USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=17 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+ -131:sc= 0.022 (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 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= -2.32! C(o=-2.3!,f=-3!) USER MOD Single : A 26 GLN : amide:sc= -0.586 K(o=-0.59,f=-3!) USER MOD Single : A 27 ASN : amide:sc= -0.313 K(o=-0.31,f=-1.1) USER MOD Single : A 31 THR OG1 : rot 101:sc= 1.08 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0928 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -5.09! C(o=-5.1!,f=-6.2!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00551 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.459 K(o=-0.46,f=-2.4!) USER MOD Single : A 59 THR OG1 : rot -47:sc= 1.14 USER MOD Single : A 64 ASN : amide:sc= 0.153 X(o=0.15,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 162:sc= -6.26! (180deg=-7.69!) USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00429) 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 24:sc= 0.931 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.975 -33.784 26.546 1.00 0.00 N ATOM 2 CA GLY A 1 -4.807 -34.579 26.216 1.00 0.00 C ATOM 3 C GLY A 1 -3.813 -33.821 25.360 1.00 0.00 C ATOM 4 O GLY A 1 -3.699 -32.599 25.463 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.158 -33.843 27.568 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.806 -32.793 26.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.800 -34.146 26.025 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.319 -34.901 27.136 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.122 -35.480 25.690 1.00 0.00 H new ATOM 8 N SER A 2 -3.089 -34.546 24.513 1.00 0.00 N ATOM 9 CA SER A 2 -2.095 -33.934 23.639 1.00 0.00 C ATOM 10 C SER A 2 -2.748 -33.385 22.374 1.00 0.00 C ATOM 11 O SER A 2 -2.856 -34.081 21.365 1.00 0.00 O ATOM 12 CB SER A 2 -1.015 -34.953 23.268 1.00 0.00 C ATOM 13 OG SER A 2 0.209 -34.310 22.961 1.00 0.00 O ATOM 0 H SER A 2 -3.172 -35.558 24.414 1.00 0.00 H new ATOM 0 HA SER A 2 -1.634 -33.106 24.178 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.867 -35.648 24.095 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.345 -35.542 22.412 1.00 0.00 H new ATOM 0 HG SER A 2 0.883 -34.983 22.729 1.00 0.00 H new ATOM 19 N SER A 3 -3.181 -32.130 22.437 1.00 0.00 N ATOM 20 CA SER A 3 -3.827 -31.486 21.300 1.00 0.00 C ATOM 21 C SER A 3 -3.547 -29.987 21.292 1.00 0.00 C ATOM 22 O SER A 3 -3.287 -29.387 22.335 1.00 0.00 O ATOM 23 CB SER A 3 -5.337 -31.734 21.336 1.00 0.00 C ATOM 24 OG SER A 3 -5.929 -31.460 20.078 1.00 0.00 O ATOM 0 H SER A 3 -3.096 -31.539 23.264 1.00 0.00 H new ATOM 0 HA SER A 3 -3.416 -31.919 20.388 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.532 -32.769 21.615 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.794 -31.106 22.101 1.00 0.00 H new ATOM 0 HG SER A 3 -6.893 -31.628 20.127 1.00 0.00 H new ATOM 30 N GLY A 4 -3.602 -29.386 20.107 1.00 0.00 N ATOM 31 CA GLY A 4 -3.351 -27.962 19.985 1.00 0.00 C ATOM 32 C GLY A 4 -4.528 -27.216 19.389 1.00 0.00 C ATOM 33 O GLY A 4 -5.593 -27.794 19.171 1.00 0.00 O ATOM 0 H GLY A 4 -3.816 -29.860 19.230 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.124 -27.550 20.968 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.471 -27.803 19.362 1.00 0.00 H new ATOM 37 N SER A 5 -4.338 -25.927 19.126 1.00 0.00 N ATOM 38 CA SER A 5 -5.394 -25.098 18.557 1.00 0.00 C ATOM 39 C SER A 5 -5.505 -25.317 17.051 1.00 0.00 C ATOM 40 O SER A 5 -4.952 -24.553 16.259 1.00 0.00 O ATOM 41 CB SER A 5 -5.128 -23.621 18.851 1.00 0.00 C ATOM 42 OG SER A 5 -5.124 -23.371 20.246 1.00 0.00 O ATOM 0 H SER A 5 -3.462 -25.434 19.298 1.00 0.00 H new ATOM 0 HA SER A 5 -6.337 -25.388 19.019 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.169 -23.329 18.423 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.891 -23.008 18.371 1.00 0.00 H new ATOM 0 HG SER A 5 -4.950 -22.420 20.407 1.00 0.00 H new ATOM 48 N SER A 6 -6.222 -26.366 16.663 1.00 0.00 N ATOM 49 CA SER A 6 -6.402 -26.690 15.252 1.00 0.00 C ATOM 50 C SER A 6 -7.879 -26.892 14.926 1.00 0.00 C ATOM 51 O SER A 6 -8.393 -28.008 14.990 1.00 0.00 O ATOM 52 CB SER A 6 -5.611 -27.948 14.890 1.00 0.00 C ATOM 53 OG SER A 6 -5.949 -28.407 13.593 1.00 0.00 O ATOM 0 H SER A 6 -6.688 -27.007 17.305 1.00 0.00 H new ATOM 0 HA SER A 6 -6.028 -25.853 14.662 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.543 -27.736 14.937 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.813 -28.731 15.621 1.00 0.00 H new ATOM 0 HG SER A 6 -5.429 -29.211 13.385 1.00 0.00 H new ATOM 59 N GLY A 7 -8.556 -25.803 14.576 1.00 0.00 N ATOM 60 CA GLY A 7 -9.967 -25.880 14.244 1.00 0.00 C ATOM 61 C GLY A 7 -10.357 -24.919 13.139 1.00 0.00 C ATOM 62 O GLY A 7 -11.349 -24.200 13.254 1.00 0.00 O ATOM 0 H GLY A 7 -8.153 -24.868 14.516 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.210 -26.898 13.938 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.559 -25.665 15.134 1.00 0.00 H new ATOM 66 N GLY A 8 -9.573 -24.904 12.065 1.00 0.00 N ATOM 67 CA GLY A 8 -9.857 -24.018 10.952 1.00 0.00 C ATOM 68 C GLY A 8 -8.840 -22.902 10.824 1.00 0.00 C ATOM 69 O GLY A 8 -8.762 -22.023 11.682 1.00 0.00 O ATOM 0 H GLY A 8 -8.746 -25.490 11.946 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.876 -24.596 10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.850 -23.587 11.079 1.00 0.00 H new ATOM 73 N SER A 9 -8.056 -22.937 9.751 1.00 0.00 N ATOM 74 CA SER A 9 -7.034 -21.923 9.518 1.00 0.00 C ATOM 75 C SER A 9 -7.118 -21.386 8.092 1.00 0.00 C ATOM 76 O SER A 9 -7.810 -21.950 7.245 1.00 0.00 O ATOM 77 CB SER A 9 -5.642 -22.503 9.775 1.00 0.00 C ATOM 78 OG SER A 9 -5.329 -23.514 8.832 1.00 0.00 O ATOM 0 H SER A 9 -8.109 -23.656 9.030 1.00 0.00 H new ATOM 0 HA SER A 9 -7.210 -21.099 10.210 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.898 -21.708 9.721 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.597 -22.915 10.783 1.00 0.00 H new ATOM 0 HG SER A 9 -4.434 -23.868 9.016 1.00 0.00 H new ATOM 84 N GLU A 10 -6.409 -20.291 7.836 1.00 0.00 N ATOM 85 CA GLU A 10 -6.404 -19.676 6.514 1.00 0.00 C ATOM 86 C GLU A 10 -4.984 -19.316 6.087 1.00 0.00 C ATOM 87 O GLU A 10 -4.121 -19.055 6.924 1.00 0.00 O ATOM 88 CB GLU A 10 -7.284 -18.424 6.506 1.00 0.00 C ATOM 89 CG GLU A 10 -6.662 -17.239 7.227 1.00 0.00 C ATOM 90 CD GLU A 10 -6.243 -17.574 8.645 1.00 0.00 C ATOM 91 OE1 GLU A 10 -7.111 -18.001 9.434 1.00 0.00 O ATOM 92 OE2 GLU A 10 -5.048 -17.407 8.966 1.00 0.00 O ATOM 0 H GLU A 10 -5.831 -19.812 8.526 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.806 -20.398 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.492 -18.142 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.241 -18.660 6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.793 -16.893 6.667 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.376 -16.416 7.248 1.00 0.00 H new ATOM 99 N GLU A 11 -4.751 -19.307 4.778 1.00 0.00 N ATOM 100 CA GLU A 11 -3.436 -18.981 4.240 1.00 0.00 C ATOM 101 C GLU A 11 -3.411 -17.558 3.688 1.00 0.00 C ATOM 102 O GLU A 11 -2.944 -17.322 2.574 1.00 0.00 O ATOM 103 CB GLU A 11 -3.050 -19.973 3.140 1.00 0.00 C ATOM 104 CG GLU A 11 -1.614 -19.826 2.665 1.00 0.00 C ATOM 105 CD GLU A 11 -1.103 -21.069 1.962 1.00 0.00 C ATOM 106 OE1 GLU A 11 -1.279 -21.167 0.729 1.00 0.00 O ATOM 107 OE2 GLU A 11 -0.527 -21.942 2.644 1.00 0.00 O ATOM 0 H GLU A 11 -5.455 -19.521 4.072 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.712 -19.050 5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.200 -20.988 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.720 -19.840 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.545 -18.975 1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.973 -19.606 3.519 1.00 0.00 H new ATOM 114 N GLU A 12 -3.917 -16.615 4.476 1.00 0.00 N ATOM 115 CA GLU A 12 -3.954 -15.216 4.066 1.00 0.00 C ATOM 116 C GLU A 12 -3.168 -14.343 5.039 1.00 0.00 C ATOM 117 O GLU A 12 -3.747 -13.680 5.900 1.00 0.00 O ATOM 118 CB GLU A 12 -5.401 -14.726 3.977 1.00 0.00 C ATOM 119 CG GLU A 12 -5.575 -13.500 3.096 1.00 0.00 C ATOM 120 CD GLU A 12 -7.000 -13.334 2.603 1.00 0.00 C ATOM 121 OE1 GLU A 12 -7.422 -14.122 1.731 1.00 0.00 O ATOM 122 OE2 GLU A 12 -7.692 -12.416 3.090 1.00 0.00 O ATOM 0 H GLU A 12 -4.307 -16.794 5.401 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.491 -15.140 3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.026 -15.532 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.760 -14.496 4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.282 -12.611 3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.904 -13.574 2.240 1.00 0.00 H new ATOM 129 N GLU A 13 -1.847 -14.348 4.896 1.00 0.00 N ATOM 130 CA GLU A 13 -0.982 -13.557 5.764 1.00 0.00 C ATOM 131 C GLU A 13 -1.389 -12.087 5.744 1.00 0.00 C ATOM 132 O GLU A 13 -1.314 -11.397 6.762 1.00 0.00 O ATOM 133 CB GLU A 13 0.479 -13.698 5.330 1.00 0.00 C ATOM 134 CG GLU A 13 1.431 -12.796 6.097 1.00 0.00 C ATOM 135 CD GLU A 13 1.516 -13.153 7.568 1.00 0.00 