USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 35 HIS HD1 : A 35 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 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= -2.41! C(o=-2.4!,f=-3.1!) USER MOD Single : A 26 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.0044) USER MOD Single : A 27 ASN : amide:sc= -0.0938 K(o=-0.094,f=-0.66) USER MOD Single : A 31 THR OG1 : rot 146:sc= 0.891 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-5.5!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 173:sc= -5.42 (180deg=-5.84!) USER MOD Single : A 72 LYS NZ :NH3+ -151:sc= -0.418 (180deg=-1.55!) USER MOD Single : A 74 GLN : amide:sc= -0.606 K(o=-0.61,f=-3.1!) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.12) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.319 -40.883 14.076 1.00 0.00 N ATOM 2 CA GLY A 1 -25.627 -40.638 12.825 1.00 0.00 C ATOM 3 C GLY A 1 -25.192 -39.193 12.675 1.00 0.00 C ATOM 4 O GLY A 1 -25.985 -38.337 12.284 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.595 -41.884 14.130 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.689 -40.654 14.872 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.169 -40.286 14.125 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.752 -41.285 12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.280 -40.906 11.994 1.00 0.00 H new ATOM 8 N SER A 2 -23.930 -38.921 12.989 1.00 0.00 N ATOM 9 CA SER A 2 -23.393 -37.568 12.893 1.00 0.00 C ATOM 10 C SER A 2 -21.950 -37.590 12.398 1.00 0.00 C ATOM 11 O SER A 2 -21.174 -38.478 12.752 1.00 0.00 O ATOM 12 CB SER A 2 -23.467 -36.870 14.252 1.00 0.00 C ATOM 13 OG SER A 2 -24.698 -36.185 14.408 1.00 0.00 O ATOM 0 H SER A 2 -23.260 -39.619 13.312 1.00 0.00 H new ATOM 0 HA SER A 2 -23.997 -37.014 12.174 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.353 -37.605 15.049 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.641 -36.166 14.348 1.00 0.00 H new ATOM 0 HG SER A 2 -24.721 -35.749 15.285 1.00 0.00 H new ATOM 19 N SER A 3 -21.598 -36.607 11.575 1.00 0.00 N ATOM 20 CA SER A 3 -20.250 -36.515 11.027 1.00 0.00 C ATOM 21 C SER A 3 -20.007 -35.140 10.412 1.00 0.00 C ATOM 22 O SER A 3 -20.930 -34.340 10.268 1.00 0.00 O ATOM 23 CB SER A 3 -20.029 -37.603 9.975 1.00 0.00 C ATOM 24 OG SER A 3 -21.013 -37.536 8.957 1.00 0.00 O ATOM 0 H SER A 3 -22.228 -35.863 11.273 1.00 0.00 H new ATOM 0 HA SER A 3 -19.542 -36.660 11.843 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.038 -37.492 9.535 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.059 -38.584 10.450 1.00 0.00 H new ATOM 0 HG SER A 3 -20.848 -38.241 8.296 1.00 0.00 H new ATOM 30 N GLY A 4 -18.755 -34.873 10.051 1.00 0.00 N ATOM 31 CA GLY A 4 -18.412 -33.594 9.456 1.00 0.00 C ATOM 32 C GLY A 4 -17.009 -33.581 8.883 1.00 0.00 C ATOM 33 O GLY A 4 -16.139 -34.326 9.334 1.00 0.00 O ATOM 0 H GLY A 4 -17.973 -35.519 10.160 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.126 -33.361 8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.501 -32.811 10.209 1.00 0.00 H new ATOM 37 N SER A 5 -16.788 -32.732 7.884 1.00 0.00 N ATOM 38 CA SER A 5 -15.482 -32.628 7.244 1.00 0.00 C ATOM 39 C SER A 5 -15.429 -31.424 6.308 1.00 0.00 C ATOM 40 O SER A 5 -16.394 -31.129 5.604 1.00 0.00 O ATOM 41 CB SER A 5 -15.169 -33.907 6.465 1.00 0.00 C ATOM 42 OG SER A 5 -15.850 -33.927 5.222 1.00 0.00 O ATOM 0 H SER A 5 -17.497 -32.106 7.501 1.00 0.00 H new ATOM 0 HA SER A 5 -14.733 -32.493 8.024 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.095 -33.980 6.296 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.458 -34.776 7.056 1.00 0.00 H new ATOM 0 HG SER A 5 -15.632 -34.754 4.743 1.00 0.00 H new ATOM 48 N SER A 6 -14.294 -30.732 6.308 1.00 0.00 N ATOM 49 CA SER A 6 -14.116 -29.557 5.463 1.00 0.00 C ATOM 50 C SER A 6 -13.156 -29.854 4.315 1.00 0.00 C ATOM 51 O SER A 6 -12.478 -30.881 4.308 1.00 0.00 O ATOM 52 CB SER A 6 -13.590 -28.383 6.291 1.00 0.00 C ATOM 53 OG SER A 6 -12.217 -28.549 6.597 1.00 0.00 O ATOM 0 