USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 431 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 48 HIS HE2 : A 48 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.111 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 28:sc= 0.595 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.308 K(o=-0.31,f=-2.1!) USER MOD Single : A 10 SER OG : rot 13:sc= 0.638 USER MOD Single : A 13 GLN : amide:sc= -0.0532 X(o=-0.053,f=-0.15) USER MOD Single : A 16 ASN : amide:sc= -0.0769 K(o=-0.077,f=-2.9!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -68:sc= 1.02 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -5.46! C(o=-5.5!,f=-7.1!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0.064 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 7:sc= 0.39! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 39:sc= 0.606 USER MOD Single : A 63 SER OG : rot 38:sc= 0.092 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.324 -35.434 -18.625 1.00 0.00 N ATOM 2 CA GLY A 1 -37.191 -35.165 -17.206 1.00 0.00 C ATOM 3 C GLY A 1 -37.178 -33.681 -16.896 1.00 0.00 C ATOM 4 O GLY A 1 -37.189 -32.850 -17.804 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.178 -36.004 -18.792 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.401 -34.535 -19.143 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.489 -35.956 -18.959 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.015 -35.638 -16.671 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -36.270 -35.618 -16.838 1.00 0.00 H new ATOM 8 N SER A 2 -37.156 -33.347 -15.609 1.00 0.00 N ATOM 9 CA SER A 2 -37.147 -31.953 -15.182 1.00 0.00 C ATOM 10 C SER A 2 -35.840 -31.610 -14.473 1.00 0.00 C ATOM 11 O SER A 2 -35.713 -31.788 -13.262 1.00 0.00 O ATOM 12 CB SER A 2 -38.332 -31.674 -14.255 1.00 0.00 C ATOM 13 OG SER A 2 -38.539 -30.281 -14.098 1.00 0.00 O ATOM 0 H SER A 2 -37.144 -34.023 -14.845 1.00 0.00 H new ATOM 0 HA SER A 2 -37.234 -31.326 -16.070 1.00 0.00 H new ATOM 0 HB2 SER A 2 -39.232 -32.135 -14.661 1.00 0.00 H new ATOM 0 HB3 SER A 2 -38.152 -32.130 -13.282 1.00 0.00 H new ATOM 0 HG SER A 2 -39.302 -30.129 -13.503 1.00 0.00 H new ATOM 19 N SER A 3 -34.871 -31.118 -15.238 1.00 0.00 N ATOM 20 CA SER A 3 -33.571 -30.754 -14.685 1.00 0.00 C ATOM 21 C SER A 3 -33.485 -29.250 -14.446 1.00 0.00 C ATOM 22 O SER A 3 -33.999 -28.454 -15.232 1.00 0.00 O ATOM 23 CB SER A 3 -32.450 -31.197 -15.627 1.00 0.00 C ATOM 24 OG SER A 3 -31.233 -31.374 -14.923 1.00 0.00 O ATOM 0 H SER A 3 -34.961 -30.962 -16.242 1.00 0.00 H new ATOM 0 HA SER A 3 -33.455 -31.264 -13.729 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.730 -32.130 -16.117 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.315 -30.453 -16.412 1.00 0.00 H new ATOM 0 HG SER A 3 -30.533 -31.659 -15.547 1.00 0.00 H new ATOM 30 N GLY A 4 -32.831 -28.867 -13.354 1.00 0.00 N ATOM 31 CA GLY A 4 -32.689 -27.459 -13.029 1.00 0.00 C ATOM 32 C GLY A 4 -31.289 -27.109 -12.566 1.00 0.00 C ATOM 33 O GLY A 4 -30.481 -27.995 -12.286 1.00 0.00 O ATOM 0 H GLY A 4 -32.397 -29.506 -12.688 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.939 -26.860 -13.905 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.403 -27.196 -12.249 1.00 0.00 H new ATOM 37 N SER A 5 -31.000 -25.815 -12.487 1.00 0.00 N ATOM 38 CA SER A 5 -29.685 -25.350 -12.061 1.00 0.00 C ATOM 39 C SER A 5 -29.765 -23.931 -11.504 1.00 0.00 C ATOM 40 O SER A 5 -30.736 -23.214 -11.740 1.00 0.00 O ATOM 41 CB SER A 5 -28.700 -25.396 -13.230 1.00 0.00 C ATOM 42 OG SER A 5 -28.140 -26.690 -13.374 1.00 0.00 O ATOM 0 H SER A 5 -31.658 -25.069 -12.712 1.00 0.00 H new ATOM 0 HA SER A 5 -29.331 -26.013 -11.271 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.210 -25.112 -14.151 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.905 -24.668 -13.069 1.00 0.00 H new ATOM 0 HG SER A 5 -28.772 -27.359 -13.038 1.00 0.00 H new ATOM 48 N SER A 6 -28.735 -23.535 -10.763 1.00 0.00 N ATOM 49 CA SER A 6 -28.689 -22.204 -10.169 1.00 0.00 C ATOM 50 C SER A 6 -27.325 -21.938 -9.538 1.00 0.00 C ATOM 51 O SER A 6 -26.642 -22.860 -9.096 1.00 0.00 O ATOM 52 CB SER A 6 -29.788 -22.054 -9.115 1.00 0.00 C ATOM 53 OG SER A 6 -30.145 -20.694 -8.940 1.00 0.00 O ATOM 0 H SER A 6 -27.922 -24.116 -10.560 1.00 0.00 H new ATOM 0 HA SER A 6 -28.853 -21.474 -10.961 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.665 -22.628 -9.415 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.446 -22.468 -8.167 1.00 0.00 H new ATOM 0 HG SER A 6 -30.850 -20.625 -8.263 1.00 0.00 H new ATOM 59 N GLY A 7 -26.935 -20.667 -9.501 1.00 0.00 N ATOM 60 CA GLY A 7 -25.656 -20.300 -8.923 1.00 0.00 C ATOM 61 C GLY A 7 -25.442 -18.800 -8.892 1.00 0.00 C ATOM 62 O GLY A 7 -25.820 -18.094 -9.827 1.00 0.00 O ATOM 0 H GLY A 7 -27.482 -19.885 -9.861 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.593 -20.694 -7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.855 -20.766 -9.496 1.00 0.00 H new ATOM 66 N GLN A 8 -24.835 -18.312 -7.815 1.00 0.00 N ATOM 67 CA GLN A 8 -24.574 -16.885 -7.666 1.00 0.00 C ATOM 68 C GLN A 8 -23.820 -16.341 -8.876 1.00 0.00 C ATOM 69 O GLN A 8 -22.807 -16.892 -9.306 1.00 0.00 O ATOM 70 CB GLN A 8 -23.772 -16.622 -6.390 1.00 0.00 C ATOM 71 CG GLN A 8 -24.623 -16.607 -5.130 1.00 0.00 C ATOM 72 CD GLN A 8 -25.407 -17.890 -4.940 1.00 0.00 C ATOM 73 OE1 GLN A 8 -24.847 -18.986 -4.983 1.00 0.00 O ATOM 74 NE2 GLN A 8 -26.711 -17.761 -4.727 1.00 0.00 N ATOM 0 H GLN A 8 -24.515 -18.883 -7.033 1.00 0.00 H new ATOM 0 HA GLN A 8 -25.533 -16.371 -7.596 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -23.003 -17.388 -6.290 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -23.259 -15.665 -6.484 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -23.981 -16.447 -4.264 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -25.315 -15.766 -5.174 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -27.134 -16.833 -4.699 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -27.290 -18.590 -4.591 1.00 0.00 H new ATOM 83 N PRO A 9 -24.326 -15.233 -9.438 1.00 0.00 N ATOM 84 CA PRO A 9 -23.716 -14.590 -10.606 1.00 0.00 C ATOM 85 C PRO A 9 -22.382 -13.930 -10.273 1.00 0.00 C ATOM 86 O PRO A 9 -21.454 -13.942 -11.083 1.00 0.00 O ATOM 87 CB PRO A 9 -24.749 -13.534 -11.009 1.00 0.00 C ATOM 88 CG PRO A 9 -25.495 -13.236 -9.754 1.00 0.00 C ATOM 89 CD PRO A 9 -25.531 -14.523 -8.978 1.00 0.00 C ATOM 0 HA PRO A 9 -23.489 -15.307 -11.395 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -24.267 -12.640 -11.405 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -25.415 -13.908 -11.786 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -25.000 -12.450 -9.183 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -26.503 -12.884 -9.973 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -25.506 -14.345 -7.903 