C ATOM 136 OE1 GLU A 13 1.198 -14.308 7.918 1.00 0.00 O ATOM 137 OE2 GLU A 13 1.902 -12.276 8.370 1.00 0.00 O ATOM 0 H GLU A 13 -1.352 -14.890 4.188 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.090 -13.933 6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.790 -14.735 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.557 -13.473 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.424 -12.862 5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.105 -11.761 5.997 1.00 0.00 H new ATOM 144 N ILE A 14 -1.820 -11.614 4.580 1.00 0.00 N ATOM 145 CA ILE A 14 -2.240 -10.226 4.428 1.00 0.00 C ATOM 146 C ILE A 14 -2.897 -9.708 5.703 1.00 0.00 C ATOM 147 O ILE A 14 -3.807 -10.325 6.257 1.00 0.00 O ATOM 148 CB ILE A 14 -3.223 -10.061 3.254 1.00 0.00 C ATOM 149 CG1 ILE A 14 -2.477 -10.144 1.920 1.00 0.00 C ATOM 150 CG2 ILE A 14 -3.968 -8.739 3.368 1.00 0.00 C ATOM 151 CD1 ILE A 14 -3.389 -10.338 0.729 1.00 0.00 C ATOM 0 H ILE A 14 -1.888 -12.171 3.728 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.341 -9.645 4.223 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.951 -10.871 3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.898 -9.231 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.766 -10.969 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.659 -8.637 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.526 -8.715 4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.253 -7.916 3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.792 -10.388 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.949 -11.265 0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.083 -9.501 0.662 1.00 0.00 H new ATOM 163 N PRO A 15 -2.429 -8.545 6.179 1.00 0.00 N ATOM 164 CA PRO A 15 -2.958 -7.916 7.393 1.00 0.00 C ATOM 165 C PRO A 15 -4.372 -7.379 7.198 1.00 0.00 C ATOM 166 O PRO A 15 -4.796 -7.112 6.073 1.00 0.00 O ATOM 167 CB PRO A 15 -1.980 -6.767 7.652 1.00 0.00 C ATOM 168 CG PRO A 15 -1.405 -6.450 6.315 1.00 0.00 C ATOM 169 CD PRO A 15 -1.346 -7.754 5.569 1.00 0.00 C ATOM 0 HA PRO A 15 -3.034 -8.623 8.219 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.489 -5.903 8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.203 -7.060 8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.024 -5.726 5.786 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.412 -6.011 6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.504 -7.613 4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.378 -8.241 5.686 1.00 0.00 H new ATOM 177 N PHE A 16 -5.097 -7.221 8.300 1.00 0.00 N ATOM 178 CA PHE A 16 -6.464 -6.716 8.251 1.00 0.00 C ATOM 179 C PHE A 16 -6.517 -5.249 8.668 1.00 0.00 C ATOM 180 O PHE A 16 -7.284 -4.462 8.112 1.00 0.00 O ATOM 181 CB PHE A 16 -7.372 -7.549 9.158 1.00 0.00 C ATOM 182 CG PHE A 16 -8.785 -7.046 9.217 1.00 0.00 C ATOM 183 CD1 PHE A 16 -9.143 -6.048 10.108 1.00 0.00 C ATOM 184 CD2 PHE A 16 -9.757 -7.571 8.380 1.00 0.00 C ATOM 185 CE1 PHE A 16 -10.443 -5.582 10.165 1.00 0.00 C ATOM 186 CE2 PHE A 16 -11.059 -7.109 8.431 1.00 0.00 C ATOM 187 CZ PHE A 16 -11.402 -6.114 9.326 1.00 0.00 C ATOM 0 H PHE A 16 -4.760 -7.436 9.239 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.817 -6.797 7.223 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -7.377 -8.580 8.805 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -6.956 -7.558 10.165 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.397 -5.629 10.767 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.494 -8.350 7.680 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.708 -4.803 10.865 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.807 -7.525 7.772 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.419 -5.753 9.369 1.00 0.00 H new ATOM 197 N ARG A 17 -5.697 -4.889 9.650 1.00 0.00 N ATOM 198 CA ARG A 17 -5.652 -3.518 10.143 1.00 0.00 C ATOM 199 C ARG A 17 -4.212 -3.021 10.236 1.00 0.00 C ATOM 200 O ARG A 17 -3.266 -3.797 10.095 1.00 0.00 O ATOM 201 CB ARG A 17 -6.324 -3.424 11.514 1.00 0.00 C ATOM 202 CG ARG A 17 -5.468 -3.960 12.650 1.00 0.00 C ATOM 203 CD ARG A 17 -5.881 -3.364 13.987 1.00 0.00 C ATOM 204 NE ARG A 17 -5.675 -4.299 15.090 1.00 0.00 N ATOM 205 CZ ARG A 17 -4.477 -4.718 15.484 1.00 0.00 C ATOM 206 NH1 ARG A 17 -3.385 -4.287 14.868 1.00 0.00 N ATOM 207 NH2 ARG A 17 -4.371 -5.570 16.495 1.00 0.00 N ATOM 0 H ARG A 17 -5.055 -5.528 10.120 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.192 -2.887 9.437 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.571 -2.382 11.717 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.264 -3.975 11.487 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.555 -5.046 12.692 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.420 -3.731 12.457 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.309 -2.455 14.171 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.932 -3.077 13.947 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.495 -4.649 15.585 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.463 -3.632 14.090 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.467 -4.610 15.172 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.209 -5.904 16.971 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.451 -5.891 16.797 1.00 0.00 H new ATOM 221 N CYS A 18 -4.053 -1.723 10.472 1.00 0.00 N ATOM 222 CA CYS A 18 -2.730 -1.122 10.583 1.00 0.00 C ATOM 223 C CYS A 18 -2.009 -1.618 11.833 1.00 0.00 C ATOM 224 O CYS A 18 -2.633 -2.148 12.753 1.00 0.00 O ATOM 225 CB CYS A 18 -2.842 0.404 10.618 1.00 0.00 C ATOM 226 SG CYS A 18 -1.252 1.260 10.862 1.00 0.00 S ATOM 0 H CYS A 18 -4.825 -1.067 10.590 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.150 -1.418 9.709 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.287 0.747 9.684 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.523 0.690 11.420 1.00 0.00 H new ATOM 231 N PHE A 19 -0.692 -1.443 11.859 1.00 0.00 N ATOM 232 CA PHE A 19 0.114 -1.874 12.995 1.00 0.00 C ATOM 233 C PHE A 19 0.685 -0.673 13.743 1.00 0.00 C ATOM 234 O PHE A 19 0.892 -0.725 14.956 1.00 0.00 O ATOM 235 CB PHE A 19 1.251 -2.784 12.525 1.00 0.00 C ATOM 236 CG PHE A 19 1.739 -2.467 11.140 1.00 0.00 C ATOM 237 CD1 PHE A 19 1.026 -2.884 10.028 1.00 0.00 C ATOM 238 CD2 PHE A 19 2.911 -1.752 10.951 1.00 0.00 C ATOM 239 CE1 PHE A 19 1.472 -2.594 8.752 1.00 0.00 C ATOM 240 CE2 PHE A 19 3.361 -1.458 9.677 1.00 0.00 C ATOM 241 CZ PHE A 19 2.641 -1.881 8.577 1.00 0.00 C ATOM 0 H PHE A 19 -0.160 -1.006 11.106 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.530 -2.431 13.675 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.084 -2.701 13.223 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.912 -3.820 12.554 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.111 -3.442 10.159 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.479 -1.421 11.808 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.907 -2.925 7.893 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.275 -0.898 9.542 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.992 -1.654 7.581 1.00 0.00 H new ATOM 251 N ILE A 20 0.937 0.407 13.012 1.00 0.00 N ATOM 252 CA ILE A 20 1.483 1.621 13.605 1.00 0.00 C ATOM 253 C ILE A 20 0.504 2.235 14.601 1.00 0.00 C ATOM 254 O ILE A 20 0.902 2.734 15.654 1.00 0.00 O ATOM 255 CB ILE A 20 1.828 2.668 12.530 1.00 0.00 C ATOM 256 CG1 ILE A 20 2.917 2.134 11.598 1.00 0.00 C ATOM 257 CG2 ILE A 20 2.272 3.970 13.181 1.00 0.00 C ATOM 258 CD1 ILE A 20 2.931 2.800 10.240 1.00 0.00 C ATOM 0 H ILE A 20 0.772 0.466 12.007 1.00 0.00 H new ATOM 0 HA ILE A 20 2.396 1.334 14.126 1.00 0.00 H new ATOM 0 HB ILE A 20 0.935 2.867 11.938 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.889 2.273 12.071 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.777 1.061 11.466 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.512 4.700 12.408 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.468 4.356 13.807 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.154 3.788 13.795 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.728 2.371 9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.973 2.640 9.746 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.102 3.870 10.361 1.00 0.00 H new ATOM 270 N CYS A 21 -0.780 2.193 14.261 1.00 0.00 N ATOM 271 CA CYS A 21 -1.818 2.743 15.125 1.00 0.00 C ATOM 272 C CYS A 21 -2.747 1.642 15.628 1.00 0.00 C ATOM 273 O CYS A 21 -3.488 1.834 16.592 1.00 0.00 O ATOM 274 CB CYS A 21 -2.626 3.804 14.374 1.00 0.00 C ATOM 275 SG CYS A 21 -3.313 3.231 12.787 1.00 0.00 S ATOM 0 H CYS A 21 -1.127 1.784 13.393 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.333 3.206 15.985 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.444 4.141 15.011 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.988 4.669 14.190 1.00 0.00 H new ATOM 280 N ARG A 22 -2.702 0.490 14.967 1.00 0.00 N ATOM 281 CA ARG A 22 -3.540 -0.642 15.346 1.00 0.00 C ATOM 282 C ARG A 22 -5.014 -0.333 15.100 1.00 0.00 C ATOM 283 O ARG A 22 -5.879 -0.732 15.878 1.00 0.00 O ATOM 284 CB ARG A 22 -3.321 -0.995 16.819 