H SER A 6 -13.485 -30.965 6.883 1.00 0.00 H new ATOM 0 HA SER A 6 -15.086 -29.291 5.043 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.733 -27.453 5.741 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.164 -28.299 7.214 1.00 0.00 H new ATOM 0 HG SER A 6 -11.905 -27.785 7.125 1.00 0.00 H new ATOM 59 N GLY A 7 -13.106 -28.947 3.344 1.00 0.00 N ATOM 60 CA GLY A 7 -12.227 -29.130 2.203 1.00 0.00 C ATOM 61 C GLY A 7 -11.652 -27.821 1.700 1.00 0.00 C ATOM 62 O GLY A 7 -12.286 -26.773 1.809 1.00 0.00 O ATOM 0 H GLY A 7 -13.658 -28.089 3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.412 -29.799 2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.778 -29.615 1.397 1.00 0.00 H new ATOM 66 N GLY A 8 -10.444 -27.881 1.147 1.00 0.00 N ATOM 67 CA GLY A 8 -9.802 -26.685 0.635 1.00 0.00 C ATOM 68 C GLY A 8 -8.937 -26.000 1.675 1.00 0.00 C ATOM 69 O GLY A 8 -9.384 -25.745 2.794 1.00 0.00 O ATOM 0 H GLY A 8 -9.899 -28.737 1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.189 -26.946 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.564 -25.989 0.285 1.00 0.00 H new ATOM 73 N SER A 9 -7.694 -25.704 1.307 1.00 0.00 N ATOM 74 CA SER A 9 -6.763 -25.050 2.219 1.00 0.00 C ATOM 75 C SER A 9 -6.096 -23.853 1.548 1.00 0.00 C ATOM 76 O SER A 9 -5.179 -24.011 0.743 1.00 0.00 O ATOM 77 CB SER A 9 -5.698 -26.042 2.692 1.00 0.00 C ATOM 78 OG SER A 9 -6.136 -26.753 3.837 1.00 0.00 O ATOM 0 H SER A 9 -7.309 -25.907 0.384 1.00 0.00 H new ATOM 0 HA SER A 9 -7.327 -24.694 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.468 -26.744 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.776 -25.508 2.922 1.00 0.00 H new ATOM 0 HG SER A 9 -5.439 -27.381 4.118 1.00 0.00 H new ATOM 84 N GLU A 10 -6.565 -22.656 1.886 1.00 0.00 N ATOM 85 CA GLU A 10 -6.015 -21.432 1.316 1.00 0.00 C ATOM 86 C GLU A 10 -4.972 -20.819 2.246 1.00 0.00 C ATOM 87 O GLU A 10 -4.743 -21.314 3.349 1.00 0.00 O ATOM 88 CB GLU A 10 -7.132 -20.421 1.049 1.00 0.00 C ATOM 89 CG GLU A 10 -8.021 -20.792 -0.126 1.00 0.00 C ATOM 90 CD GLU A 10 -7.416 -20.404 -1.461 1.00 0.00 C ATOM 91 OE1 GLU A 10 -6.707 -19.378 -1.514 1.00 0.00 O ATOM 92 OE2 GLU A 10 -7.652 -21.126 -2.453 1.00 0.00 O ATOM 0 H GLU A 10 -7.324 -22.508 2.551 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.531 -21.687 0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.747 -20.327 1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.688 -19.443 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.204 -21.866 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.988 -20.302 -0.014 1.00 0.00 H new ATOM 99 N GLU A 11 -4.342 -19.741 1.790 1.00 0.00 N ATOM 100 CA GLU A 11 -3.322 -19.062 2.580 1.00 0.00 C ATOM 101 C GLU A 11 -3.396 -17.551 2.382 1.00 0.00 C ATOM 102 O GLU A 11 -3.088 -17.041 1.305 1.00 0.00 O ATOM 103 CB GLU A 11 -1.929 -19.570 2.201 1.00 0.00 C ATOM 104 CG GLU A 11 -1.682 -21.017 2.591 1.00 0.00 C ATOM 105 CD GLU A 11 -0.286 -21.488 2.232 1.00 0.00 C ATOM 106 OE1 GLU A 11 0.137 -21.265 1.078 1.00 0.00 O ATOM 107 OE2 GLU A 11 0.384 -22.079 3.105 1.00 0.00 O ATOM 0 H GLU A 11 -4.520 -19.320 0.878 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.507 -19.282 3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.793 -19.464 1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.179 -18.940 2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.835 -21.131 3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.415 -21.653 2.095 1.00 0.00 H new ATOM 114 N GLU A 12 -3.807 -16.842 3.428 1.00 0.00 N ATOM 115 CA GLU A 12 -3.923 -15.389 3.368 1.00 0.00 C ATOM 116 C GLU A 12 -3.221 -14.738 4.556 1.00 0.00 C ATOM 117 O GLU A 12 -3.805 -14.590 5.630 1.00 0.00 O ATOM 118 CB GLU A 12 -5.395 -14.974 3.340 1.00 0.00 C ATOM 119 CG GLU A 12 -5.609 -13.480 3.517 1.00 0.00 C ATOM 120 CD GLU A 12 -5.771 -13.081 4.971 1.00 0.00 C ATOM 121 OE1 GLU A 12 -6.753 -13.523 5.602 1.00 0.00 O ATOM 122 OE2 GLU A 12 -4.914 -12.327 5.478 1.00 0.00 O ATOM 0 H GLU A 12 -4.065 -17.249 