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -26.437 -15.092 -9.186 1.00 0.00 H new ATOM 97 N SER A 10 -22.292 -13.357 -9.078 1.00 0.00 N ATOM 98 CA SER A 10 -21.072 -12.689 -8.640 1.00 0.00 C ATOM 99 C SER A 10 -20.573 -11.716 -9.704 1.00 0.00 C ATOM 100 O SER A 10 -19.429 -11.782 -10.155 1.00 0.00 O ATOM 101 CB SER A 10 -19.986 -13.720 -8.326 1.00 0.00 C ATOM 102 OG SER A 10 -19.587 -14.413 -9.496 1.00 0.00 O ATOM 0 H SER A 10 -23.049 -13.342 -8.395 1.00 0.00 H new ATOM 0 HA SER A 10 -21.300 -12.125 -7.736 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.124 -13.221 -7.883 1.00 0.00 H new ATOM 0 HB3 SER A 10 -20.357 -14.431 -7.588 1.00 0.00 H new ATOM 0 HG SER A 10 -19.940 -13.952 -10.286 1.00 0.00 H new ATOM 108 N PRO A 11 -21.451 -10.790 -10.116 1.00 0.00 N ATOM 109 CA PRO A 11 -21.124 -9.785 -11.131 1.00 0.00 C ATOM 110 C PRO A 11 -20.124 -8.752 -10.623 1.00 0.00 C ATOM 111 O PRO A 11 -20.390 -8.007 -9.680 1.00 0.00 O ATOM 112 CB PRO A 11 -22.473 -9.124 -11.424 1.00 0.00 C ATOM 113 CG PRO A 11 -23.273 -9.330 -10.185 1.00 0.00 C ATOM 114 CD PRO A 11 -22.832 -10.653 -9.622 1.00 0.00 C ATOM 0 HA PRO A 11 -20.653 -10.230 -12.007 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -22.354 -8.064 -11.647 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -22.957 -9.579 -12.288 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -23.100 -8.525 -9.471 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -24.340 -9.336 -10.406 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -22.872 -10.660 -8.533 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -23.466 -11.469 -9.969 1.00 0.00 H new ATOM 122 N PRO A 12 -18.945 -8.704 -11.261 1.00 0.00 N ATOM 123 CA PRO A 12 -17.882 -7.765 -10.890 1.00 0.00 C ATOM 124 C PRO A 12 -18.238 -6.322 -11.233 1.00 0.00 C ATOM 125 O PRO A 12 -18.035 -5.876 -12.362 1.00 0.00 O ATOM 126 CB PRO A 12 -16.688 -8.234 -11.724 1.00 0.00 C ATOM 127 CG PRO A 12 -17.293 -8.927 -12.896 1.00 0.00 C ATOM 128 CD PRO A 12 -18.559 -9.562 -12.393 1.00 0.00 C ATOM 0 HA PRO A 12 -17.695 -7.764 -9.816 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -16.069 -7.393 -12.037 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.047 -8.906 -11.154 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -17.503 -8.222 -13.701 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -16.613 -9.678 -13.299 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.331 -9.583 -13.162 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -18.394 -10.592 -12.078 1.00 0.00 H new ATOM 136 N GLN A 13 -18.768 -5.599 -10.253 1.00 0.00 N ATOM 137 CA GLN A 13 -19.152 -4.206 -10.452 1.00 0.00 C ATOM 138 C GLN A 13 -18.041 -3.265 -9.997 1.00 0.00 C ATOM 139 O GLN A 13 -18.084 -2.728 -8.890 1.00 0.00 O ATOM 140 CB GLN A 13 -20.442 -3.897 -9.692 1.00 0.00 C ATOM 141 CG GLN A 13 -21.692 -4.431 -10.372 1.00 0.00 C ATOM 142 CD GLN A 13 -22.038 -3.671 -11.637 1.00 0.00 C ATOM 143 OE1 GLN A 13 -22.135 -2.444 -11.631 1.00 0.00 O ATOM 144 NE2 GLN A 13 -22.228 -4.399 -12.732 1.00 0.00 N ATOM 0 H GLN A 13 -18.942 -5.954 -9.313 1.00 0.00 H new ATOM 0 HA GLN A 13 -19.321 -4.050 -11.518 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -20.374 -4.321 -8.690 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -20.535 -2.817 -9.575 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -21.548 -5.484 -10.613 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -22.531 -4.375 -9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -22.137 -5.414 -12.692 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -22.464 -3.943 -13.613 1.00 0.00 H new ATOM 153 N ARG A 14 -17.048 -3.071 -10.858 1.00 0.00 N ATOM 154 CA ARG A 14 -15.925 -2.195 -10.544 1.00 0.00 C ATOM 155 C ARG A 14 -15.489 -2.370 -9.092 1.00 0.00 C ATOM 156 O ARG A 14 -15.406 -1.412 -8.323 1.00 0.00 O ATOM 157 CB ARG A 14 -16.301 -0.735 -10.802 1.00 0.00 C ATOM 158 CG ARG A 14 -15.119 0.219 -10.734 1.00 0.00 C ATOM 159 CD ARG A 14 -14.381 0.288 -12.061 1.00 0.00 C ATOM 160 NE ARG A 14 -13.757 -0.987 -12.407 1.00 0.00 N ATOM 161 CZ ARG A 14 -12.557 -1.359 -11.976 1.00 0.00 C ATOM 162 NH1 ARG A 14 -11.856 -0.558 -11.186 1.00 0.00 N ATOM 163 NH2 ARG A 14 -12.057 -2.534 -12.334 1.00 0.00 N ATOM 0 H ARG A 14 -16.998 -3.508 -11.778 1.00 0.00 H new ATOM 0 HA ARG A 14 -15.092 -2.468 -11.192 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.765 -0.656 -11.785 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -17.049 -0.427 -10.071 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -15.469 1.214 -10.459 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.433 -0.105 -9.952 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -15.077 0.576 -12.848 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.617 1.064 -12.011 1.00 0.00 H new ATOM 0 HE ARG A 14 -14.271 -1.627 -13.013 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -12.238 0.346 -10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.935 -0.846 -10.856 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -12.594 -3.153 -12.941 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.135 -2.818 -12.002 1.00 0.00 H new ATOM 177 N PRO A 15 -15.204 -3.623 -8.706 1.00 0.00 N ATOM 178 CA PRO A 15 -14.773 -3.953 -7.345 1.00 0.00 C ATOM 179 C PRO A 15 -13.371 -3.436 -7.040 1.00 0.00 C ATOM 180 O PRO A 15 -12.437 -3.655 -7.810 1.00 0.00 O ATOM 181 CB PRO A 15 -14.794 -5.484 -7.327 1.00 0.00 C ATOM 182 CG PRO A 15 -14.610 -5.881 -8.751 1.00 0.00 C ATOM 183 CD PRO A 15 -15.282 -4.813 -9.569 1.00 0.00 C ATOM 0 HA PRO A 15 -15.415 -3.496 -6.592 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -13.998 -5.884 -6.698 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -15.735 -5.863 -6.929 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -13.552 -5.956 -9.001 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -15.054 -6.858 -8.944 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.772 -4.654 -10.519 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -16.315 -5.074 -9.801 1.00 0.00 H new ATOM 191 N ASN A 16 -13.231 -2.750 -5.910 1.00 0.00 N ATOM 192 CA ASN A 16 -11.942 -2.201 -5.503 1.00 0.00 C ATOM 193 C ASN A 16 -11.494 -2.795 -4.171 1.00 0.00 C ATOM 194 O ASN A 16 -11.797 -2.256 -3.107 1.00 0.00 O ATOM 195 CB ASN A 16 -12.025 -0.677 -5.393 1.00 0.00 C ATOM 196 CG ASN A 16 -12.158 -0.006 -6.747 1.00 0.00 C ATOM 197 OD1 ASN A 16 -12.969 -0.415 -7.577 1.00 0.00 O ATOM 198 ND2 ASN A 16 -11.358 1.029 -6.975 1.00 0.00 N ATOM 0 H ASN A 16 -13.994 -2.561 -5.260 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.207 -2.464 -6.263 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -12.878 -0.406 -4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.133 -0.303 -4.891 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.401 1.520 -7.868 