1.00 0.00 C ATOM 285 CG ARG A 22 -1.867 -1.263 17.171 1.00 0.00 C ATOM 286 CD ARG A 22 -1.359 -2.534 16.510 1.00 0.00 C ATOM 287 NE ARG A 22 -1.589 -3.713 17.340 1.00 0.00 N ATOM 288 CZ ARG A 22 -0.808 -4.060 18.357 1.00 0.00 C ATOM 289 NH1 ARG A 22 0.248 -3.321 18.668 1.00 0.00 N ATOM 290 NH2 ARG A 22 -1.083 -5.147 19.066 1.00 0.00 N ATOM 0 H ARG A 22 -2.094 0.316 14.167 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.257 -1.495 14.729 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.691 -0.178 17.439 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.914 -1.876 17.065 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.254 -0.418 16.857 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.763 -1.348 18.253 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.855 -2.665 15.548 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.292 -2.436 16.308 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.394 -4.303 17.127 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.462 -2.484 18.126 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.846 -3.590 19.449 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.895 -5.718 18.830 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.482 -5.412 19.847 1.00 0.00 H new ATOM 304 N GLN A 23 -5.290 0.380 14.013 1.00 0.00 N ATOM 305 CA GLN A 23 -6.659 0.742 13.665 1.00 0.00 C ATOM 306 C GLN A 23 -6.990 0.313 12.240 1.00 0.00 C ATOM 307 O GLN A 23 -6.114 -0.117 11.490 1.00 0.00 O ATOM 308 CB GLN A 23 -6.863 2.251 13.816 1.00 0.00 C ATOM 309 CG GLN A 23 -5.876 2.906 14.768 1.00 0.00 C ATOM 310 CD GLN A 23 -6.286 2.766 16.221 1.00 0.00 C ATOM 311 OE1 GLN A 23 -7.359 2.246 16.528 1.00 0.00 O ATOM 312 NE2 GLN A 23 -5.431 3.231 17.125 1.00 0.00 N ATOM 0 H GLN A 23 -4.585 0.718 13.359 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.331 0.221 14.347 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.776 2.721 12.836 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.876 2.439 14.171 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.891 2.460 14.628 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.785 3.964 14.520 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.553 3.655 16.826 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.653 3.164 18.118 1.00 0.00 H new ATOM 321 N ALA A 24 -8.262 0.431 11.872 1.00 0.00 N ATOM 322 CA ALA A 24 -8.709 0.056 10.536 1.00 0.00 C ATOM 323 C ALA A 24 -7.858 0.728 9.464 1.00 0.00 C ATOM 324 O ALA A 24 -7.625 1.936 9.509 1.00 0.00 O ATOM 325 CB ALA A 24 -10.176 0.415 10.351 1.00 0.00 C ATOM 0 H ALA A 24 -9.001 0.783 12.481 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.594 -1.023 10.430 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.497 0.130 9.349 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.777 -0.116 11.089 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.307 1.489 10.482 1.00 0.00 H new ATOM 331 N PHE A 25 -7.396 -0.062 8.500 1.00 0.00 N ATOM 332 CA PHE A 25 -6.569 0.457 7.417 1.00 0.00 C ATOM 333 C PHE A 25 -7.275 1.600 6.694 1.00 0.00 C ATOM 334 O PHE A 25 -8.268 1.389 5.999 1.00 0.00 O ATOM 335 CB PHE A 25 -6.232 -0.658 6.425 1.00 0.00 C ATOM 336 CG PHE A 25 -4.990 -1.423 6.783 1.00 0.00 C ATOM 337 CD1 PHE A 25 -3.809 -0.757 7.070 1.00 0.00 C ATOM 338 CD2 PHE A 25 -5.003 -2.808 6.831 1.00 0.00 C ATOM 339 CE1 PHE A 25 -2.664 -1.458 7.399 1.00 0.00 C ATOM 340 CE2 PHE A 25 -3.861 -3.514 7.160 1.00 0.00 C ATOM 341 CZ PHE A 25 -2.690 -2.838 7.443 1.00 0.00 C ATOM 0 H PHE A 25 -7.580 -1.064 8.447 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.645 0.840 7.850 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.072 -1.350 6.369 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.109 -0.225 5.432 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.783 0.322 7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.915 -3.342 6.609 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.750 -0.927 7.621 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.884 -4.593 7.196 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.796 -3.388 7.698 1.00 0.00 H new ATOM 351 N GLN A 26 -6.754 2.811 6.864 1.00 0.00 N ATOM 352 CA GLN A 26 -7.335 3.988 6.229 1.00 0.00 C ATOM 353 C GLN A 26 -6.427 4.513 5.121 1.00 0.00 C ATOM 354 O GLN A 26 -5.410 5.152 5.390 1.00 0.00 O ATOM 355 CB GLN A 26 -7.580 5.085 7.266 1.00 0.00 C ATOM 356 CG GLN A 26 -8.745 4.792 8.198 1.00 0.00 C ATOM 357 CD GLN A 26 -10.090 4.925 7.511 1.00 0.00 C ATOM 358 OE1 GLN A 26 -10.402 4.181 6.581 1.00 0.00 O ATOM 359 NE2 GLN A 26 -10.896 5.878 7.966 1.00 0.00 N ATOM 0 H GLN A 26 -5.931 3.003 7.436 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.288 3.697 5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.676 5.221 7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.767 6.027 6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.642 3.782 8.595 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.706 5.474 9.047 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.597 6.472 8.739 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.814 6.015 7.542 1.00 0.00 H new ATOM 368 N ASN A 27 -6.801 4.239 3.876 1.00 0.00 N ATOM 369 CA ASN A 27 -6.019 4.683 2.728 1.00 0.00 C ATOM 370 C ASN A 27 -4.610 4.100 2.771 1.00 0.00 C ATOM 371 O ASN A 27 -3.613 4.815 2.675 1.00 0.00 O ATOM 372 CB ASN A 27 -5.951 6.211 2.691 1.00 0.00 C ATOM 373 CG ASN A 27 -7.250 6.859 3.128 1.00 0.00 C ATOM 374 OD1 ASN A 27 -8.331 6.306 2.925 1.00 0.00 O ATOM 375 ND2 ASN A 27 -7.150 8.037 3.732 1.00 0.00 N ATOM 0 H ASN A 27 -7.641 3.712 3.636 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.512 4.326 1.824 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.143 6.552 3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.708 6.537 1.680 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.990 8.521 4.049 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.233 8.458 3.879 1.00 0.00 H new ATOM 382 N PRO A 28 -4.524 2.769 2.917 1.00 0.00 N ATOM 383 CA PRO A 28 -3.243 2.060 2.975 1.00 0.00 C ATOM 384 C PRO A 28 -2.521 2.057 1.632 1.00 0.00 C ATOM 385 O PRO A 28 -3.150 1.976 0.578 1.00 0.00 O ATOM 386 CB PRO A 28 -3.642 0.637 3.371 1.00 0.00 C ATOM 387 CG PRO A 28 -5.048 0.493 2.900 1.00 0.00 C ATOM 388 CD PRO A 28 -5.672 1.855 3.037 1.00 0.00 C ATOM 0 HA PRO A 28 -2.548 2.531 3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.990 -0.101 2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.568 0.491 4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.080 0.151 1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.586 -0.244 3.496 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.414 2.037 2.260 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.179 1.970 3.995 1.00 0.00 H new ATOM 396 N VAL A 29 -1.195 2.146 1.678 1.00 0.00 N ATOM 397 CA VAL A 29 -0.387 2.152 0.464 1.00 0.00 C ATOM 398 C VAL A 29 0.640 1.026 0.483 1.00 0.00 C ATOM 399 O VAL A 29 1.230 0.726 1.521 1.00 0.00 O ATOM 400 CB VAL A 29 0.344 3.496 0.283 1.00 0.00 C ATOM 401 CG1 VAL A 29 -0.644 4.598 -0.069 1.00 0.00 C ATOM 402 CG2 VAL A 29 1.126 3.850 1.538 1.00 0.00 C ATOM 0 H VAL A 29 -0.658 2.215 2.542 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.070 2.003 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 29 1.050 3.398 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.110 5.540 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.155 4.346 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.377 4.699 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.636 4.802 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.442 3.930 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.862 3.072 1.740 1.00 0.00 H new ATOM 412 N VAL A 30 0.851 0.405 -0.674 1.00 0.00 N ATOM 413 CA VAL A 30 1.809 -0.688 -0.792 1.00 0.00 C ATOM 414 C VAL A 30 3.206 -0.163 -1.100 1.00 0.00 C ATOM 415 O VAL A 30 3.376 0.740 -1.921 1.00 0.00 O ATOM 416 CB VAL A 30 1.392 -1.684 -1.890 1.00 0.00 C ATOM 417 CG1 VAL A 30 1.565 -1.062 -3.268 1.00 0.00 C ATOM 418 CG2 VAL A 30 2.192 -2.972 -1.773 1.00 0.00 C ATOM 0 H VAL A 30 0.371 0.641 -1.543 1.00 0.00 H new ATOM 0 HA VAL A 30 1.822 -1.203 0.169 1.00 0.00 H new ATOM 0 HB VAL A 30 0.338 -1.926 -1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.266 -1.780 -4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.943 -0.170 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.610 -0.790 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.884 -3.664 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.254 -2.752 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.012 -3.425 -0.798 1.00 0.00 H new ATOM 428 N THR A 31 4.207 -0.735 -0.438 1.00 0.00 N ATOM 429 CA THR A 31 5.591 -0.324 -0.641 1.00 0.00 C ATOM 430 C THR A 31 6.398 -1.428 -1.315 1.00 0.00 C ATOM 431 O THR A 31 5.882 -2.512 -1.587 1.00 0.00 O ATOM 432 CB THR A 31 6.267 0.050 0.691 1.00 0.00 C ATOM 433 OG1 THR A 31 6.005 -0.958 1.674 1.00 0.00 O ATOM 434 CG2 THR A 31 5.765 1.396 1.193 1.00 0.00 C ATOM 0 H THR A 31 4.085 -1.484 0.243 1.00 0.00 H new ATOM 