4.327 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.440 -15.048 2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.834 -15.286 2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.929 -15.505 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.763 -12.943 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.495 -13.175 2.960 1.00 0.00 H new ATOM 129 N GLU A 13 -1.965 -14.351 4.355 1.00 0.00 N ATOM 130 CA GLU A 13 -1.184 -13.716 5.410 1.00 0.00 C ATOM 131 C GLU A 13 -1.428 -12.210 5.438 1.00 0.00 C ATOM 132 O GLU A 13 -1.322 -11.573 6.486 1.00 0.00 O ATOM 133 CB GLU A 13 0.307 -13.999 5.211 1.00 0.00 C ATOM 134 CG GLU A 13 0.678 -15.462 5.386 1.00 0.00 C ATOM 135 CD GLU A 13 0.039 -16.083 6.612 1.00 0.00 C ATOM 136 OE1 GLU A 13 0.274 -15.571 7.727 1.00 0.00 O ATOM 137 OE2 GLU A 13 -0.696 -17.081 6.458 1.00 0.00 O ATOM 0 H GLU A 13 -1.467 -14.466 3.472 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.502 -14.135 6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.599 -13.676 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.879 -13.401 5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.372 -16.019 4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.762 -15.552 5.461 1.00 0.00 H new ATOM 144 N ILE A 14 -1.755 -11.649 4.279 1.00 0.00 N ATOM 145 CA ILE A 14 -2.015 -10.219 4.170 1.00 0.00 C ATOM 146 C ILE A 14 -2.736 -9.695 5.408 1.00 0.00 C ATOM 147 O ILE A 14 -3.675 -10.309 5.916 1.00 0.00 O ATOM 148 CB ILE A 14 -2.858 -9.893 2.923 1.00 0.00 C ATOM 149 CG1 ILE A 14 -2.108 -10.303 1.653 1.00 0.00 C ATOM 150 CG2 ILE A 14 -3.200 -8.411 2.887 1.00 0.00 C ATOM 151 CD1 ILE A 14 -2.992 -10.378 0.428 1.00 0.00 C ATOM 0 H ILE A 14 -1.846 -12.163 3.402 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.046 -9.728 4.082 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.788 -10.459 2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.305 -9.590 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.641 -11.274 1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.796 -8.197 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.769 -8.147 3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.281 -7.826 2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.395 -10.674 -0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.780 -11.113 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.439 -9.402 0.242 1.00 0.00 H new ATOM 163 N PRO A 15 -2.290 -8.532 5.905 1.00 0.00 N ATOM 164 CA PRO A 15 -2.880 -7.899 7.088 1.00 0.00 C ATOM 165 C PRO A 15 -4.280 -7.359 6.819 1.00 0.00 C ATOM 166 O PRO A 15 -4.648 -7.102 5.672 1.00 0.00 O ATOM 167 CB PRO A 15 -1.914 -6.751 7.395 1.00 0.00 C ATOM 168 CG PRO A 15 -1.270 -6.439 6.089 1.00 0.00 C ATOM 169 CD PRO A 15 -1.175 -7.746 5.351 1.00 0.00 C ATOM 0 HA PRO A 15 -3.001 -8.604 7.910 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.442 -5.885 7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.175 -7.044 8.141 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.860 -5.715 5.526 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.283 -6.001 6.236 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.276 -7.608 4.275 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.216 -8.235 5.521 1.00 0.00 H new ATOM 177 N PHE A 16 -5.058 -7.188 7.882 1.00 0.00 N ATOM 178 CA PHE A 16 -6.419 -6.678 7.760 1.00 0.00 C ATOM 179 C PHE A 16 -6.500 -5.227 8.224 1.00 0.00 C ATOM 180 O PHE A 16 -7.252 -4.427 7.667 1.00 0.00 O ATOM 181 CB PHE A 16 -7.385 -7.541 8.576 1.00 0.00 C ATOM 182 CG PHE A 16 -6.809 -8.016 9.879 1.00 0.00 C ATOM 183 CD1 PHE A 16 -6.074 -9.189 9.940 1.00 0.00 C ATOM 184 CD2 PHE A 16 -7.004 -7.290 11.043 1.00 0.00 C ATOM 185 CE1 PHE A 16 -5.542 -9.629 11.138 1.00 0.00 C ATOM 186 CE2 PHE A 16 -6.475 -7.725 12.244 1.00 0.00 C ATOM 187 CZ PHE A 16 -5.744 -8.896 12.291 1.00 0.00 C ATOM 0 H PHE A 16 -4.770 -7.395 8.838 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.703 -6.721 6.709 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.291 -6.969 8.775 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.679 -8.406 7.981 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.915 -9.766 9.041 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.576 -6.374 11.012 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.970 -10.544 11.172 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -6.633 -7.150 13.144 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.331 -9.238 13.228 1.00 0.00 H new ATOM 197 N ARG A 17 -5.721 -4.895 9.249 1.00 0.00 N ATOM 198 CA ARG A 17 -5.706 -3.541 9.790 1.00 0.00 C ATOM 199 C ARG A 17 -4.275 -3.038 9.953 1.00 0.00 C ATOM 200 O ARG A 17 -3.321 -3.815 9.897 1.00 0.00 O ATOM 201 CB ARG A 17 -6.429 -3.500 11.137 1.00 0.00 C ATOM 202 CG ARG A 17 -5.596 -4.031 12.292 1.00 0.00 C ATOM 203 CD ARG A 17 -6.072 -3.474 13.625 1.00 0.00 C ATOM 204 NE ARG A 17 -5.861 -4.418 14.719 1.00 0.00 N ATOM 205 CZ ARG A 17 -6.721 -5.380 15.036 1.00 0.00 C ATOM 206 NH1 ARG A 17 -7.843 -5.524 14.346 1.00 0.00 N ATOM 207 NH2 ARG A 17 -6.458 -6.199 16.046 1.00 0.00 N ATOM 0 H ARG A 17 -5.092 -5.545 9.721 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.225 -2.889 9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.720 -2.472 11.352 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.347 -4.083 11.065 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.651 -5.119 12.311 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.550 -3.767 12.139 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.543 -2.546 13.840 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.132 -3.228 13.558 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.007 -4.334 15.270 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.048 -4.896 13.569 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.501 -6.263 14.592 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.595 -6.090 16.579 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.118 -6.937 16.289 1.00 0.00 H new ATOM 221 N CYS A 18 -4.132 -1.732 10.154 1.00 0.00 N ATOM 222 CA CYS A 18 -2.818 -1.123 10.323 1.00 0.00 C ATOM 223 C CYS A 18 -2.139 -1.639 11.589 1.00 0.00 C ATOM 224 O CYS A 18 -2.793 -2.178 12.482 1.00 0.00 O ATOM 225 CB CYS A 18 -2.943 0.401 10.384 1.00 0.00 C ATOM 226 SG CYS A 18 -1.368 1.265 10.681 1.00 0.00 S ATOM 0 H CYS A 18 -4.911 -1.075 10.204 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.205 -1.397 9.464 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.369 0.758 9.446 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.645 0.666 11.175 1.00 0.00 H new ATOM 231 N PHE A 19 -0.823 -1.468 11.659 1.00 0.00 N ATOM 232 CA PHE A 19 -0.054 -1.917 12.814 1.00 0.00 C ATOM 233 C PHE A 19 0.505 -0.728 13.590 1.00 0.00 C ATOM 234 O PHE A 19 0.699 -0.802 14.804 1.00 0.00 O ATOM 235 CB PHE A 19 1.088 -2.833 12.369 1.00 0.00 C ATOM 236 CG PHE A 19 1.647 -2.481 11.020 1.00 0.00 C ATOM 237 CD1 PHE A 19 1.005 -2.888 9.861 1.00 0.00 C ATOM 238 CD2 PHE A 19 2.815 -1.744 10.911 1.00 0.00 C ATOM 239 CE1 PHE A 19 1.518 -2.566 8.619 1.00 0.00 C ATOM 240 CE2 PHE A 19 3.332 -1.418 9.671 1.00 0.00 C ATOM 241 CZ PHE A 19 2.683 -1.831 8.523 1.00 0.00 C ATOM 0 H PHE A 19 -0.267 -1.022 10.930 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.723 -2.475 13.470 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.888 -2.788 13.108 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.730 -3.862 12.348 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.094 -3.463 9.929 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.327 -1.420 11.805 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.008 -2.889 7.724 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.242 -0.841 9.600 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.086 -1.580 7.553 1.00 0.00 H new ATOM 251 N ILE A 20 0.763 0.365 12.880 1.00 0.00 N ATOM 252 CA ILE A 20 1.299 1.570 13.502 1.00 0.00 C ATOM 253 C ILE A 20 0.287 2.193 14.457 1.00 0.00 C ATOM 254 O ILE A 20 0.658 2.798 