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.701 1.333 -6.257 1.00 0.00 H new ATOM 205 N ARG A 17 -10.771 -3.908 -4.239 1.00 0.00 N ATOM 206 CA ARG A 17 -10.282 -4.576 -3.039 1.00 0.00 C ATOM 207 C ARG A 17 -8.803 -4.274 -2.814 1.00 0.00 C ATOM 208 O ARG A 17 -8.026 -4.178 -3.765 1.00 0.00 O ATOM 209 CB ARG A 17 -10.495 -6.087 -3.147 1.00 0.00 C ATOM 210 CG ARG A 17 -11.953 -6.487 -3.299 1.00 0.00 C ATOM 211 CD ARG A 17 -12.176 -7.939 -2.906 1.00 0.00 C ATOM 212 NE ARG A 17 -11.853 -8.857 -3.995 1.00 0.00 N ATOM 213 CZ ARG A 17 -12.758 -9.352 -4.832 1.00 0.00 C ATOM 214 NH1 ARG A 17 -14.035 -9.020 -4.705 1.00 0.00 N ATOM 215 NH2 ARG A 17 -12.386 -10.182 -5.798 1.00 0.00 N ATOM 0 H ARG A 17 -10.511 -4.366 -5.112 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.846 -4.197 -2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.933 -6.465 -4.001 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.086 -6.568 -2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.575 -5.841 -2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.267 -6.336 -4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.563 -8.178 -2.037 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.216 -8.079 -2.610 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.879 -9.133 -4.120 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.325 -8.383 -3.963 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.728 -9.402 -5.349 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.404 -10.440 -5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.082 -10.562 -6.440 1.00 0.00 H new ATOM 229 N CYS A 18 -8.420 -4.126 -1.550 1.00 0.00 N ATOM 230 CA CYS A 18 -7.036 -3.835 -1.199 1.00 0.00 C ATOM 231 C CYS A 18 -6.090 -4.859 -1.820 1.00 0.00 C ATOM 232 O CYS A 18 -6.262 -6.066 -1.646 1.00 0.00 O ATOM 233 CB CYS A 18 -6.865 -3.823 0.321 1.00 0.00 C ATOM 234 SG CYS A 18 -5.245 -3.207 0.883 1.00 0.00 S ATOM 0 H CYS A 18 -9.050 -4.203 -0.751 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.787 -2.850 -1.594 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.649 -3.205 0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.008 -4.835 0.700 1.00 0.00 H new ATOM 239 N THR A 19 -5.090 -4.369 -2.545 1.00 0.00 N ATOM 240 CA THR A 19 -4.117 -5.240 -3.193 1.00 0.00 C ATOM 241 C THR A 19 -3.124 -5.803 -2.182 1.00 0.00 C ATOM 242 O THR A 19 -2.133 -6.431 -2.554 1.00 0.00 O ATOM 243 CB THR A 19 -3.342 -4.494 -4.296 1.00 0.00 C ATOM 244 OG1 THR A 19 -4.217 -3.598 -4.990 1.00 0.00 O ATOM 245 CG2 THR A 19 -2.727 -5.476 -5.282 1.00 0.00 C ATOM 0 H THR A 19 -4.932 -3.373 -2.698 1.00 0.00 H new ATOM 0 HA THR A 19 -4.677 -6.060 -3.643 1.00 0.00 H new ATOM 0 HB THR A 19 -2.540 -3.925 -3.825 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.716 -3.127 -5.688 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.185 -4.927 -6.052 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.039 -6.138 -4.755 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.516 -6.068 -5.746 1.00 0.00 H new ATOM 253 N VAL A 20 -3.398 -5.575 -0.902 1.00 0.00 N ATOM 254 CA VAL A 20 -2.529 -6.062 0.164 1.00 0.00 C ATOM 255 C VAL A 20 -3.258 -7.063 1.053 1.00 0.00 C ATOM 256 O VAL A 20 -2.722 -8.121 1.384 1.00 0.00 O ATOM 257 CB VAL A 20 -2.006 -4.904 1.034 1.00 0.00 C ATOM 258 CG1 VAL A 20 -1.332 -5.441 2.288 1.00 0.00 C ATOM 259 CG2 VAL A 20 -1.050 -4.029 0.238 1.00 0.00 C ATOM 0 H VAL A 20 -4.214 -5.057 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.684 -6.556 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.854 -4.291 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.969 -4.609 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.050 -6.022 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.494 -6.078 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.690 -3.216 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.204 -4.628 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.569 -3.615 -0.626 1.00 0.00 H new ATOM 269 N CYS A 21 -4.484 -6.723 1.436 1.00 0.00 N ATOM 270 CA CYS A 21 -5.288 -7.591 2.287 1.00 0.00 C ATOM 271 C CYS A 21 -6.653 -7.858 1.658 1.00 0.00 C ATOM 272 O CYS A 21 -7.427 -8.677 2.153 1.00 0.00 O ATOM 273 CB CYS A 21 -5.467 -6.961 3.670 1.00 0.00 C ATOM 274 SG CYS A 21 -6.444 -5.423 3.666 1.00 0.00 S ATOM 0 H CYS A 21 -4.943 -5.852 1.170 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.764 -8.541 2.392 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.950 -7.684 4.327 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.484 -6.753 4.093 1.00 0.00 H new ATOM 279 N ARG A 22 -6.939 -7.161 0.563 1.00 0.00 N ATOM 280 CA ARG A 22 -8.210 -7.321 -0.134 1.00 0.00 C ATOM 281 C ARG A 22 -9.383 -7.132 0.824 1.00 0.00 C ATOM 282 O ARG A 22 -10.247 -8.001 0.943 1.00 0.00 O ATOM 283 CB ARG A 22 -8.287 -8.703 -0.786 1.00 0.00 C ATOM 284 CG ARG A 22 -7.151 -8.983 -1.756 1.00 0.00 C ATOM 285 CD ARG A 22 -7.447 -8.419 -3.137 1.00 0.00 C ATOM 286 NE ARG A 22 -6.750 -9.154 -4.189 1.00 0.00 N ATOM 287 CZ ARG A 22 -7.183 -9.230 -5.443 1.00 0.00 C ATOM 288 NH1 ARG A 22 -8.304 -8.617 -5.799 1.00 0.00 N ATOM 289 NH2 ARG A 22 -6.494 -9.918 -6.343 1.00 0.00 N ATOM 0 H ARG A 22 -6.308 -6.480 0.139 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.270 -6.557 -0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.283 -9.464 -0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.236 -8.793 -1.315 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.228 -8.547 -1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.989 -10.058 -1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.521 -8.454 -3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.152 -7.370 -3.171 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.884 -9.635 -3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.836 -8.086 -5.110 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.634 -8.677 -6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.631 -10.390 -6.073 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.827 -9.976 -7.305 1.00 0.00 H new ATOM 303 N LYS A 23 -9.406 -5.991 1.504 1.00 0.00 N ATOM 304 CA LYS A 23 -10.473 -5.686 2.451 1.00 0.00 C ATOM 305 C LYS A 23 -11.580 -4.878 1.781 1.00 0.00 C ATOM 306 O LYS A 23 -12.208 -4.027 2.412 1.00 0.00 O ATOM 307 CB LYS A 23 -9.914 -4.913 3.647 1.00 0.00 C ATOM 308 CG LYS A 23 -9.561 -3.470 3.328 1.00 0.00 C ATOM 309 CD LYS A 23 -9.770 -2.566 4.531 1.00 0.00 C ATOM 310 CE LYS A 23 -11.249 -2.360 4.823 1.00 0.00 C ATOM 311 NZ LYS A 23 -11.487 -1.145 5.651 1.00 0.00 N ATOM 0 H LYS A 23 -8.698 -5.262 1.417 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.896 -6.628 2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.647 -4.929 4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.024 -5.423 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.522 -3.412 3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.174 -3.120 2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.283 -3.001 5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.296 -1.601 4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.796 -2.272 3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.642 -3.235 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.506 -1.040 5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.986 -1.239 6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.135 -0.307 5.146 1.00 0.00 H new ATOM 325 N ARG A 24 -11.814 -5.151 0.502 1.00 0.00 N ATOM 326 CA ARG A 24 -12.846 -4.449 -0.252 1.00 0.00 C ATOM 327 C ARG A 24 -12.977 -3.004 0.221 1.00 0.00 C ATOM 328 O ARG A 24 -14.084 -2.503 0.421 1.00 0.00 O ATOM 329 CB ARG A 24 -14.189 -5.167 -0.110 1.00 0.00 C ATOM 330 CG ARG A 24 -14.762 -5.114 1.296 1.00 0.00 C ATOM 331 CD ARG A 24 -16.282 -5.172 1.281 1.00 0.00 C ATOM 332 NE ARG A 24 -16.860 -4.696 2.535 1.00 0.00 N ATOM 333 CZ ARG A 24 -18.062 -5.053 2.973 1.00 0.00 C ATOM 334 NH1 ARG A 24 -18.809 -5.887 2.262 1.00 0.00 N ATOM 335 NH2 ARG A 24 -18.519 -4.577 4.124 1.00 0.00 N ATOM 0 H ARG A 24 -11.303 -5.853 -0.034 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.554 -4.444 -1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.904 -4.722 -0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -14.067 -6.209 -0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.371 -5.946 1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -14.437 -4.198 1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.660 -4.569 0.456 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -16.604 -6.197 1.100 1.00 0.00 H new ATOM 0 HE ARG A 24 -16.310 -4.054 3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -18.461 -6.256 1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.732 -6.160 2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -17.947 -3.936 4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -19.442 -4.852 4.459 1.00 0.00 H new ATOM 349 N VAL A 25 -11.840 -2.339 0.399 1.00 0.00 N ATOM 350 CA VAL A 25 -11.827 -0.952 0.848 1.00 0.00 C ATOM 351 C VAL A 25 -12.957 -0.156 0.204 1.00 0.00 C ATOM 352 O VAL A 25 -13.448 0.817 0.775 1.00 0.00 O ATOM 353 CB VAL A 25 -10.485 -0.270 0.525 1.00 0.00 C ATOM 354 CG1 VAL A 25 -9.356 -0.910 1.318 1.00 0.00 C ATOM 355 CG2 VAL A 25 -10.201 -0.333 -0.969 1.00 0.00 C ATOM 0 H VAL A 25 -10.915 -2.739 0.239 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.967 -0.968 1.929 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.551 0.779 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.416 -0.415 1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.557 -0.807 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.285 -1.967 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.249 0.154 -1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.154 -1.375 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.997 0.177 -1.512 1.00 0.00 H new ATOM 365 N GLY A 26 -13.366 -0.577 -0.989 1.00 0.00 N ATOM 366 CA GLY A 26 -14.436 0.108 -1.691 1.00 0.00 C ATOM 367 C GLY A 26 -14.004 1.457 -2.231 1.00 0.00 C ATOM 368 O GLY A 26 -12.811 1.716 -2.395 1.00 0.00 O ATOM 0 H GLY A 26 -12.976 -1.380 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.783 -0.515 -2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.281 0.244 -1.016 1.00 0.00 H new ATOM 372 N LEU A 27 -14.976 2.318 -2.512 1.00 0.00 N ATOM 373 CA LEU A 27 -14.691 3.648 -3.039 1.00 0.00 C ATOM 374 C LEU A 27 -13.769 4.420 -2.100 1.00 0.00 C ATOM 375 O LEU A 27 -12.731 4.935 -2.517 1.00 0.00 O ATOM 376 CB LEU A 27 -15.992 4.425 -3.248 1.00 0.00 C ATOM 377 CG LEU A 27 -16.925 3.892 -4.335 1.00 0.00 C ATOM 378 CD1 LEU A 27 -18.359 4.321 -4.065 1.00 0.00 C ATOM 379 CD2 LEU A 27 -16.473 4.369 -5.707 1.00 0.00 C ATOM 0 H LEU A 27 -15.968 2.119 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.187 3.531 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.538 4.441 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.740 5.458 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 27 -16.884 2.803 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -19.009 3.932 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -18.680 3.929 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -18.417 5.409 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.149 3.980 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.484 5.459 -5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.462 4.011 -5.902 1.00 0.00 H new ATOM 391 N THR A 28 -14.154 4.494 -0.830 1.00 0.00 N ATOM 392 CA THR A 28 -13.362 5.202 0.168 1.00 0.00 C ATOM 393 C THR A 28 -11.897 4.786 0.104 1.00 0.00 C ATOM 394 O THR A 28 -10.999 5.616 0.238 1.00 0.00 O ATOM 395 CB THR A 28 -13.894 4.947 1.591 1.00 0.00 C ATOM 396 OG1 THR A 28 -14.059 3.542 1.808 1.00 0.00 O ATOM 397 CG2 THR A 28 -15.221 5.658 1.808 1.00 0.00 C ATOM 0 H THR A 28 -15.009 4.072 -0.468 1.00 0.00 H new ATOM 0 HA THR A 28 -13.445 6.265 -0.059 1.00 0.00 H new ATOM 0 HB THR A 28 -13.168 5.341 2.302 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.396 3.388 2.715 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.577 5.463 2.820 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.086 6.731 1.671 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.953 5.290 1.089 1.00 0.00 H new ATOM 405 N GLY A 29 -11.662 3.493 -0.103 1.00 0.00 N ATOM 406 CA GLY A 29 -10.303 2.990 -0.182 1.00 0.00 C ATOM 407 C GLY A 29 -9.366 3.956 -0.880 1.00 0.00 C ATOM 408 O GLY A 29 -9.716 4.540 -1.906 1.00 0.00 O ATOM 0 H GLY A 29 -12.388 2.786 -0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.933 2.793 0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.301 2.039 -0.714 1.00 0.00 H new ATOM 412 N PHE A 30 -8.173 4.127 -0.321 1.00 0.00 N ATOM 413 CA PHE A 30 -7.183 5.032 -0.894 1.00 0.00 C ATOM 414 C PHE A 30 -6.598 4.454 -2.180 1.00 0.00 C ATOM 415 O PHE A 30 -6.483 3.239 -2.330 1.00 0.00 O ATOM 416 CB PHE A 30 -6.064 5.302 0.113 1.00 0.00 C ATOM 417 CG PHE A 30 -6.523 6.043 1.336 1.00 0.00 C ATOM 418 CD1 PHE A 30 -7.158 5.374 2.370 1.00 0.00 C ATOM 419 CD2 PHE A 30 -6.320 7.409 1.452 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.583 6.054 3.495 1.00 0.00 C ATOM 421 CE2 PHE A 30 -6.742 8.094 2.576 1.00 0.00 C ATOM 422 CZ PHE A 30 -7.373 7.415 3.599 1.00 0.00 C ATOM 0 H PHE A 30 -7.868 3.651 0.528 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.681 5.972 -1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.623 4.353 0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.277 5.876 -0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.323 4.309 2.296 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.826 7.945 0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.079 