0 HA THR A 31 5.569 0.553 -1.287 1.00 0.00 H new ATOM 0 HB THR A 31 7.341 0.120 0.520 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.789 -1.539 1.763 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.256 1.639 2.135 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.991 2.167 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.687 1.348 1.348 1.00 0.00 H new ATOM 442 N LYS A 32 7.669 -1.146 -1.581 1.00 0.00 N ATOM 443 CA LYS A 32 8.550 -2.116 -2.221 1.00 0.00 C ATOM 444 C LYS A 32 8.735 -3.348 -1.341 1.00 0.00 C ATOM 445 O LYS A 32 8.940 -4.455 -1.840 1.00 0.00 O ATOM 446 CB LYS A 32 9.910 -1.480 -2.519 1.00 0.00 C ATOM 447 CG LYS A 32 9.817 -0.180 -3.299 1.00 0.00 C ATOM 448 CD LYS A 32 9.466 -0.429 -4.757 1.00 0.00 C ATOM 449 CE LYS A 32 9.118 0.866 -5.475 1.00 0.00 C ATOM 450 NZ LYS A 32 9.286 0.745 -6.949 1.00 0.00 N ATOM 0 H LYS A 32 8.112 -0.253 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 32 8.087 -2.427 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.428 -1.293 -1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.517 -2.189 -3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.062 0.464 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.767 0.351 -3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.306 -0.910 -5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.623 -1.118 -4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.088 1.141 -5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.753 1.670 -5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.039 1.648 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.275 0.507 -7.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.662 -0.005 -7.309 1.00 0.00 H new ATOM 464 N CYS A 33 8.659 -3.149 -0.029 1.00 0.00 N ATOM 465 CA CYS A 33 8.816 -4.244 0.920 1.00 0.00 C ATOM 466 C CYS A 33 7.528 -5.053 1.036 1.00 0.00 C ATOM 467 O CYS A 33 7.388 -5.892 1.926 1.00 0.00 O ATOM 468 CB CYS A 33 9.216 -3.701 2.294 1.00 0.00 C ATOM 469 SG CYS A 33 8.265 -2.240 2.822 1.00 0.00 S ATOM 0 H CYS A 33 8.490 -2.240 0.401 1.00 0.00 H new ATOM 0 HA CYS A 33 9.604 -4.901 0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.090 -4.490 3.035 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.275 -3.445 2.277 1.00 0.00 H new ATOM 474 N ARG A 34 6.590 -4.795 0.130 1.00 0.00 N ATOM 475 CA ARG A 34 5.313 -5.498 0.131 1.00 0.00 C ATOM 476 C ARG A 34 4.588 -5.307 1.460 1.00 0.00 C ATOM 477 O ARG A 34 4.130 -6.271 2.074 1.00 0.00 O ATOM 478 CB ARG A 34 5.528 -6.990 -0.134 1.00 0.00 C ATOM 479 CG ARG A 34 5.990 -7.296 -1.549 1.00 0.00 C ATOM 480 CD ARG A 34 4.812 -7.471 -2.495 1.00 0.00 C ATOM 481 NE ARG A 34 5.189 -8.182 -3.714 1.00 0.00 N ATOM 482 CZ ARG A 34 4.323 -8.830 -4.484 1.00 0.00 C ATOM 483 NH1 ARG A 34 3.037 -8.858 -4.164 1.00 0.00 N ATOM 484 NH2 ARG A 34 4.743 -9.453 -5.578 1.00 0.00 N ATOM 0 H ARG A 34 6.691 -4.104 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 34 4.696 -5.079 -0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.266 -7.373 0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.597 -7.523 0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.628 -6.488 -1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.594 -8.203 -1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.018 -8.018 -1.987 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.409 -6.493 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 34 6.171 -8.181 -3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.710 -8.381 -3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.374 -9.357 -4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.732 -9.434 -5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.077 -9.951 -6.169 1.00 0.00 H new ATOM 498 N HIS A 35 4.487 -4.056 1.898 1.00 0.00 N ATOM 499 CA HIS A 35 3.817 -3.737 3.153 1.00 0.00 C ATOM 500 C HIS A 35 2.791 -2.625 2.955 1.00 0.00 C ATOM 501 O HIS A 35 2.855 -1.875 1.981 1.00 0.00 O ATOM 502 CB HIS A 35 4.840 -3.320 4.210 1.00 0.00 C ATOM 503 CG HIS A 35 5.604 -4.471 4.791 1.00 0.00 C ATOM 504 ND1 HIS A 35 6.749 -4.311 5.542 1.00 0.00 N ATOM 505 CD2 HIS A 35 5.380 -5.804 4.727 1.00 0.00 C ATOM 506 CE1 HIS A 35 7.197 -5.496 5.915 1.00 0.00 C ATOM 507 NE2 HIS A 35 6.384 -6.419 5.433 1.00 0.00 N ATOM 0 H HIS A 35 4.861 -3.247 1.402 1.00 0.00 H new ATOM 0 HA HIS A 35 3.296 -4.631 3.495 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.543 -2.615 3.766 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.326 -2.793 5.014 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.564 -6.293 4.216 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.078 -5.679 6.512 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.486 -7.425 5.564 1.00 0.00 H new ATOM 515 N TYR A 36 1.847 -2.525 3.884 1.00 0.00 N ATOM 516 CA TYR A 36 0.806 -1.507 3.810 1.00 0.00 C ATOM 517 C TYR A 36 0.812 -0.629 5.057 1.00 0.00 C ATOM 518 O TYR A 36 1.119 -1.093 6.156 1.00 0.00 O ATOM 519 CB TYR A 36 -0.566 -2.162 3.640 1.00 0.00 C ATOM 520 CG TYR A 36 -0.552 -3.371 2.732 1.00 0.00 C ATOM 521 CD1 TYR A 36 -0.347 -3.234 1.364 1.00 0.00 C ATOM 522 CD2 TYR A 36 -0.744 -4.649 3.241 1.00 0.00 C ATOM 523 CE1 TYR A 36 -0.334 -4.336 0.531 1.00 0.00 C ATOM 524 CE2 TYR A 36 -0.731 -5.756 2.415 1.00 0.00 C ATOM 525 CZ TYR A 36 -0.526 -5.594 1.061 1.00 0.00 C ATOM 526 OH TYR A 36 -0.513 -6.695 0.235 1.00 0.00 O ATOM 0 H TYR A 36 1.781 -3.137 4.697 1.00 0.00 H new ATOM 0 HA TYR A 36 1.011 -0.877 2.944 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.942 -2.458 4.619 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.264 -1.426 3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.195 -2.250 0.946 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.906 -4.779 4.301 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.174 -4.213 -0.530 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.881 -6.743 2.827 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.662 -7.505 0.767 1.00 0.00 H new ATOM 536 N PHE A 37 0.471 0.643 4.880 1.00 0.00 N ATOM 537 CA PHE A 37 0.437 1.588 5.990 1.00 0.00 C ATOM 538 C PHE A 37 -0.544 2.722 5.709 1.00 0.00 C ATOM 539 O PHE A 37 -0.685 3.168 4.570 1.00 0.00 O ATOM 540 CB PHE A 37 1.834 2.158 6.245 1.00 0.00 C ATOM 541 CG PHE A 37 2.940 1.182 5.962 1.00 0.00 C ATOM 542 CD1 PHE A 37 3.246 0.821 4.659 1.00 0.00 C ATOM 543 CD2 PHE A 37 3.674 0.627 6.997 1.00 0.00 C ATOM 544 CE1 PHE A 37 4.264 -0.076 4.395 1.00 0.00 C ATOM 545 CE2 PHE A 37 4.693 -0.270 6.739 1.00 0.00 C ATOM 546 CZ PHE A 37 4.988 -0.623 5.436 1.00 0.00 C ATOM 0 H PHE A 37 0.214 1.043 3.978 1.00 0.00 H new ATOM 0 HA PHE A 37 0.102 1.054 6.879 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.975 3.044 5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.902 2.481 7.284 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.683 1.245 3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.447 0.898 8.017 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.493 -0.349 3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.258 -0.695 7.555 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.783 -1.325 5.232 1.00 0.00 H new ATOM 556 N CYS A 38 -1.221 3.184 6.755 1.00 0.00 N ATOM 557 CA CYS A 38 -2.189 4.265 6.623 1.00 0.00 C ATOM 558 C CYS A 38 -1.561 5.480 5.945 1.00 0.00 C ATOM 559 O CYS A 38 -0.504 5.955 6.359 1.00 0.00 O ATOM 560 CB CYS A 38 -2.735 4.660 7.997 1.00 0.00 C ATOM 561 SG CYS A 38 -3.312 3.253 9.000 1.00 0.00 S ATOM 0 H CYS A 38 -1.116 2.826 7.704 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.010 3.908 6.001 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.957 5.190 8.547 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.561 5.358 7.861 1.00 0.00 H new ATOM 566 N GLU A 39 -2.219 5.975 4.902 1.00 0.00 N ATOM 567 CA GLU A 39 -1.724 7.133 4.168 1.00 0.00 C ATOM 568 C GLU A 39 -1.120 8.163 5.118 1.00 0.00 C ATOM 569 O GLU A 39 -0.175 8.870 4.766 1.00 0.00 O ATOM 570 CB GLU A 39 -2.854 7.772 3.357 1.00 0.00 C ATOM 571 CG GLU A 39 -2.397 8.928 2.483 1.00 0.00 C ATOM 572 CD GLU A 39 -3.483 9.966 2.275 1.00 0.00 C ATOM 573 OE1 GLU A 39 -3.991 10.502 3.282 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.824 10.243 1.106 1.00 0.00 O ATOM 0 H GLU A 39 -3.095 5.593 4.547 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.945 6.792 3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.313 7.010 2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.625 8.127 4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.528 9.403 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.078 8.543 1.515 1.00 0.00 H new ATOM 581 N SER A 40 -1.672 8.242 6.324 1.00 0.00 N ATOM 582 CA SER A 40 -1.191 9.188 7.325 1.00 0.00 C ATOM 583 C SER A 40 0.042 8.643 8.039 1.00 0.00 C ATOM 584 O SER A 40 1.033 9.351 8.218 1.00 0.00 O ATOM 585 CB SER A 40 -2.293 9.490 8.343 1.00 0.00 C ATOM 586 OG SER A 40 -1.978 10.639 9.109 1.00 0.00 O ATOM 0 H SER A 40 -2.453 7.663 6.632 1.00 0.00 H new ATOM 0 HA SER A 40 -0.915 10.111 6.815 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.239 9.643 