15.463 1.00 0.00 O ATOM 255 CB ILE A 20 1.704 2.615 12.446 1.00 0.00 C ATOM 256 CG1 ILE A 20 2.813 2.063 11.548 1.00 0.00 C ATOM 257 CG2 ILE A 20 2.153 3.903 13.121 1.00 0.00 C ATOM 258 CD1 ILE A 20 2.997 2.844 10.266 1.00 0.00 C ATOM 0 H ILE A 20 0.610 0.441 11.874 1.00 0.00 H new ATOM 0 HA ILE A 20 2.184 1.269 14.062 1.00 0.00 H new ATOM 0 HB ILE A 20 0.836 2.836 11.824 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.752 2.063 12.102 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.588 1.025 11.303 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.436 4.632 12.362 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.336 4.303 13.721 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.009 3.698 13.764 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.799 2.396 9.679 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.071 2.823 9.691 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.253 3.877 10.503 1.00 0.00 H new ATOM 270 N CYS A 21 -0.993 2.040 14.136 1.00 0.00 N ATOM 271 CA CYS A 21 -2.061 2.586 14.965 1.00 0.00 C ATOM 272 C CYS A 21 -3.022 1.486 15.408 1.00 0.00 C ATOM 273 O CYS A 21 -3.840 1.688 16.305 1.00 0.00 O ATOM 274 CB CYS A 21 -2.824 3.669 14.202 1.00 0.00 C ATOM 275 SG CYS A 21 -3.462 3.129 12.583 1.00 0.00 S ATOM 0 H CYS A 21 -1.316 1.542 13.307 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.609 3.028 15.853 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.659 4.010 14.814 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.167 4.526 14.054 1.00 0.00 H new ATOM 280 N ARG A 22 -2.916 0.324 14.772 1.00 0.00 N ATOM 281 CA ARG A 22 -3.776 -0.807 15.099 1.00 0.00 C ATOM 282 C ARG A 22 -5.239 -0.477 14.818 1.00 0.00 C ATOM 283 O ARG A 22 -6.132 -0.895 15.555 1.00 0.00 O ATOM 284 CB ARG A 22 -3.604 -1.197 16.569 1.00 0.00 C ATOM 285 CG ARG A 22 -2.176 -1.564 16.938 1.00 0.00 C ATOM 286 CD ARG A 22 -1.800 -2.940 16.411 1.00 0.00 C ATOM 287 NE ARG A 22 -0.511 -3.392 16.928 1.00 0.00 N ATOM 288 CZ ARG A 22 -0.168 -4.671 17.031 1.00 0.00 C ATOM 289 NH1 ARG A 22 -1.012 -5.620 16.652 1.00 0.00 N ATOM 290 NH2 ARG A 22 1.024 -5.002 17.512 1.00 0.00 N ATOM 0 H ARG A 22 -2.243 0.141 14.027 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.483 -1.648 14.470 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.931 -0.368 17.197 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.256 -2.042 16.791 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.491 -0.819 16.533 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.063 -1.545 18.022 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.573 -3.657 16.687 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.764 -2.914 15.322 1.00 0.00 H new ATOM 0 HE ARG A 22 0.163 -2.687 17.226 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.928 -5.369 16.280 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.746 -6.601 16.732 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.677 -4.274 17.803 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.287 -5.984 17.591 1.00 0.00 H new ATOM 304 N GLN A 23 -5.475 0.275 13.747 1.00 0.00 N ATOM 305 CA GLN A 23 -6.829 0.662 13.370 1.00 0.00 C ATOM 306 C GLN A 23 -7.134 0.246 11.935 1.00 0.00 C ATOM 307 O GLN A 23 -6.241 -0.168 11.195 1.00 0.00 O ATOM 308 CB GLN A 23 -7.013 2.172 13.526 1.00 0.00 C ATOM 309 CG GLN A 23 -6.041 2.805 14.508 1.00 0.00 C ATOM 310 CD GLN A 23 -6.516 2.705 15.945 1.00 0.00 C ATOM 311 OE1 GLN A 23 -7.595 2.179 16.219 1.00 0.00 O ATOM 312 NE2 GLN A 23 -5.710 3.211 16.871 1.00 0.00 N ATOM 0 H GLN A 23 -4.747 0.628 13.126 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.525 0.148 14.034 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.893 2.647 12.552 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.032 2.373 13.856 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.069 2.320 14.416 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.899 3.854 14.248 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.825 3.638 16.598 