6.429 1.00 0.00 O ATOM 0 H GLY A 81 -23.651 9.358 -4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -26.147 8.363 -4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -26.078 9.515 -3.299 1.00 0.00 H new TER 1201 GLY A 81 HETATM 1202 ZN ZN A 201 -2.056 3.570 10.929 1.00 0.00 ZN HETATM 1203 ZN ZN A 401 8.212 -2.428 5.189 1.00 0.00 ZN