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.426 8.634 9.004 1.00 0.00 H new ATOM 0 HG SER A 40 -2.698 10.812 9.751 1.00 0.00 H new ATOM 592 N CYS A 41 -0.028 7.380 8.446 1.00 0.00 N ATOM 593 CA CYS A 41 1.081 6.738 9.142 1.00 0.00 C ATOM 594 C CYS A 41 2.336 6.729 8.274 1.00 0.00 C ATOM 595 O CYS A 41 3.427 7.058 8.739 1.00 0.00 O ATOM 596 CB CYS A 41 0.706 5.306 9.530 1.00 0.00 C ATOM 597 SG CYS A 41 -0.413 5.193 10.963 1.00 0.00 S ATOM 0 H CYS A 41 -0.841 6.781 8.306 1.00 0.00 H new ATOM 0 HA CYS A 41 1.290 7.310 10.046 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.235 4.821 8.675 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.617 4.750 9.749 1.00 0.00 H new ATOM 602 N ALA A 42 2.172 6.351 7.010 1.00 0.00 N ATOM 603 CA ALA A 42 3.290 6.302 6.077 1.00 0.00 C ATOM 604 C ALA A 42 3.965 7.664 5.956 1.00 0.00 C ATOM 605 O ALA A 42 5.189 7.773 6.046 1.00 0.00 O ATOM 606 CB ALA A 42 2.818 5.822 4.712 1.00 0.00 C ATOM 0 H ALA A 42 1.276 6.074 6.609 1.00 0.00 H new ATOM 0 HA ALA A 42 4.024 5.595 6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.664 5.790 4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.389 4.824 4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.063 6.507 4.327 1.00 0.00 H new ATOM 612 N LEU A 43 3.161 8.701 5.751 1.00 0.00 N ATOM 613 CA LEU A 43 3.680 10.058 5.617 1.00 0.00 C ATOM 614 C LEU A 43 4.253 10.555 6.940 1.00 0.00 C ATOM 615 O LEU A 43 5.437 10.876 7.033 1.00 0.00 O ATOM 616 CB LEU A 43 2.577 11.003 5.138 1.00 0.00 C ATOM 617 CG LEU A 43 1.975 10.693 3.767 1.00 0.00 C ATOM 618 CD1 LEU A 43 0.740 11.545 3.521 1.00 0.00 C ATOM 619 CD2 LEU A 43 3.006 10.917 2.670 1.00 0.00 C ATOM 0 H LEU A 43 2.147 8.628 5.674 1.00 0.00 H new ATOM 0 HA LEU A 43 4.481 10.042 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.774 10.995 5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.979 12.016 5.115 1.00 0.00 H new ATOM 0 HG LEU A 43 1.677 9.645 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.326 11.310 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.005 11.337 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.013 12.600 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.561 10.692 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.334 11.956 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.862 10.264 2.837 1.00 0.00 H new ATOM 631 N GLU A 44 3.404 10.613 7.962 1.00 0.00 N ATOM 632 CA GLU A 44 3.827 11.070 9.280 1.00 0.00 C ATOM 633 C GLU A 44 5.086 10.335 9.732 1.00 0.00 C ATOM 634 O GLU A 44 6.096 10.957 10.063 1.00 0.00 O ATOM 635 CB GLU A 44 2.707 10.860 10.301 1.00 0.00 C ATOM 636 CG GLU A 44 1.745 12.032 10.398 1.00 0.00 C ATOM 637 CD GLU A 44 2.229 13.106 11.353 1.00 0.00 C ATOM 638 OE1 GLU A 44 3.224 13.786 11.025 1.00 0.00 O ATOM 639 OE2 GLU A 44 1.614 13.267 12.428 1.00 0.00 O ATOM 0 H GLU A 44 2.420 10.349 7.902 1.00 0.00 H new ATOM 0 HA GLU A 44 4.052 12.134 9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.148 9.963 10.035 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.149 10.681 11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.607 12.467 9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.770 11.671 10.727 1.00 0.00 H new ATOM 646 N HIS A 45 5.017 9.007 9.744 1.00 0.00 N ATOM 647 CA HIS A 45 6.151 8.187 10.155 1.00 0.00 C ATOM 648 C HIS A 45 7.356 8.433 9.252 1.00 0.00 C ATOM 649 O HIS A 45 8.496 8.458 9.715 1.00 0.00 O ATOM 650 CB HIS A 45 5.772 6.706 10.128 1.00 0.00 C ATOM 651 CG HIS A 45 6.679 5.840 10.947 1.00 0.00 C ATOM 652 ND1 HIS A 45 6.792 5.953 12.317 1.00 0.00 N ATOM 653 CD2 HIS A 45 7.518 4.843 10.583 1.00 0.00 C ATOM 654 CE1 HIS A 45 7.662 5.063 12.759 1.00 0.00 C ATOM 655 NE2 HIS A 45 8.117 4.376 11.727 1.00 0.00 N ATOM 0 H HIS A 45 4.189 8.477 9.474 1.00 0.00 H new ATOM 0 HA HIS A 45 6.420 8.467 11.173 1.00 0.00 H new ATOM 0 HB2 HIS A 45 4.751 6.594 10.492 1.00 0.00 H new ATOM 0 HB3 HIS A 45 5.783 6.355 9.096 1.00 0.00 H new ATOM 0 HD2 HIS A 45 7.686 4.482 9.579 1.00 0.00 H new ATOM 0 HE1 HIS A 45 7.952 4.921 13.790 1.00 0.00 H new ATOM 0 HE2 HIS A 45 8.802 3.621 11.772 1.00 0.00 H new ATOM 663 N PHE A 46 7.095 8.612 7.962 1.00 0.00 N ATOM 664 CA PHE A 46 8.158 8.854 6.993 1.00 0.00 C ATOM 665 C PHE A 46 9.001 10.058 7.401 1.00 0.00 C ATOM 666 O PHE A 46 10.228 10.031 7.305 1.00 0.00 O ATOM 667 CB PHE A 46 7.566 9.080 5.600 1.00 0.00 C ATOM 668 CG PHE A 46 8.441 9.908 4.704 1.00 0.00 C ATOM 669 CD1 PHE A 46 9.695 9.454 4.327 1.00 0.00 C ATOM 670 CD2 PHE A 46 8.011 11.140 4.238 1.00 0.00 C ATOM 671 CE1 PHE A 46 10.504 10.214 3.502 1.00 0.00 C ATOM 672 CE2 PHE A 46 8.814 11.903 3.413 1.00 0.00 C ATOM 673 CZ PHE A 46 10.063 11.440 3.045 1.00 0.00 C ATOM 0 H PHE A 46 6.157 8.594 7.563 1.00 0.00 H new ATOM 0 HA PHE A 46 8.801 7.974 6.968 1.00 0.00 H new ATOM 0 HB2 PHE A 46 7.388 8.114 5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.597 9.569 5.701 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.045 8.496 4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.037 11.508 4.523 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.479 9.849 3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.466 12.861 3.056 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.693 12.036 2.401 1.00 0.00 H new ATOM 683 N ARG A 47 8.334 11.114 7.855 1.00 0.00 N ATOM 684 CA ARG A 47 9.021 12.329 8.276 1.00 0.00 C ATOM 685 C ARG A 47 10.075 12.019 9.335 1.00 0.00 C ATOM 686 O ARG A 47 11.256 12.312 9.154 1.00 0.00 O ATOM 687 CB ARG A 47 8.017 13.345 8.823 1.00 0.00 C ATOM 688 CG ARG A 47 7.300 14.136 7.741 1.00 0.00 C ATOM 689 CD ARG A 47 6.352 15.164 8.339 1.00 0.00 C ATOM 690 NE ARG A 47 7.070 16.253 8.996 1.00 0.00 N ATOM 691 CZ ARG A 47 6.591 17.487 9.108 1.00 0.00 C ATOM 692 NH1 ARG A 47 5.400 17.787 8.608 1.00 0.00 N ATOM 693 NH2 ARG A 47 7.304 18.424 9.720 1.00 0.00 N ATOM 0 H ARG A 47 7.318 11.153 7.941 1.00 0.00 H new ATOM 0 HA ARG A 47 9.520 12.754 7.405 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.277 12.822 9.429 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.538 14.038 9.483 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.033 14.639 7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.742 13.454 7.100 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.716 15.571 7.553 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.695 14.676 9.059 1.00 0.00 H new ATOM 0 HE ARG A 47 7.990 16.055 9.390 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.850 17.070 8.136 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.034 18.735 8.695 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.221 18.197 10.105 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.935 19.371 9.805 1.00 0.00 H new ATOM 707 N ALA A 48 9.639 11.424 10.440 1.00 0.00 N ATOM 708 CA ALA A 48 10.544 11.072 11.527 1.00 0.00 C ATOM 709 C ALA A 48 11.576 10.045 11.072 1.00 0.00 C ATOM 710 O ALA A 48 12.765 10.171 11.366 1.00 0.00 O ATOM 711 CB ALA A 48 9.759 10.542 12.718 1.00 0.00 C ATOM 0 H ALA A 48 8.664 11.175 10.606 1.00 0.00 H new ATOM 0 HA ALA A 48 11.076 11.974 11.829 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.448 10.283 13.522 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.066 11.308 13.067 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.200 9.655 12.420 1.00 0.00 H new ATOM 717 N THR A 49 11.113 9.027 10.353 1.00 0.00 N ATOM 718 CA THR A 49 11.995 7.977 9.859 1.00 0.00 C ATOM 719 C THR A 49 11.765 7.719 8.374 1.00 0.00 C ATOM 720 O THR A 49 10.686 7.303 7.952 1.00 0.00 O ATOM 721 CB THR A 49 11.792 6.662 10.634 1.00 0.00 C ATOM 722 OG1 THR A 49 12.616 5.632 10.077 1.00 0.00 O ATOM 723 CG2 THR A 49 10.334 6.229 10.594 1.00 0.00 C ATOM 0 H THR A 49 10.132 8.908 10.100 1.00 0.00 H new ATOM 0 HA THR A 49 13.017 8.325 10.011 1.00 0.00 H new ATOM 0 HB THR A 49 12.076 6.832 11.673 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.482 4.800 10.577 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.216 5.298 11.148 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.712 7.002 11.046 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.028 6.077 9.559 1.00 0.00 H new ATOM 731 N PRO A 50 12.802 7.971 7.561 1.00 0.00 N ATOM 732 CA PRO A 50 12.737 7.772 6.110 1.00 0.00 C ATOM 733 C PRO A 50 12.671 6.297 5.730 1.00 0.00 C ATOM 734 O PRO A 50 12.665 5.950 4.549 1.00 0.00 O ATOM 735 CB PRO A 50 14.041 8.396 5.608 1.00 0.00 C ATOM 736 CG PRO A 50 14.972 8.314 6.768 1.00 0.00 C ATOM 737 CD PRO A 50 14.117 8.470 7.996 1.00 0.00 C ATOM 0 HA PRO A 50 11.841 8.217 5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.433 7.855 4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 50 13.890 9.429 5.294 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.500 7.360 6.778 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.729 9.097 6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.508 7.894 8.834 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.065 9.509 8.320 1.00 0.00 H new ATOM 745 N ARG A 51 12.620 5.432 6.739 1.00 0.00 N ATOM 746 CA ARG A 51 12.556 3.994 6.509 1.00 0.00 C ATOM 