5.521 4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.578 9.159 2.654 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.702 7.947 4.479 1.00 0.00 H new ATOM 432 N MET A 31 -6.230 5.336 -3.104 1.00 0.00 N ATOM 433 CA MET A 31 -5.656 4.914 -4.376 1.00 0.00 C ATOM 434 C MET A 31 -4.242 5.460 -4.542 1.00 0.00 C ATOM 435 O MET A 31 -4.052 6.621 -4.906 1.00 0.00 O ATOM 436 CB MET A 31 -6.536 5.383 -5.537 1.00 0.00 C ATOM 437 CG MET A 31 -6.085 4.859 -6.891 1.00 0.00 C ATOM 438 SD MET A 31 -7.370 4.989 -8.149 1.00 0.00 S ATOM 439 CE MET A 31 -7.293 3.356 -8.881 1.00 0.00 C ATOM 0 H MET A 31 -6.319 6.346 -2.996 1.00 0.00 H new ATOM 0 HA MET A 31 -5.609 3.825 -4.382 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.562 5.064 -5.356 1.00 0.00 H new ATOM 0 HB3 MET A 31 -6.541 6.473 -5.561 1.00 0.00 H new ATOM 0 HG2 MET A 31 -5.206 5.415 -7.217 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.784 3.816 -6.791 1.00 0.00 H new ATOM 0 HE1 MET A 31 -8.032 3.280 -9.679 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.297 3.188 -9.291 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.503 2.605 -8.119 1.00 0.00 H new ATOM 449 N CYS A 32 -3.251 4.616 -4.273 1.00 0.00 N ATOM 450 CA CYS A 32 -1.854 5.013 -4.391 1.00 0.00 C ATOM 451 C CYS A 32 -1.588 5.670 -5.743 1.00 0.00 C ATOM 452 O CYS A 32 -2.402 5.576 -6.661 1.00 0.00 O ATOM 453 CB CYS A 32 -0.940 3.799 -4.213 1.00 0.00 C ATOM 454 SG CYS A 32 0.765 4.217 -3.726 1.00 0.00 S ATOM 0 H CYS A 32 -3.391 3.652 -3.971 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.641 5.738 -3.606 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.371 3.141 -3.459 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.913 3.238 -5.147 1.00 0.00 H new ATOM 459 N ARG A 33 -0.443 6.335 -5.856 1.00 0.00 N ATOM 460 CA ARG A 33 -0.069 7.009 -7.094 1.00 0.00 C ATOM 461 C ARG A 33 0.268 5.995 -8.183 1.00 0.00 C ATOM 462 O ARG A 33 -0.150 6.141 -9.332 1.00 0.00 O ATOM 463 CB ARG A 33 1.125 7.934 -6.855 1.00 0.00 C ATOM 464 CG ARG A 33 2.355 7.217 -6.325 1.00 0.00 C ATOM 465 CD ARG A 33 3.428 8.201 -5.885 1.00 0.00 C ATOM 466 NE ARG A 33 4.703 7.539 -5.620 1.00 0.00 N ATOM 467 CZ ARG A 33 5.719 8.124 -4.995 1.00 0.00 C ATOM 468 NH1 ARG A 33 5.609 9.376 -4.573 1.00 0.00 N ATOM 469 NH2 ARG A 33 6.847 7.456 -4.792 1.00 0.00 N ATOM 0 H ARG A 33 0.242 6.422 -5.105 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.919 7.604 -7.426 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.380 8.432 -7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.835 8.712 -6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.074 6.584 -5.484 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.756 6.561 -7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.566 8.957 -6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.096 8.721 -4.987 1.00 0.00 H new ATOM 0 HE ARG A 33 4.820 6.575 -5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.743 9.892 -4.728 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.390 9.823 -4.093 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.935 6.493 -5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.627 7.906 -4.312 1.00 0.00 H new ATOM 483 N CYS A 34 1.027 4.969 -7.815 1.00 0.00 N ATOM 484 CA CYS A 34 1.422 3.931 -8.760 1.00 0.00 C ATOM 485 C CYS A 34 0.237 3.498 -9.618 1.00 0.00 C ATOM 486 O CYS A 34 0.399 3.147 -10.787 1.00 0.00 O ATOM 487 CB CYS A 34 1.994 2.724 -8.014 1.00 0.00 C ATOM 488 SG CYS A 34 0.989 2.182 -6.595 1.00 0.00 S ATOM 0 H CYS A 34 1.381 4.834 -6.868 1.00 0.00 H new ATOM 0 HA CYS A 34 2.191 4.343 -9.414 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.095 1.893 -8.712 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.996 2.969 -7.663 1.00 0.00 H new ATOM 493 N GLY A 35 -0.955 3.525 -9.030 1.00 0.00 N ATOM 494 CA GLY A 35 -2.149 3.133 -9.754 1.00 0.00 C ATOM 495 C GLY A 35 -2.829 1.924 -9.142 1.00 0.00 C ATOM 496 O GLY A 35 -3.334 1.057 -9.856 1.00 0.00 O ATOM 0 H GLY A 35 -1.115 3.812 -8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.849 3.968 -9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.887 2.913 -10.789 1.00 0.00 H new ATOM 500 N THR A 36 -2.841 1.864 -7.814 1.00 0.00 N ATOM 501 CA THR A 36 -3.461 0.752 -7.104 1.00 0.00 C ATOM 502 C THR A 36 -4.355 1.250 -5.975 1.00 0.00 C ATOM 503 O THR A 36 -4.422 2.449 -5.704 1.00 0.00 O ATOM 504 CB THR A 36 -2.402 -0.204 -6.523 1.00 0.00 C ATOM 505 OG1 THR A 36 -1.336 0.548 -5.931 1.00 0.00 O ATOM 506 CG2 THR A 36 -1.844 -1.117 -7.605 1.00 0.00 C ATOM 0 H THR A 36 -2.428 2.573 -7.208 1.00 0.00 H new ATOM 0 HA THR A 36 -4.067 0.212 -7.831 1.00 0.00 H new ATOM 0 HB THR A 36 -2.880 -0.820 -5.761 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.836 1.014 -6.633 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.098 -1.783 -7.170 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.652 -1.709 -8.034 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.381 -0.514 -8.386 1.00 0.00 H new ATOM 514 N THR A 37 -5.040 0.321 -5.315 1.00 0.00 N ATOM 515 CA THR A 37 -5.930 0.666 -4.214 1.00 0.00 C ATOM 516 C THR A 37 -5.563 -0.101 -2.949 1.00 0.00 C ATOM 517 O THR A 37 -5.336 -1.311 -2.988 1.00 0.00 O ATOM 518 CB THR A 37 -7.401 0.374 -4.568 1.00 0.00 C ATOM 519 OG1 THR A 37 -7.720 0.945 -5.842 1.00 0.00 O ATOM 520 CG2 THR A 37 -8.335 0.935 -3.507 1.00 0.00 C ATOM 0 H THR A 37 -4.995 -0.676 -5.524 1.00 0.00 H new ATOM 0 HA THR A 37 -5.811 1.735 -4.035 1.00 0.00 H new ATOM 0 HB THR A 37 -7.534 -0.707 -4.611 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.656 0.754 -6.061 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.368 0.716 -3.779 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.109 0.477 -2.544 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.199 2.014 -3.436 1.00 0.00 H new ATOM 528 N PHE A 38 -5.506 0.610 -1.827 1.00 0.00 N ATOM 529 CA PHE A 38 -5.165 -0.004 -0.549 1.00 0.00 C ATOM 530 C PHE A 38 -6.094 0.489 0.556 1.00 0.00 C ATOM 531 O PHE A 38 -6.938 1.358 0.332 1.00 0.00 O ATOM 532 CB PHE A 38 -3.711 0.301 -0.184 1.00 0.00 C ATOM 533 CG PHE A 38 -2.722 -0.177 -1.208 1.00 0.00 C ATOM 534 CD1 PHE A 38 -2.492 -1.532 -1.388 1.00 0.00 C ATOM 535 CD2 PHE A 38 -2.023 0.727 -1.991 1.00 0.00 C ATOM 536 CE1 PHE A 38 -1.582 -1.975 -2.329 1.00 0.00 C ATOM 537 CE2 PHE A 38 -1.112 0.290 -2.934 1.00 0.00 C ATOM 538 CZ PHE A 38 -0.892 -1.063 -3.104 1.00 0.00 C ATOM 0 H PHE A 38 -5.692 1.612 -1.777 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.288 -1.083 -0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.596 1.377 -0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.481 -0.162 0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.030 -2.250 -0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.192 1.786 -1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.410 -3.033 -2.458 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.573 1.005 -3.537 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.182 -1.407 -3.841 1.00 0.00 H new ATOM 548 N CYS A 39 -5.932 -0.071 1.750 1.00 0.00 N ATOM 549 CA CYS A 39 -6.755 0.310 2.892 1.00 0.00 C ATOM 550 C CYS A 39 -6.076 1.403 3.711 1.00 0.00 C ATOM 551 O CYS A 39 -4.922 1.751 3.466 1.00 0.00 O ATOM 552 CB CYS A 39 -7.033 -0.908 3.776 1.00 0.00 C ATOM 553 SG CYS A 39 -5.532 -1.728 4.403 1.00 0.00 S ATOM 0 H CYS A 39 -5.238 -0.791 1.952 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.700 0.699 2.514 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.645 -0.597 4.623 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.619 -1.630 3.207 1.00 0.00 H new ATOM 558 N GLY A 40 -6.803 1.942 4.686 1.00 0.00 N ATOM 559 CA GLY A 40 -6.255 2.990 5.527 1.00 0.00 C ATOM 560 C GLY A 40 -5.004 2.549 6.262 1.00 0.00 C ATOM 561 O GLY A 40 -4.241 3.379 6.755 1.00 0.00 O ATOM 0 H GLY A 40 -7.761 1.671 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.024 3.861 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.008 3.301 6.251 1.00 0.00 H new ATOM 565 N SER A 41 -4.794 1.238 6.336 1.00 0.00 N ATOM 566 CA SER A 41 -3.630 0.689 7.021 1.00 0.00 C ATOM 567 C SER A 41 -2.517 0.367 6.028 1.00 0.00 C ATOM 568 O SER A 41 -1.341 0.321 6.389 1.00 0.00 O ATOM 569 CB SER A 41 -4.016 -0.572 7.797 1.00 0.00 C ATOM 570 OG SER A 41 -3.066 -0.860 8.808 1.00 0.00 O ATOM 0 H SER A 41 -5.414 0.537 5.930 1.00 0.00 H new ATOM 0 HA SER A 41 -3.264 1.440 7.721 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.000 -0.439 8.246 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.089 -1.416 7.112 1.00 0.00 H new ATOM 0 HG SER A 41 -3.336 -1.669 9.290 1.00 0.00 H new ATOM 576 N HIS A 42 -2.898 0.145 4.774 1.00 0.00 N ATOM 577 CA HIS A 42 -1.933 -0.172 3.726 1.00 0.00 C ATOM 578 C HIS A 42 -1.949 0.892 2.633 1.00 0.00 C ATOM 579 O HIS A 42 -1.572 0.628 1.491 1.00 0.00 O ATOM 580 CB HIS A 42 -2.235 -1.544 3.124 1.00 0.00 C ATOM 581 CG HIS A 42 -2.160 -2.663 4.116 1.00 0.00 C ATOM 582 ND1 HIS A 42 -2.860 -3.843 3.974 1.00 0.00 N ATOM 583 CD2 HIS A 42 -1.462 -2.779 5.270 1.00 0.00 C ATOM 584 CE1 HIS A 42 -2.596 -4.635 4.998 1.00 0.00 C ATOM 585 NE2 HIS A 42 -1.750 -4.013 5.799 1.00 0.00 N ATOM 0 H HIS A 42 -3.867 0.179 4.459 1.00 0.00 H new ATOM 0 HA HIS A 42 -0.940 -0.191 4.174 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.232 -1.527 2.683 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -1.532 -1.739 2.315 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.801 -2.038 5.696 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.003 -5.623 5.154 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.372 -4.388 6.669 1.00 0.00 H new ATOM 593 N ARG A 43 -2.389 2.094 2.990 1.00 0.00 N ATOM 594 CA ARG A 43 -2.456 3.197 2.038 1.00 0.00 C ATOM 595 C ARG A 43 -1.060 3.714 1.705 1.00 0.00 C ATOM 596 O ARG A 43 -0.820 4.224 0.611 1.00 0.00 O ATOM 597 CB ARG A 43 -3.312 4.333 2.602 1.00 0.00 C ATOM 598 CG ARG A 43 -2.653 5.079 3.750 1.00 0.00 C ATOM 599 CD ARG A 43 -3.629 6.025 4.433 1.00 0.00 C ATOM 600 NE ARG A 43 -2.954 6.943 5.346 1.00 0.00 N ATOM 601 CZ ARG A 43 -3.587 7.661 6.267 1.00 0.00 C ATOM 602 NH1 ARG A 43 -4.903 7.567 6.397 1.00 0.00 N ATOM 603 NH2 ARG A 43 -2.903 8.474 7.062 1.00 0.00 N ATOM 0 H ARG A 43 -2.704 2.329 3.931 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.914 2.826 1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.537 5.039 1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.263 3.925 2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.269 4.364 4.477 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.799 5.643 3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.168 6.596 3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.370 5.446 4.984 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.941 7.038 5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.432 6.942 5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.386 8.120 7.105 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.890 8.548 6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.390 9.025 7.769 1.00 0.00 H new ATOM 617 N TYR A 44 -0.143 3.579 2.657 1.00 0.00 N ATOM 618 CA TYR A 44 1.229 4.035 2.466 1.00 0.00 C ATOM 619 C TYR A 44 1.946 3.183 1.423 1.00 0.00 C ATOM 620 O TYR A 44 1.702 1.984 1.289 1.00 0.00 O ATOM 621 CB TYR A 44 1.993 3.989 3.791 1.00 0.00 C ATOM 622 CG TYR A 44 1.486 4.978 4.816 1.00 0.00 C ATOM 623 CD1 TYR A 44 1.771 6.333 4.702 1.00 0.00 C ATOM 624 CD2 TYR A 44 0.723 4.558 5.898 1.00 0.00 C ATOM 625 CE1 TYR A 44 1.311 7.241 5.637 1.00 0.00 C ATOM 626 CE2 TYR A 44 0.257 5.458 6.837 1.00 0.00 C ATOM 627 CZ TYR A 44 0.555 6.798 6.702 1.00 0.00 C ATOM 628 OH TYR A 44 0.093 7.699 7.635 1.00 0.00 O ATOM 0 H TYR A 44 -0.325 3.158 3.568 1.00 0.00 H new ATOM 0 HA TYR A 44 1.197 5.064 2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.926 2.983 4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.048 4.185 3.600 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.362 6.683 3.869 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.490 3.509 6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.542 8.291 5.534 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.337 5.115 7.671 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.424 7.225 8.320 1.00 0.00 H new ATOM 638 N PRO A 45 2.854 3.817 0.666 1.00 0.00 N ATOM 639 CA PRO A 45 3.628 3.138 -0.378 1.00 0.00 C ATOM 640 C PRO A 45 4.646 2.160 0.199 1.00 0.00 C ATOM 641 O PRO A 45 4.811 1.051 -0.309 1.00 0.00 O ATOM 642 CB PRO A 45 4.338 4.287 -1.098 1.00 0.00 C ATOM 643 CG PRO A 45 4.429 5.372 -0.081 1.00 0.00 C ATOM 644 CD PRO A 45 3.197 5.245 0.772 1.00 0.00 C ATOM 0 HA PRO A 45 2.994 2.537 -1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.326 3.986 -1.445 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.777 4.612 -1.974 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.332 5.268 0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.474 6.351 -0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.391 5.536 1.804 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.389 5.880 0.408 1.00 0.00 H new ATOM 652 N GLU A 46 5.326 2.578 1.262 1.00 0.00 N ATOM 653 CA GLU A 46 6.328 1.738 1.906 1.00 0.00 C ATOM 654 C GLU A 46 5.724 0.406 2.340 1.00 0.00 C ATOM 655 O GLU A 46 6.365 -0.641 2.240 1.00 0.00 O ATOM 656 CB GLU A 46 6.927 2.457 3.117 1.00 0.00 C ATOM 657 CG GLU A 46 5.906 2.794 4.191 1.00 0.00 C ATOM 658 CD GLU A 46 6.548 3.295 5.470 1.00 0.00 C ATOM 659 OE1 GLU A 46 7.458 2.611 5.985 1.00 0.00 O ATOM 660 OE2 GLU A 46 6.141 4.370 5.956 1.00 0.00 O ATOM 0 H GLU A 46 5.201 3.493 1.695 1.00 0.00 H new ATOM 0 HA GLU A 46 7.118 1.540 