747 C ARG A 51 11.236 3.421 7.019 1.00 0.00 C ATOM 748 O ARG A 51 10.515 4.072 7.775 1.00 0.00 O ATOM 749 CB ARG A 51 13.728 3.293 7.198 1.00 0.00 C ATOM 750 CG ARG A 51 15.085 3.865 6.822 1.00 0.00 C ATOM 751 CD ARG A 51 16.203 2.869 7.091 1.00 0.00 C ATOM 752 NE ARG A 51 17.507 3.522 7.181 1.00 0.00 N ATOM 753 CZ ARG A 51 18.661 2.868 7.115 1.00 0.00 C ATOM 754 NH1 ARG A 51 18.674 1.552 6.958 1.00 0.00 N ATOM 755 NH2 ARG A 51 19.807 3.532 7.206 1.00 0.00 N ATOM 0 H ARG A 51 12.622 5.702 7.722 1.00 0.00 H new ATOM 0 HA ARG A 51 12.618 3.820 5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.599 3.365 8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.707 2.233 6.944 1.00 0.00 H new ATOM 0 HG2 ARG A 51 15.086 4.139 5.767 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.266 4.778 7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.999 2.337 8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.224 2.124 6.295 1.00 0.00 H new ATOM 0 HE ARG A 51 17.532 4.535 7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 51 17.796 1.038 6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 51 19.562 1.053 6.908 1.00 0.00 H new ATOM 0 HH21 ARG A 51 19.801 4.545 7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 51 20.693 3.029 7.155 1.00 0.00 H new ATOM 769 N CYS A 52 10.927 2.199 6.599 1.00 0.00 N ATOM 770 CA CYS A 52 9.694 1.538 7.011 1.00 0.00 C ATOM 771 C CYS A 52 9.628 1.409 8.530 1.00 0.00 C ATOM 772 O CYS A 52 10.615 1.643 9.228 1.00 0.00 O ATOM 773 CB CYS A 52 9.593 0.154 6.366 1.00 0.00 C ATOM 774 SG CYS A 52 7.932 -0.588 6.455 1.00 0.00 S ATOM 0 H CYS A 52 11.513 1.646 5.974 1.00 0.00 H new ATOM 0 HA CYS A 52 8.855 2.149 6.679 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.890 0.230 5.320 1.00 0.00 H new ATOM 0 HB3 CYS A 52 10.304 -0.514 6.852 1.00 0.00 H new ATOM 779 N TYR A 53 8.458 1.034 9.036 1.00 0.00 N ATOM 780 CA TYR A 53 8.262 0.876 10.472 1.00 0.00 C ATOM 781 C TYR A 53 8.339 -0.594 10.874 1.00 0.00 C ATOM 782 O TYR A 53 8.519 -0.919 12.048 1.00 0.00 O ATOM 783 CB TYR A 53 6.911 1.460 10.891 1.00 0.00 C ATOM 784 CG TYR A 53 6.442 0.988 12.249 1.00 0.00 C ATOM 785 CD1 TYR A 53 5.693 -0.174 12.382 1.00 0.00 C ATOM 786 CD2 TYR A 53 6.749 1.705 13.399 1.00 0.00 C ATOM 787 CE1 TYR A 53 5.262 -0.608 13.620 1.00 0.00 C ATOM 788 CE2 TYR A 53 6.324 1.278 14.642 1.00 0.00 C ATOM 789 CZ TYR A 53 5.580 0.121 14.747 1.00 0.00 C ATOM 790 OH TYR A 53 5.154 -0.309 15.983 1.00 0.00 O ATOM 0 H TYR A 53 7.631 0.834 8.473 1.00 0.00 H new ATOM 0 HA TYR A 53 9.059 1.416 10.983 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.981 2.548 10.898 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.162 1.194 10.145 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.443 -0.748 11.502 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.330 2.612 13.320 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.679 -1.513 13.705 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.573 1.846 15.526 1.00 0.00 H new ATOM 0 HH TYR A 53 5.463 0.316 16.671 1.00 0.00 H new ATOM 800 N ILE A 54 8.203 -1.477 9.891 1.00 0.00 N ATOM 801 CA ILE A 54 8.259 -2.912 10.140 1.00 0.00 C ATOM 802 C ILE A 54 9.576 -3.504 9.651 1.00 0.00 C ATOM 803 O ILE A 54 10.329 -4.097 10.424 1.00 0.00 O ATOM 804 CB ILE A 54 7.093 -3.648 9.456 1.00 0.00 C ATOM 805 CG1 ILE A 54 5.774 -3.331 10.165 1.00 0.00 C ATOM 806 CG2 ILE A 54 7.347 -5.148 9.445 1.00 0.00 C ATOM 807 CD1 ILE A 54 4.564 -3.938 9.490 1.00 0.00 C ATOM 0 H ILE A 54 8.053 -1.224 8.914 1.00 0.00 H new ATOM 0 HA ILE A 54 8.181 -3.048 11.219 1.00 0.00 H new ATOM 0 HB ILE A 54 7.021 -3.303 8.424 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.827 -3.693 11.192 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.648 -2.249 10.214 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.514 -5.655 8.958 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.267 -5.357 8.900 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.442 -5.508 10.469 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.665 -3.672 10.047 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.486 -3.557 8.472 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.667 -5.023 9.465 1.00 0.00 H new ATOM 819 N CYS A 55 9.851 -3.337 8.361 1.00 0.00 N ATOM 820 CA CYS A 55 11.078 -3.852 7.767 1.00 0.00 C ATOM 821 C CYS A 55 12.165 -2.781 7.747 1.00 0.00 C ATOM 822 O CYS A 55 13.311 -3.052 7.387 1.00 0.00 O ATOM 823 CB CYS A 55 10.811 -4.350 6.346 1.00 0.00 C ATOM 824 SG CYS A 55 10.349 -3.036 5.172 1.00 0.00 S ATOM 0 H CYS A 55 9.239 -2.848 7.707 1.00 0.00 H new ATOM 0 HA CYS A 55 11.426 -4.685 8.378 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.703 -4.856 5.976 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.013 -5.092 6.376 1.00 0.00 H new ATOM 829 N ASP A 56 11.797 -1.566 8.136 1.00 0.00 N ATOM 830 CA ASP A 56 12.740 -0.454 8.164 1.00 0.00 C ATOM 831 C ASP A 56 13.525 -0.373 6.859 1.00 0.00 C ATOM 832 O ASP A 56 14.745 -0.219 6.867 1.00 0.00 O ATOM 833 CB ASP A 56 13.702 -0.602 9.344 1.00 0.00 C ATOM 834 CG ASP A 56 12.984 -0.604 10.680 1.00 0.00 C ATOM 835 OD1 ASP A 56 12.648 0.493 11.174 1.00 0.00 O ATOM 836 OD2 ASP A 56 12.759 -1.702 11.230 1.00 0.00 O ATOM 0 H ASP A 56 10.852 -1.326 8.436 1.00 0.00 H new ATOM 0 HA ASP A 56 12.171 0.468 8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.265 -1.529 9.236 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.425 0.214 9.324 1.00 0.00 H new ATOM 841 N GLN A 57 12.815 -0.480 5.740 1.00 0.00 N ATOM 842 CA GLN A 57 13.446 -0.422 4.427 1.00 0.00 C ATOM 843 C GLN A 57 13.555 1.019 3.939 1.00 0.00 C ATOM 844 O GLN A 57 12.809 1.902 4.364 1.00 0.00 O ATOM 845 CB GLN A 57 12.654 -1.256 3.419 1.00 0.00 C ATOM 846 CG GLN A 57 13.148 -2.688 3.293 1.00 0.00 C ATOM 847 CD GLN A 57 12.955 -3.251 1.899 1.00 0.00 C ATOM 848 OE1 GLN A 57 12.456 -2.567 1.004 1.00 0.00 O ATOM 849 NE2 GLN A 57 13.349 -4.504 1.706 1.00 0.00 N ATOM 0 H GLN A 57 11.803 -0.607 5.717 1.00 0.00 H new ATOM 0 HA GLN A 57 14.451 -0.833 4.517 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.605 -1.267 3.714 1.00 0.00 H new ATOM 0 HB3 GLN A 57 12.706 -0.775 2.442 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.206 -2.728 3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.619 -3.315 4.011 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.757 -5.034 2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.243 -4.936 0.788 1.00 0.00 H new ATOM 858 N PRO A 58 14.505 1.265 3.026 1.00 0.00 N ATOM 859 CA PRO A 58 14.734 2.598 2.460 1.00 0.00 C ATOM 860 C PRO A 58 13.599 3.040 1.542 1.00 0.00 C ATOM 861 O PRO A 58 13.636 2.804 0.334 1.00 0.00 O ATOM 862 CB PRO A 58 16.031 2.429 1.665 1.00 0.00 C ATOM 863 CG PRO A 58 16.079 0.979 1.323 1.00 0.00 C ATOM 864 CD PRO A 58 15.431 0.261 2.474 1.00 0.00 C ATOM 0 HA PRO A 58 14.790 3.365 3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.029 3.048 0.768 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.898 2.726 2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.550 0.780 0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.107 0.645 1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.903 -0.633 2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.166 -0.057 3.214 1.00 0.00 H new ATOM 872 N THR A 59 12.591 3.685 2.121 1.00 0.00 N ATOM 873 CA THR A 59 11.446 4.159 1.355 1.00 0.00 C ATOM 874 C THR A 59 11.809 5.387 0.527 1.00 0.00 C ATOM 875 O THR A 59 11.415 5.504 -0.632 1.00 0.00 O ATOM 876 CB THR A 59 10.260 4.506 2.275 1.00 0.00 C ATOM 877 OG1 THR A 59 10.617 5.582 3.150 1.00 0.00 O ATOM 878 CG2 THR A 59 9.839 3.297 3.096 1.00 0.00 C ATOM 0 H THR A 59 12.545 3.891 3.119 1.00 0.00 H new ATOM 0 HA THR A 59 11.154 3.348 0.688 1.00 0.00 H new ATOM 0 HB THR A 59 9.421 4.810 1.649 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.497 5.405 3.544 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.000 3.567 3.738 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.539 2.490 2.428 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.675 2.966 3.712 1.00 0.00 H new ATOM 886 N GLY A 60 12.563 6.300 1.131 1.00 0.00 N ATOM 887 CA GLY A 60 12.967 7.507 0.434 1.00 0.00 C ATOM 888 C GLY A 60 11.783 8.305 -0.078 1.00 0.00 C ATOM 889 O GLY A 60 11.858 8.931 -1.134 1.00 0.00 O ATOM 0 H GLY A 60 12.901 6.225 2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.558 8.130 1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.611 7.241 -0.404 1.00 0.00 H new ATOM 893 N GLY A 61 10.686 8.280 0.672 1.00 0.00 N ATOM 894 CA GLY A 61 9.497 9.008 0.271 1.00 0.00 C ATOM 895 C GLY A 61 8.752 8.326 -0.859 1.00 0.00 C ATOM 896 O GLY A 61 8.193 8.989 -1.732 1.00 0.00 O ATOM 0 H GLY A 61 10.600 7.769 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.833 9.113 1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.778 10.014 -0.039 1.00 0.00 H new ATOM 900 N ILE A 62 8.747 6.997 -0.845 1.00 0.00 N ATOM 901 CA ILE A 62 8.066 6.225 -1.877 1.00 0.00 C ATOM 902 C ILE A 62 6.836 5.521 -1.315 1.00 0.00 C ATOM 903 O ILE A 62 6.897 4.888 -0.260 1.00 0.00 O ATOM 904 CB ILE A 62 9.003 5.176 -2.504 1.00 0.00 C ATOM 905 CG1 ILE A 62 10.190 5.861 -3.184 1.00 0.00 C ATOM 906 CG2 ILE A 62 8.241 4.314 -3.500 1.00 0.00 C ATOM 907 CD1 ILE A 62 11.286 4.904 -3.597 1.00 0.00 C ATOM 0 H ILE A 62 9.207 6.433 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 62 7.757 6.931 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 62 9.385 4.532 -1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.835 6.395 -4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.606 6.606 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.916 3.577 -3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.426 3.802 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.834 4.945 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 62 12.094 5.460 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 62 11.669 4.388 -2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.886 4.174 -4.300 1.00 0.00 H new ATOM 919 N PHE A 63 5.720 5.633 -2.027 1.00 0.00 N ATOM 920 CA PHE A 63 4.474 5.006 -1.601 1.00 0.00 C ATOM 921 C PHE A 63 3.542 4.785 -2.788 1.00 0.00 C ATOM 922 O PHE A 63 3.164 5.731 -3.479 1.00 0.00 O ATOM 923 CB PHE A 63 3.779 5.869 -0.546 1.00 0.00 C ATOM 924 CG PHE A 63 4.620 6.117 0.674 1.00 0.00 C ATOM 925 CD1 PHE A 63 4.750 5.144 1.652 1.00 0.00 C ATOM 926 CD2 PHE A 63 5.281 7.323 0.842 1.00 0.00 C ATOM 927 CE1 PHE A 63 5.522 5.371 2.776 1.00 0.00 C ATOM 928 CE2 PHE A 63 6.055 7.555 1.964 1.00 0.00 C ATOM 929 CZ PHE A 63 6.176 6.577 2.931 1.00 0.00 C ATOM 0 H PHE A 63 5.653 6.152 -2.902 1.00 0.00 H new ATOM 0 HA PHE A 63 4.715 4.036 -1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.508 6.826 -0.992 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.851 5.384 -0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.243 4.198 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.191 8.091 0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.613 4.606 3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.564 8.500 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.781 6.755 3.807 1.00 0.00 H new ATOM 939 N ASN A 64 3.175 3.529 -3.020 1.00 0.00 N ATOM 940 CA ASN A 64 2.288 3.183 -4.124 1.00 0.00 C ATOM 941 C ASN A 64 0.877 2.896 -3.619 1.00 0.00 C ATOM 942 O ASN A 64 0.678 2.364 -2.527 1.00 0.00 O ATOM 943 CB ASN A 64 2.828 1.966 -4.878 1.00 0.00 C ATOM 944 CG ASN A 64 4.299 2.105 -5.221 1.00 0.00 C ATOM 945 OD1 ASN A 64 4.655 2.617 -6.282 1.00 0.00 O ATOM 946 ND2 ASN A 64 5.162 1.648 -4.320 1.00 0.00 N ATOM 0 H ASN A 64 3.478 2.734 -2.458 1.00 0.00 H new ATOM 0 HA ASN A 64 2.246 4.034 -4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.682 1.072 -4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.255 1.826 -5.795 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.165 1.714 -4.495 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.822 1.231 -3.454 1.00 0.00 H new ATOM 953 N PRO A 65 -0.127 3.257 -4.432 1.00 0.00 N ATOM 954 CA PRO A 65 -1.537 3.048 -4.090 1.00 0.00 C ATOM 955 C PRO A 65 -1.924 1.573 -4.105 1.00 0.00 C ATOM 956 O PRO A 65 -1.852 0.913 -5.142 1.00 0.00 O ATOM 957 CB PRO A 65 -2.285 3.809 -5.188 1.00 0.00 C ATOM 958 CG PRO A 65 -1.343 3.832 -6.342 1.00 0.00 C ATOM 959 CD PRO A 65 0.037 3.897 -5.749 1.00 0.00 C ATOM 0 HA PRO A 65 -1.768 3.392 -3.082 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.219 3.311 -5.449 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.541 4.818 -4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.461 2.942 -6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.533 4.692 -6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.764 3.368 -6.365 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.386 4.925 -5.655 1.00 0.00 H new ATOM 967 N ALA A 66 -2.336 1.063 -2.950 1.00 0.00 N ATOM 968 CA ALA A 66 -2.738 -0.334 -2.831 1.00 0.00 C ATOM 969 C ALA A 66 -4.249 -0.484 -2.964 1.00 0.00 C ATOM 970 O ALA A 66 -4.875 -1.246 -2.228 1.00 0.00 O ATOM 971 CB ALA A 66 -2.263 -0.909 -1.505 1.00 0.00 C ATOM 0 H ALA A 66 -2.401 1.596 -2.083 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.271 -0.891 -3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.570 -1.952 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.176 -0.846 -1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.702 -0.342 -0.684 1.00 0.00 H new ATOM 977 N LYS A 67 -4.831 0.250 -3.907 1.00 0.00 N ATOM 978 CA LYS A 67 -6.270 0.199 -4.138 1.00 0.00 C ATOM 979 C LYS A 67 -6.745 -1.242 -4.299 1.00 0.00 C ATOM 980 O LYS A 67 -7.776 -1.630 -3.751 1.00 0.00 O ATOM 981 CB LYS A 67 -6.637 1.009 -5.383 1.00 0.00 C ATOM 982 CG LYS A 67 -6.824 2.492 -5.110 1.00 0.00 C ATOM 983 CD LYS A 67 -8.236 2.799 -4.642 1.00 0.00 C ATOM 984 CE LYS A 67 -9.220 2.799 -5.801 1.00 0.00 C ATOM 985 NZ LYS A 67 -10.523 3.415 -5.424 1.00 0.00 N ATOM 0 H LYS A 67 -4.328 0.888 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.767 0.633 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.856 0.882 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.556 0.608 -5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.110 2.816 -4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.608 3.060 -6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.544 2.060 -3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.254 3.771 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.791 3.344 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.386 1.775 -6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.166 3.396 -6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.946 2.880 -4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.369 4.400 -5.128 1.00 0.00 H new ATOM 999 N GLU A 68 -5.984 -2.031 -5.051 1.00 0.00 N ATOM 1000 CA GLU A 68 -6.327 -3.429 -5.282 1.00 0.00 C ATOM 1001 C GLU A 68 -6.505 -4.171 -3.961 1.00 0.00 C ATOM 1002 O GLU A 68 -7.580 -4.698 -3.671 1.00 0.00 O ATOM 1003 CB GLU A 68 -5.245 -4.111 -6.122 1.00 0.00 C ATOM 1004 CG GLU A 68 -5.357 -3.823 -7.609 1.00 0.00 C ATOM 1005 CD GLU A 68 -5.268 -2.343 -7.925 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -4.155 -1.784 -7.835 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -6.310 -1.744 -8.263 1.00 0.00 O ATOM 0 H GLU A 68 -5.126 -1.726 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.271 -3.460 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.266 -3.786 -5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.299 -5.188 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.564 -4.352 -8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.304 -4.214 -7.981 1.00 0.00 H new ATOM 1014 N LEU A 69 -5.444 -4.208 -3.163 1.00 0.00 N ATOM 1015 CA LEU A 69 -5.481 -4.886 -1.871 1.00 0.00 C ATOM 1016 C LEU A 69 -6.829 -4.683 -1.188 1.00 0.00 C ATOM 1017 O LEU A 69 -7.502 -5.647 -0.822 1.00 0.00 O ATOM 1018 CB LEU A 69 -4.357 -4.371 -0.970 1.00 0.00 C ATOM 1019 CG LEU A 69 -4.428 -4.791 0.498 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -3.930 -6.218 0.669 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -3.622 -3.836 1.366 1.00 0.00 C ATOM 0 H LEU A 69 -4.547 -3.777 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.339 -5.953 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.406 -4.712 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.352 -3.282 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.469 -4.750 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.988 -6.500 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.549 -6.893 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.896 -6.285 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.684 -4.151 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.580 -3.845 1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.024 -2.828 1.267 1.00 0.00 H new ATOM 1033 N MET A 70 -7.219 -3.423 -1.023 1.00 0.00 N ATOM 1034 CA MET A 70 -8.490 -3.095 -0.387 1.00 0.00 C ATOM 1035 C MET A 70 -9.657 -3.702 -1.158 1.00 0.00 C ATOM 1036 O MET A 70 -10.534 -4.339 -0.575 1.00 0.00 O ATOM 1037 CB MET A 70 -8.660 -1.577 -0.293 1.00 0.00 C ATOM 1038 CG MET A 70 -7.692 -0.916 0.674 1.00 0.00 C ATOM 1039 SD MET A 70 -7.835 -1.562 2.351 1.00 0.00 S ATOM 1040 CE MET A 70 -6.264 -2.405 2.524 1.00 0.00 C ATOM 0 H MET A 70 -6.674 -2.614 -1.320 1.00 0.00 H new ATOM 0 HA MET A 70 -8.484 -3.516 0.618 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.525 -1.142 -1.283 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.681 -1.352 0.017 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.672 -1.063 0.318 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.874 0.159 0.686 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.058 -2.578 3.580 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.304 -3.360 2.001 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.472 -1.790 2.096 1.00 0.00 H new ATOM 1050 N ALA A 71 -9.662 -3.500 -2.472 1.00 0.00 N ATOM 1051 CA ALA A 71 -10.720 -4.029 -3.322 1.00 0.00 C ATOM 1052 C ALA A 71 -11.063 -5.466 -2.943 1.00 0.00 C ATOM 1053 O ALA A 71 -12.231 -5.855 -2.932 1.00 0.00 O ATOM 1054 CB ALA