1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.706 1.831 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.407 3.377 2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.222 3.553 3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.310 1.908 4.411 1.00 0.00 H new ATOM 667 N VAL A 47 4.486 0.453 2.822 1.00 0.00 N ATOM 668 CA VAL A 47 3.795 -0.750 3.270 1.00 0.00 C ATOM 669 C VAL A 47 3.741 -1.798 2.165 1.00 0.00 C ATOM 670 O VAL A 47 4.199 -2.927 2.342 1.00 0.00 O ATOM 671 CB VAL A 47 2.360 -0.433 3.732 1.00 0.00 C ATOM 672 CG1 VAL A 47 1.612 -1.713 4.070 1.00 0.00 C ATOM 673 CG2 VAL A 47 2.380 0.513 4.923 1.00 0.00 C ATOM 0 H VAL A 47 3.941 1.311 2.912 1.00 0.00 H new ATOM 0 HA VAL A 47 4.362 -1.145 4.113 1.00 0.00 H new ATOM 0 HB VAL A 47 1.835 0.061 2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.600 -1.468 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.566 -2.351 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.133 -2.238 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.358 0.726 5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.922 0.049 5.747 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.874 1.443 4.641 1.00 0.00 H new ATOM 683 N HIS A 48 3.179 -1.417 1.022 1.00 0.00 N ATOM 684 CA HIS A 48 3.067 -2.324 -0.115 1.00 0.00 C ATOM 685 C HIS A 48 4.243 -2.146 -1.070 1.00 0.00 C ATOM 686 O HIS A 48 4.092 -2.263 -2.285 1.00 0.00 O ATOM 687 CB HIS A 48 1.752 -2.085 -0.857 1.00 0.00 C ATOM 688 CG HIS A 48 1.680 -0.752 -1.536 1.00 0.00 C ATOM 689 ND1 HIS A 48 1.037 0.338 -0.989 1.00 0.00 N ATOM 690 CD2 HIS A 48 2.179 -0.336 -2.724 1.00 0.00 C ATOM 691 CE1 HIS A 48 1.140 1.366 -1.812 1.00 0.00 C ATOM 692 NE2 HIS A 48 1.829 0.984 -2.872 1.00 0.00 N ATOM 0 H HIS A 48 2.794 -0.487 0.859 1.00 0.00 H new ATOM 0 HA HIS A 48 3.081 -3.346 0.264 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.616 -2.870 -1.601 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.926 -2.169 -0.151 1.00 0.00 H new ATOM 0 HD1 HIS A 48 0.557 0.349 -0.089 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.746 -0.931 -3.424 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.730 2.351 -1.646 1.00 0.00 H new ATOM 700 N GLY A 49 5.416 -1.861 -0.511 1.00 0.00 N ATOM 701 CA GLY A 49 6.600 -1.671 -1.328 1.00 0.00 C ATOM 702 C GLY A 49 6.283 -1.040 -2.670 1.00 0.00 C ATOM 703 O GLY A 49 6.418 -1.681 -3.713 1.00 0.00 O ATOM 0 H GLY A 49 5.567 -1.758 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.310 -1.041 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.086 -2.634 -1.488 1.00 0.00 H new ATOM 707 N CYS A 50 5.860 0.219 -2.645 1.00 0.00 N ATOM 708 CA CYS A 50 5.521 0.937 -3.868 1.00 0.00 C ATOM 709 C CYS A 50 6.629 0.794 -4.907 1.00 0.00 C ATOM 710 O CYS A 50 7.720 1.343 -4.749 1.00 0.00 O ATOM 711 CB CYS A 50 5.279 2.417 -3.565 1.00 0.00 C ATOM 712 SG CYS A 50 4.382 3.307 -4.877 1.00 0.00 S ATOM 0 H CYS A 50 5.744 0.764 -1.791 1.00 0.00 H new ATOM 0 HA CYS A 50 4.608 0.502 -4.274 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.717 2.499 -2.635 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.240 2.905 -3.401 1.00 0.00 H new ATOM 717 N THR A 51 6.342 0.052 -5.973 1.00 0.00 N ATOM 718 CA THR A 51 7.312 -0.164 -7.038 1.00 0.00 C ATOM 719 C THR A 51 6.928 0.605 -8.297 1.00 0.00 C ATOM 720 O THR A 51 7.071 0.103 -9.411 1.00 0.00 O ATOM 721 CB THR A 51 7.443 -1.660 -7.384 1.00 0.00 C ATOM 722 OG1 THR A 51 6.143 -2.242 -7.536 1.00 0.00 O ATOM 723 CG2 THR A 51 8.212 -2.401 -6.301 1.00 0.00 C ATOM 0 H THR A 51 5.444 -0.409 -6.121 1.00 0.00 H new ATOM 0 HA THR A 51 8.271 0.202 -6.670 1.00 0.00 H new ATOM 0 HB THR A 51 7.993 -1.747 -8.321 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.234 -3.192 -7.757 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.291 -3.455 -6.568 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.211 -1.974 -6.207 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.686 -2.306 -5.351 1.00 0.00 H new ATOM 731 N PHE A 52 6.441 1.828 -8.111 1.00 0.00 N ATOM 732 CA PHE A 52 6.036 2.667 -9.233 1.00 0.00 C ATOM 733 C PHE A 52 7.011 2.526 -10.398 1.00 0.00 C ATOM 734 O PHE A 52 8.225 2.626 -10.221 1.00 0.00 O ATOM 735 CB PHE A 52 5.953 4.132 -8.797 1.00 0.00 C ATOM 736 CG PHE A 52 6.020 5.102 -9.942 1.00 0.00 C ATOM 737 CD1 PHE A 52 4.931 5.281 -10.780 1.00 0.00 C ATOM 738 CD2 PHE A 52 7.171 5.836 -10.179 1.00 0.00 C ATOM 739 CE1 PHE A 52 4.990 6.173 -11.834 1.00 0.00 C ATOM 740 CE2 PHE A 52 7.236 6.730 -11.232 1.00 0.00 C ATOM 741 CZ PHE A 52 6.143 6.899 -12.059 1.00 0.00 C ATOM 0 H PHE A 52 6.317 2.259 -7.195 1.00 0.00 H new ATOM 0 HA PHE A 52 5.052 2.337 -9.565 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.022 4.289 -8.252 1.00 0.00 H new ATOM 0 HB3 PHE A 52 6.767 4.343 -8.104 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.026 4.717 -10.608 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.028 5.708 -9.534 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.135 6.302 -12.481 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.140 7.295 -11.407 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.190 7.598 -12.881 1.00 0.00 H new ATOM 751 N ASP A 53 6.471 2.292 -11.589 1.00 0.00 N ATOM 752 CA ASP A 53 7.292 2.137 -12.784 1.00 0.00 C ATOM 753 C ASP A 53 7.331 3.433 -13.588 1.00 0.00 C ATOM 754 O ASP A 53 6.344 3.816 -14.217 1.00 0.00 O ATOM 755 CB ASP A 53 6.755 0.999 -13.653 1.00 0.00 C ATOM 756 CG ASP A 53 7.707 0.627 -14.773 1.00 0.00 C ATOM 757 OD1 ASP A 53 8.173 1.542 -15.484 1.00 0.00 O ATOM 758 OD2 ASP A 53 7.986 -0.579 -14.939 1.00 0.00 O ATOM 0 H ASP A 53 5.468 2.205 -11.753 1.00 0.00 H new ATOM 0 HA ASP A 53 8.307 1.895 -12.469 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.573 0.124 -13.029 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.795 1.292 -14.078 1.00 0.00 H new ATOM 763 N PHE A 54 8.477 4.105 -13.562 1.00 0.00 N ATOM 764 CA PHE A 54 8.645 5.359 -14.287 1.00 0.00 C ATOM 765 C PHE A 54 8.814 5.105 -15.782 1.00 0.00 C ATOM 766 O PHE A 54 9.168 4.003 -16.200 1.00 0.00 O ATOM 767 CB PHE A 54 9.854 6.127 -13.748 1.00 0.00 C ATOM 768 CG PHE A 54 11.139 5.787 -14.447 1.00 0.00 C ATOM 769 CD1 PHE A 54 11.805 4.605 -14.165 1.00 0.00 C ATOM 770 CD2 PHE A 54 11.682 6.649 -15.386 1.00 0.00 C ATOM 771 CE1 PHE A 54 12.988 4.290 -14.806 1.00 0.00 C ATOM 772 CE2 PHE A 54 12.865 6.340 -16.030 1.00 0.00 C ATOM 773 CZ PHE A 54 13.518 5.158 -15.741 1.00 0.00 C ATOM 0 H PHE A 54 9.303 3.802 -13.047 1.00 0.00 H new ATOM 0 HA PHE A 54 7.747 5.959 -14.138 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.668 7.197 -13.846 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.962 5.918 -12.684 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.395 3.922 -13.436 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.174 7.574 -15.617 