A 71 -10.311 -3.951 -4.786 1.00 0.00 C ATOM 0 H ALA A 71 -8.944 -2.973 -2.970 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.611 -3.419 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.111 -4.350 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.124 -2.912 -5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.404 -4.535 -4.942 1.00 0.00 H new ATOM 1060 N LYS A 72 -10.037 -6.252 -2.633 1.00 0.00 N ATOM 1061 CA LYS A 72 -10.228 -7.646 -2.253 1.00 0.00 C ATOM 1062 C LYS A 72 -10.984 -7.751 -0.932 1.00 0.00 C ATOM 1063 O LYS A 72 -11.955 -8.500 -0.819 1.00 0.00 O ATOM 1064 CB LYS A 72 -8.876 -8.354 -2.136 1.00 0.00 C ATOM 1065 CG LYS A 72 -8.131 -8.464 -3.456 1.00 0.00 C ATOM 1066 CD LYS A 72 -6.693 -8.908 -3.249 1.00 0.00 C ATOM 1067 CE LYS A 72 -6.045 -9.328 -4.560 1.00 0.00 C ATOM 1068 NZ LYS A 72 -5.953 -8.195 -5.521 1.00 0.00 N ATOM 0 H LYS A 72 -9.064 -5.946 -2.638 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.819 -8.131 -3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.254 -7.816 -1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.033 -9.354 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.642 -9.175 -4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.146 -7.500 -3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.121 -8.095 -2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.666 -9.740 -2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.047 -9.719 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.622 -10.138 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.460 -8.509 -6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.910 -7.871 -5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.424 -7.412 -5.085 1.00 0.00 H new ATOM 1082 N LEU A 73 -10.533 -6.995 0.064 1.00 0.00 N ATOM 1083 CA LEU A 73 -11.169 -7.002 1.377 1.00 0.00 C ATOM 1084 C LEU A 73 -12.628 -6.570 1.278 1.00 0.00 C ATOM 1085 O LEU A 73 -13.514 -7.209 1.846 1.00 0.00 O ATOM 1086 CB LEU A 73 -10.415 -6.077 2.334 1.00 0.00 C ATOM 1087 CG LEU A 73 -8.948 -6.426 2.589 1.00 0.00 C ATOM 1088 CD1 LEU A 73 -8.141 -5.168 2.869 1.00 0.00 C ATOM 1089 CD2 LEU A 73 -8.827 -7.409 3.745 1.00 0.00 C ATOM 0 H LEU A 73 -9.730 -6.370 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.137 -8.020 1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.463 -5.062 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.938 -6.072 3.290 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.545 -6.899 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.100 -5.436 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.201 -4.499 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.543 -4.666 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.776 -7.646 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.247 -6.963 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.371 -8.322 3.505 1.00 0.00 H new ATOM 1101 N GLN A 74 -12.871 -5.484 0.552 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.223 -4.968 0.377 1.00 0.00 C ATOM 1103 C GLN A 74 -14.968 -5.747 -0.703 1.00 0.00 C ATOM 1104 O GLN A 74 -14.372 -6.192 -1.684 1.00 0.00 O ATOM 1105 CB GLN A 74 -14.183 -3.483 0.015 1.00 0.00 C ATOM 1106 CG GLN A 74 -13.952 -2.571 1.210 1.00 0.00 C ATOM 1107 CD GLN A 74 -13.803 -1.116 0.814 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -12.717 -0.543 0.905 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -14.898 -0.508 0.370 1.00 0.00 N ATOM 0 H GLN A 74 -12.149 -4.944 0.075 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.755 -5.090 1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.392 -3.317 -0.716 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.123 -3.209 -0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.786 -2.671 1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.055 -2.893 1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.778 -1.021 0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -14.859 0.472 0.088 1.00 0.00 H new ATOM 1118 N LYS A 75 -16.273 -5.908 -0.515 1.00 0.00 N ATOM 1119 CA LYS A 75 -17.101 -6.631 -1.473 1.00 0.00 C ATOM 1120 C LYS A 75 -17.619 -5.696 -2.560 1.00 0.00 C ATOM 1121 O LYS A 75 -17.800 -4.500 -2.330 1.00 0.00 O ATOM 1122 CB LYS A 75 -18.277 -7.301 -0.758 1.00 0.00 C ATOM 1123 CG LYS A 75 -17.854 -8.265 0.337 1.00 0.00 C ATOM 1124 CD LYS A 75 -17.604 -7.542 1.650 1.00 0.00 C ATOM 1125 CE LYS A 75 -17.474 -8.519 2.808 1.00 0.00 C ATOM 1126 NZ LYS A 75 -17.021 -7.844 4.055 1.00 0.00 N ATOM 0 H LYS A 75 -16.781 -5.547 0.293 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.484 -7.398 -1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.915 -6.530 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.879 -7.838 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.628 -9.020 0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.949 -8.790 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.695 -6.946 1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -18.422 -6.850 1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.435 -9.002 2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.766 -9.305 2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.945 -8.544 4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.092 -7.404 3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.709 -7.111 4.323 1.00 0.00 H new ATOM 1140 N SER A 76 -17.857 -6.248 -3.746 1.00 0.00 N ATOM 1141 CA SER A 76 -18.353 -5.462 -4.870 1.00 0.00 C ATOM 1142 C SER A 76 -19.839 -5.159 -4.707 1.00 0.00 C ATOM 1143 O SER A 76 -20.691 -5.866 -5.245 1.00 0.00 O ATOM 1144 CB SER A 76 -18.113 -6.206 -6.185 1.00 0.00 C ATOM 1145 OG SER A 76 -18.421 -5.385 -7.298 1.00 0.00 O ATOM 0 H SER A 76 -17.714 -7.236 -3.953 1.00 0.00 H new ATOM 0 HA SER A 76 -17.808 -4.518 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 76 -17.072 -6.525 -6.241 1.00 0.00 H new ATOM 0 HB3 SER A 76 -18.725 -7.108 -6.214 1.00 0.00 H new ATOM 0 HG SER A 76 -18.258 -5.882 -8.126 1.00 0.00 H new ATOM 1151 N GLY A 77 -20.144 -4.102 -3.961 1.00 0.00 N ATOM 1152 CA GLY A 77 -21.527 -3.723 -3.740 1.00 0.00 C ATOM 1153 C GLY A 77 -21.713 -2.221 -3.670 1.00 0.00 C ATOM 1154 O GLY A 77 -20.851 -1.489 -3.183 1.00 0.00 O ATOM 0 H GLY A 77 -19.457 -3.501 -3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -22.143 -4.125 -4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -21.880 -4.173 -2.812 1.00 0.00 H new ATOM 1158 N PRO A 78 -22.861 -1.739 -4.168 1.00 0.00 N ATOM 1159 CA PRO A 78 -23.184 -0.309 -4.173 1.00 0.00 C ATOM 1160 C PRO A 78 -23.451 0.230 -2.772 1.00 0.00 C ATOM 1161 O PRO A 78 -24.586 0.211 -2.295 1.00 0.00 O ATOM 1162 CB PRO A 78 -24.453 -0.234 -5.026 1.00 0.00 C ATOM 1163 CG PRO A 78 -25.074 -1.582 -4.899 1.00 0.00 C ATOM 1164 CD PRO A 78 -23.934 -2.553 -4.764 1.00 0.00 C ATOM 0 HA PRO A 78 -22.360 0.293 -4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -25.125 0.547 -4.669 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -24.219 -0.002 -6.065 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -25.731 -1.629 -4.030 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -25.683 -1.815 -5.772 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -24.199 -3.397 -4.127 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -23.638 -2.962 -5.730 1.00 0.00 H new ATOM 1172 N SER A 79 -22.399 0.710 -2.117 1.00 0.00 N ATOM 1173 CA SER A 79 -22.520 1.252 -0.768 1.00 0.00 C ATOM 1174 C SER A 79 -23.527 2.397 -0.731 1.00 0.00 C ATOM 1175 O SER A 79 -23.171 3.558 -0.932 1.00 0.00 O ATOM 1176 CB SER A 79 -21.159 1.737 -0.267 1.00 0.00 C ATOM 1177 OG SER A 79 -20.246 0.660 -0.146 1.00 0.00 O ATOM 0 H SER A 79 -21.453 0.735 -2.498 1.00 0.00 H new ATOM 0 HA SER A 79 -22.877 0.457 -0.114 1.00 0.00 H new ATOM 0 HB2 SER A 79 -20.759 2.481 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 79 -21.277 2.228 0.699 1.00 0.00 H new ATOM 0 HG SER A 79 -19.383 0.997 0.174 1.00 0.00 H new ATOM 1183 N SER A 80 -24.787 2.062 -0.472 1.00 0.00 N ATOM 1184 CA SER A 80 -25.847 3.061 -0.412 1.00 0.00 C ATOM 1185 C SER A 80 -27.051 2.529 0.360 1.00 0.00 C ATOM 1186 O SER A 80 -27.618 1.494 0.013 1.00 0.00 O ATOM 1187 CB SER A 80 -26.272 3.469 -1.824 1.00 0.00 C ATOM 1188 OG SER A 80 -25.351 4.386 -2.389 1.00 0.00 O ATOM 0 H SER A 80 -25.098 1.106 -0.300 1.00 0.00 H new ATOM 0 HA SER A 80 -25.460 3.936 0.110 1.00 0.00 H new ATOM 0 HB2 SER A 80 -26.343 2.584 -2.456 1.00 0.00 H new ATOM 0 HB3 SER A 80 -27.265 3.918 -1.793 1.00 0.00 H new ATOM 0 HG SER A 80 -24.480 4.286 -1.952 1.00 0.00 H new ATOM 1194 N GLY A 81 -27.436 3.247 1.411 1.00 0.00 N ATOM 1195 CA GLY A 81 -28.570 2.834 2.217 1.00 0.00 C ATOM 1196 C GLY A 81 -28.149 2.229 3.542 1.00 0.00 C ATOM 1197 O GLY A 81 -27.352 1.292 3.546 1.00 0.00 O ATOM 0 H GLY A 81 -26.983 4.107 1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -29.213 3.694 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -29.162 2.107 1.661 1.00 0.00 H new TER 1201 GLY A 81 HETATM 1202 ZN ZN A 201 -1.970 3.499 10.927 1.00 0.00 ZN HETATM 1203 ZN ZN A 401 8.101 -2.478 5.124 1.00 0.00 ZN