1.00 0.00 H new ATOM 0 HE1 PHE A 54 13.498 3.366 -14.576 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.278 7.022 -16.758 1.00 0.00 H new ATOM 0 HZ PHE A 54 14.441 4.913 -16.245 1.00 0.00 H new ATOM 783 N LYS A 55 8.558 6.134 -16.583 1.00 0.00 N ATOM 784 CA LYS A 55 8.682 6.025 -18.032 1.00 0.00 C ATOM 785 C LYS A 55 10.072 5.532 -18.423 1.00 0.00 C ATOM 786 O LYS A 55 11.010 5.596 -17.629 1.00 0.00 O ATOM 787 CB LYS A 55 8.404 7.378 -18.691 1.00 0.00 C ATOM 788 CG LYS A 55 6.929 7.644 -18.934 1.00 0.00 C ATOM 789 CD LYS A 55 6.289 8.355 -17.753 1.00 0.00 C ATOM 790 CE LYS A 55 4.796 8.078 -17.679 1.00 0.00 C ATOM 791 NZ LYS A 55 4.221 8.485 -16.366 1.00 0.00 N ATOM 0 H LYS A 55 8.263 7.053 -16.253 1.00 0.00 H new ATOM 0 HA LYS A 55 7.947 5.300 -18.382 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.808 8.170 -18.060 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.935 7.425 -19.642 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.811 8.250 -19.832 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.413 6.701 -19.115 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.767 8.030 -16.829 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.457 9.429 -17.838 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.287 8.614 -18.480 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.615 7.015 -17.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.201 8.280 -16.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.689 7.955 -15.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.371 9.504 -16.222 1.00 0.00 H new ATOM 805 N SER A 56 10.197 5.043 -19.653 1.00 0.00 N ATOM 806 CA SER A 56 11.471 4.538 -20.149 1.00 0.00 C ATOM 807 C SER A 56 12.308 5.666 -20.744 1.00 0.00 C ATOM 808 O SER A 56 11.840 6.415 -21.600 1.00 0.00 O ATOM 809 CB SER A 56 11.239 3.450 -21.200 1.00 0.00 C ATOM 810 OG SER A 56 10.907 4.017 -22.455 1.00 0.00 O ATOM 0 H SER A 56 9.431 4.986 -20.324 1.00 0.00 H new ATOM 0 HA SER A 56 12.016 4.110 -19.308 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.136 2.839 -21.299 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.437 2.789 -20.872 1.00 0.00 H new ATOM 0 HG SER A 56 11.010 4.991 -22.412 1.00 0.00 H new ATOM 816 N ALA A 57 13.550 5.779 -20.283 1.00 0.00 N ATOM 817 CA ALA A 57 14.454 6.814 -20.771 1.00 0.00 C ATOM 818 C ALA A 57 15.906 6.462 -20.466 1.00 0.00 C ATOM 819 O ALA A 57 16.309 6.398 -19.305 1.00 0.00 O ATOM 820 CB ALA A 57 14.095 8.160 -20.158 1.00 0.00 C ATOM 0 H ALA A 57 13.953 5.167 -19.573 1.00 0.00 H new ATOM 0 HA ALA A 57 14.343 6.879 -21.853 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.778 8.923 -20.531 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.073 8.423 -20.431 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.177 8.099 -19.073 1.00 0.00 H new ATOM 826 N GLY A 58 16.688 6.234 -21.517 1.00 0.00 N ATOM 827 CA GLY A 58 18.087 5.890 -21.340 1.00 0.00 C ATOM 828 C GLY A 58 18.717 5.353 -22.610 1.00 0.00 C ATOM 829 O GLY A 58 18.698 4.148 -22.858 1.00 0.00 O ATOM 0 H GLY A 58 16.378 6.281 -22.488 1.00 0.00 H new ATOM 0 HA2 GLY A 58 18.636 6.772 -21.011 1.00 0.00 H new ATOM 0 HA3 GLY A 58 18.178 5.145 -20.550 1.00 0.00 H new ATOM 833 N SER A 59 19.274 6.250 -23.417 1.00 0.00 N ATOM 834 CA SER A 59 19.908 5.860 -24.671 1.00 0.00 C ATOM 835 C SER A 59 21.428 5.858 -24.535 1.00 0.00 C ATOM 836 O SER A 59 22.028 6.856 -24.138 1.00 0.00 O ATOM 837 CB SER A 59 19.487 6.807 -25.796 1.00 0.00 C ATOM 838 OG SER A 59 19.772 6.249 -27.067 1.00 0.00 O ATOM 0 H SER A 59 19.299 7.251 -23.225 1.00 0.00 H new ATOM 0 HA SER A 59 19.581 4.849 -24.915 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.420 7.017 -25.719 1.00 0.00 H new ATOM 0 HB3 SER A 59 20.008 7.759 -25.688 1.00 0.00 H new ATOM 0 HG SER A 59 19.492 6.873 -27.769 1.00 0.00 H new ATOM 844 N GLY A 60 22.044 4.728 -24.866 1.00 0.00 N ATOM 845 CA GLY A 60 23.488 4.616 -24.773 1.00 0.00 C ATOM 846 C GLY A 60 23.951 3.178 -24.642 1.00 0.00 C ATOM 847 O GLY A 60 24.611 2.632 -25.527 1.00 0.00 O ATOM 0 H GLY A 60 21.569 3.888 -25.197 1.00 0.00 H new ATOM 0 HA2 GLY A 60 23.942 5.061 -25.658 1.00 0.00 H new ATOM 0 HA3 GLY A 60 23.839 5.187 -23.914 1.00 0.00 H new ATOM 851 N PRO A 61 23.604 2.542 -23.513 1.00 0.00 N ATOM 852 CA PRO A 61 23.979 1.151 -23.242 1.00 0.00 C ATOM 853 C PRO A 61 23.240 0.165 -24.141 1.00 0.00 C ATOM 854 O PRO A 61 23.238 -1.039 -23.887 1.00 0.00 O ATOM 855 CB PRO A 61 23.570 0.952 -21.780 1.00 0.00 C ATOM 856 CG PRO A 61 22.484 1.946 -21.553 1.00 0.00 C ATOM 857 CD PRO A 61 22.819 3.131 -22.416 1.00 0.00 C ATOM 0 HA PRO A 61 25.037 0.970 -23.432 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.220 -0.065 -21.602 1.00 0.00 H new ATOM 0 HB3 PRO A 61 24.410 1.123 -21.107 1.00 0.00 H new ATOM 0 HG2 PRO A 61 21.513 1.530 -21.821 1.00 0.00 H new ATOM 0 HG3 PRO A 61 22.430 2.231 -20.502 1.00 0.00 H new ATOM 0 HD2 PRO A 61 21.921 3.626 -22.785 1.00 0.00 H new ATOM 0 HD3 PRO A 61 23.392 3.878 -21.868 1.00 0.00 H new ATOM 865 N SER A 62 22.615 0.685 -25.192 1.00 0.00 N ATOM 866 CA SER A 62 21.870 -0.150 -26.128 1.00 0.00 C ATOM 867 C SER A 62 22.477 -1.547 -26.212 1.00 0.00 C ATOM 868 O SER A 62 23.586 -1.724 -26.717 1.00 0.00 O ATOM 869 CB SER A 62 21.850 0.495 -27.515 1.00 0.00 C ATOM 870 OG SER A 62 23.164 0.662 -28.018 1.00 0.00 O ATOM 0 H SER A 62 22.609 1.680 -25.417 1.00 0.00 H new ATOM 0 HA SER A 62 20.847 -0.239 -25.762 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.271 -0.125 -28.200 1.00 0.00 H new ATOM 0 HB3 SER A 62 21.351 1.463 -27.462 1.00 0.00 H new ATOM 0 HG SER A 62 23.709 -0.116 -27.775 1.00 0.00 H new ATOM 876 N SER A 63 21.742 -2.536 -25.714 1.00 0.00 N ATOM 877 CA SER A 63 22.209 -3.917 -25.729 1.00 0.00 C ATOM 878 C SER A 63 21.170 -4.835 -26.368 1.00 0.00 C ATOM 879 O SER A 63 20.014 -4.868 -25.949 1.00 0.00 O ATOM 880 CB SER A 63 22.516 -4.389 -24.307 1.00 0.00 C ATOM 881 OG SER A 63 21.419 -4.153 -23.442 1.00 0.00 O ATOM 0 H SER A 63 20.821 -2.407 -25.295 1.00 0.00 H new ATOM 0 HA SER A 63 23.121 -3.960 -26.324 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.753 -5.453 -24.317 1.00 0.00 H new ATOM 0 HB3 SER A 63 23.398 -3.870 -23.931 1.00 0.00 H new ATOM 0 HG SER A 63 20.582 -4.325 -23.921 1.00 0.00 H new ATOM 887 N GLY A 64 21.593 -5.579 -27.386 1.00 0.00 N ATOM 888 CA GLY A 64 20.688 -6.486 -28.067 1.00 0.00 C ATOM 889 C GLY A 64 21.324 -7.136 -29.280 1.00 0.00 C ATOM 890 O GLY A 64 22.460 -6.802 -29.612 1.00 0.00 O ATOM 0 H GLY A 64 22.546 -5.570 -27.751 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.363 -7.260 -27.372 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.796 -5.941 -28.376 1.00 0.00 H new TER 894 GLY A 64 HETATM 895 ZN ZN A 201 -5.034 -3.637 3.164 1.00 0.00 ZN HETATM 896 ZN ZN A 401 2.180 2.534 -4.573 1.00 0.00 ZN