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.976 3.173 17.855 1.00 0.00 H new ATOM 321 N ALA A 24 -8.400 0.358 11.547 1.00 0.00 N ATOM 322 CA ALA A 24 -8.822 -0.005 10.200 1.00 0.00 C ATOM 323 C ALA A 24 -7.956 0.682 9.150 1.00 0.00 C ATOM 324 O ALA A 24 -7.813 1.905 9.151 1.00 0.00 O ATOM 325 CB ALA A 24 -10.287 0.349 9.993 1.00 0.00 C ATOM 0 H ALA A 24 -9.152 0.698 12.147 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.700 -1.082 10.085 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.589 0.073 8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.898 -0.193 10.715 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.425 1.421 10.132 1.00 0.00 H new ATOM 331 N PHE A 25 -7.378 -0.112 8.254 1.00 0.00 N ATOM 332 CA PHE A 25 -6.524 0.420 7.199 1.00 0.00 C ATOM 333 C PHE A 25 -7.210 1.574 6.474 1.00 0.00 C ATOM 334 O PHE A 25 -8.177 1.372 5.740 1.00 0.00 O ATOM 335 CB PHE A 25 -6.164 -0.683 6.201 1.00 0.00 C ATOM 336 CG PHE A 25 -4.892 -1.406 6.539 1.00 0.00 C ATOM 337 CD1 PHE A 25 -3.738 -0.701 6.841 1.00 0.00 C ATOM 338 CD2 PHE A 25 -4.850 -2.791 6.554 1.00 0.00 C ATOM 339 CE1 PHE A 25 -2.566 -1.363 7.153 1.00 0.00 C ATOM 340 CE2 PHE A 25 -3.681 -3.458 6.866 1.00 0.00 C ATOM 341 CZ PHE A 25 -2.537 -2.744 7.164 1.00 0.00 C ATOM 0 H PHE A 25 -7.486 -1.126 8.238 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.611 0.796 7.660 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.981 -1.403 6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.071 -0.246 5.207 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.755 0.379 6.832 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.741 -3.355 6.319 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.674 -0.801 7.388 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.662 -4.538 6.877 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.622 -3.264 7.405 1.00 0.00 H new ATOM 351 N GLN A 26 -6.703 2.784 6.687 1.00 0.00 N ATOM 352 CA GLN A 26 -7.267 3.970 6.055 1.00 0.00 C ATOM 353 C GLN A 26 -6.344 4.495 4.960 1.00 0.00 C ATOM 354 O GLN A 26 -5.282 5.048 5.243 1.00 0.00 O ATOM 355 CB GLN A 26 -7.512 5.062 7.098 1.00 0.00 C ATOM 356 CG GLN A 26 -8.879 4.976 7.759 1.00 0.00 C ATOM 357 CD GLN A 26 -9.966 5.642 6.940 1.00 0.00 C ATOM 358 OE1 GLN A 26 -10.955 5.010 6.568 1.00 0.00 O ATOM 359 NE2 GLN A 26 -9.789 6.927 6.654 1.00 0.00 N ATOM 0 H GLN A 26 -5.903 2.968 7.292 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.218 3.691 5.601 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.741 4.999 7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.408 6.037 6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.137 3.929 7.915 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.833 5.443 8.743 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.954 7.412 6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.488 7.428 6.106 1.00 0.00 H new ATOM 368 N ASN A 27 -6.757 4.318 3.709 1.00 0.00 N ATOM 369 CA ASN A 27 -5.967 4.773 2.572 1.00 0.00 C ATOM 370 C ASN A 27 -4.557 4.192 2.622 1.00 0.00 C ATOM 371 O ASN A 27 -3.560 4.910 2.545 1.00 0.00 O ATOM 372 CB ASN A 27 -5.900 6.302 2.549 1.00 0.00 C ATOM 373 CG ASN A 27 -7.203 6.944 2.985 1.00 0.00 C ATOM 374 OD1 ASN A 27 -8.286 6.427 2.709 1.00 0.00 O ATOM 375 ND2 ASN A 27 -7.104 8.077 3.670 1.00 0.00 N ATOM 0 H ASN A 27 -7.634 3.863 3.458 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.453 4.424 1.661 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.096 6.638 3.204 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.652 6.637 1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.946 8.555 3.990 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.185 8.470 3.876 1.00 0.00 H new ATOM 382 N PRO A 28 -4.470 2.860 2.753 1.00 0.00 N ATOM 383 CA PRO A 28 -3.188 2.153 2.815 1.00 0.00 C ATOM 384 C PRO A 28 -2.452 2.167 1.479 1.00 0.00 C ATOM 385 O PRO A 28 -3.074 2.175 0.417 1.00 0.00 O ATOM 386 CB PRO A 28 -3.589 0.724 3.189 1.00 0.00 C ATOM 387 CG PRO A 28 -4.990 0.584 2.703 1.00 0.00 C ATOM 388 CD PRO A 28 -5.617 1.942 2.851 1.00 0.00 C ATOM 0 HA PRO A 28 -2.501 2.617 3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.932 -0.007 2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.526 0.564 4.265 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.012 0.255 1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.532 -0.162 3.285 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.352 2.133 2.069 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.133 2.044 3.806 1.00 0.00 H new ATOM 396 N VAL A 29 -1.125 2.171 1.540 1.00 0.00 N ATOM 397 CA VAL A 29 -0.304 2.183 0.334 1.00 0.00 C ATOM 398 C VAL A 29 0.723 1.057 0.358 1.00 0.00 C ATOM 399 O VAL A 29 1.314 0.762 1.397 1.00 0.00 O ATOM 400 CB VAL A 29 0.428 3.528 0.167 1.00 0.00 C ATOM 401 CG1 VAL A 29 -0.565 4.643 -0.124 1.00 0.00 C ATOM 402 CG2 VAL A 29 1.250 3.844 1.407 1.00 0.00 C ATOM 0 H VAL A 29 -0.595 2.166 2.411 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.978 2.038 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 29 1.108 3.450 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.030 5.586 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.106 4.418 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.272 4.725 0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.760 4.798 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.592 3.904 2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.987 3.057 1.565 1.00 0.00 H new ATOM 412 N VAL A 30 0.933 0.430 -0.796 1.00 0.00 N ATOM 413 CA VAL A 30 1.891 -0.663 -0.909 1.00 0.00 C ATOM 414 C VAL A 30 3.287 -0.140 -1.224 1.00 0.00 C ATOM 415 O VAL A 30 3.465 0.692 -2.115 1.00 0.00 O ATOM 416 CB VAL A 30 1.471 -1.666 -2.000 1.00 0.00 C ATOM 417 CG1 VAL A 30 1.648 -1.057 -3.382 1.00 0.00 C ATOM 418 CG2 VAL A 30 2.267 -2.956 -1.871 1.00 0.00 C ATOM 0 H VAL A 30 0.452 0.661 -1.665 1.00 0.00 H new ATOM 0 HA VAL A 30 1.907 -1.172 0.055 1.00 0.00 H new ATOM 0 HB VAL A 30 0.415 -1.902 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.346 -1.780 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.030 -0.163 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.694 -0.791 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.958 -3.654 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.330 -2.740 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.084 -3.400 -0.892 1.00 0.00 H new ATOM 428 N THR A 31 4.279 -0.632 -0.488 1.00 0.00 N ATOM 429 CA THR A 31 5.660 -0.214 -0.689 1.00 0.00 C ATOM 430 C THR A 31 6.472 -1.308 -1.374 1.00 0.00 C ATOM 431 O THR A 31 5.959 -2.391 -1.657 1.00 0.00 O ATOM 432 CB THR A 31 6.336 0.150 0.646 1.00 0.00 C ATOM 433 OG1 THR A 31 6.032 -0.839 1.636 1.00 0.00 O ATOM 434 CG2 THR A 31 5.877 1.517 1.130 1.00 0.00 C ATOM 0 H THR A 31 4.151 -1.321 0.253 1.00 0.00 H new ATOM 0 HA THR A 31 5.633 0.669 -1.328 1.00 0.00 H new ATOM 0 HB THR A 31 7.414 0.182 0.485 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.799 -0.948 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.368 1.752 2.074 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.137 2.272 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.797 1.508 1.275 1.00 0.00 H new ATOM 442 N LYS A 32 7.741 -1.018 -1.638 1.00 0.00 N ATOM 443 CA LYS A 32 8.626 -1.978 -2.289 1.00 0.00 C ATOM 444 C LYS A 32 8.836 -3.207 -1.411 1.00 0.00 C ATOM 445 O LYS A 32 9.115 -4.298 -1.909 1.00 0.00 O ATOM 446 CB LYS A 32 9.974 -1.327 -2.605 1.00 0.00 C ATOM 447 CG LYS A 32 9.876 -0.168 -3.582 1.00 0.00 C ATOM 448 CD LYS A 32 9.987 -0.641 -5.021 1.00 0.00 C ATOM 449 CE LYS A 32 10.581 0.435 -5.917 1.00 0.00 C ATOM 450 NZ LYS A 32 12.069 0.376 -5.942 1.00 0.00 N ATOM 0 H LYS A 32 8.180 -0.126 -1.411 1.00 0.00 H new ATOM 0 HA LYS A 32 8.155 -2.295 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.423 -0.972 -1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.645 -2.082 -3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.927 0.349 -3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.666 0.553 -3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.608 -1.536 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.000 -0.920 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.196 0.318 -6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.262 1.417 -5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.436 1.125 -6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.438 0.513 -4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.374 -0.551 -6.301 1.00 0.00 H new ATOM 464 N CYS A 33 8.698 -3.024 -0.102 1.00 0.00 N ATOM 465 CA CYS A 33 8.872 -4.117 0.846 1.00 0.00 C ATOM 466 C CYS A 33 7.596 -4.947 0.960 1.00 0.00 C ATOM 467 O CYS A 33 7.451 -5.760 1.872 1.00 0.00 O ATOM 468 CB CYS A 33 9.261 -3.571 2.221 1.00 0.00 C ATOM 469 SG CYS A 33 8.267 -2.144 2.764 1.00 0.00 S ATOM 0 H CYS A 33 8.466 -2.128 0.326 1.00 0.00 H new ATOM 0 HA CYS A 33 9.672 -4.759 0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.164 -4.369 2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.312 -3.282 2.201 1.00 0.00 H new ATOM 474 N ARG A 34 6.674 -4.735 0.026 1.00 0.00 N ATOM 475 CA ARG A 34 5.410 -5.462 0.021 1.00 0.00 C ATOM 476 C ARG A 34 4.667 -5.269 1.340 1.00 0.00 C ATOM 477 O ARG A 34 4.161 -6.228 1.925 1.00 0.00 O ATOM 478 CB ARG A 34 5.655 -6.951 -0.226 1.00 0.00 C ATOM 479 CG ARG A 34 5.749 -7.317 -1.699 1.00 0.00 C ATOM 480 CD ARG A 34 4.371 -7.477 -2.322 1.00 0.00 C ATOM 481 NE ARG A 34 4.440 -8.043 -3.666 1.00 0.00 N ATOM 482 CZ ARG A 34 3.457 -7.950 -4.554 1.00 0.00 C ATOM 483 NH1 ARG A 34 2.335 -7.316 -4.242 1.00 0.00 N ATOM 484 NH2 ARG A 34 3.595 -8.491 -5.758 1.00 0.00 N ATOM 0 H ARG A 34 6.779 -4.066 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 34 4.793 -5.064 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.578 -7.246 0.273 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.848 -7.524 0.231 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.303 -6.545 -2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.309 -8.245 -1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.760 -8.120 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.877 -6.506 -2.362 1.00 0.00 H new ATOM 0 HE ARG A 34 5.290 -8.537 -3.938 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.225 -6.898 -3.318 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.582 -7.246 -4.926 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.457 -8.979 -6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.839 -8.419 -6.439 1.00 0.00 H new ATOM 498 N HIS A 35 4.607 -4.025 1.804 1.00 0.00 N ATOM 499 CA HIS A 35 3.926 -3.707 3.054 1.00 0.00 C ATOM 500 C HIS A 35 2.900 -2.597 2.846 1.00 0.00 C ATOM 501 O HIS A 35 2.962 -1.856 1.865 1.00 0.00 O ATOM 502 CB HIS A 35 4.940 -3.287 4.119 1.00 0.00 C ATOM 503 CG HIS A 35 5.721 -4.433 4.687 1.00 0.00 C ATOM 504 ND1 HIS A 35 6.847 -4.264 5.464 1.00 0.00 N ATOM 505 CD2 HIS A 35 5.531 -5.769 4.587 1.00 0.00 C ATOM 506 CE1 HIS A 35 7.317 -5.447 5.818 1.00 0.00 C ATOM 507 NE2 HIS A 35 6.536 -6.377 5.299 1.00 0.00 N ATOM 0 H HIS A 35 5.022 -3.221 1.333 1.00 0.00 H new ATOM 0 HA HIS A 35 3.404 -4.602 3.393 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.632 -2.565 3.685 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.415 -2.779 4.928 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.737 -6.265 4.048 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.191 -5.623 6.428 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.659 -7.384 5.409 1.00 0.00 H new ATOM 515 N TYR A 36 1.957 -2.489 3.775 1.00 0.00 N ATOM 516 CA TYR A 36 0.916 -1.472 3.693 1.00 0.00 C ATOM 517 C TYR A 36 0.917 -0.588 4.936 1.00 0.00 C ATOM 518 O TYR A 36 1.236 -1.043 6.035 1.00 0.00 O ATOM 519 CB TYR A 36 -0.455 -2.129 3.522 1.00 0.00 C ATOM 520 CG TYR A 36 -0.444 -3.320 2.591 1.00 0.00 C ATOM 521 CD1 TYR A 36 -0.376 -3.149 1.214 1.00 0.00 C ATOM 522 CD2 TYR A 36 -0.502 -4.616 3.088 1.00 0.00 C ATOM 523 CE1 TYR A 36 -0.367 -4.235 0.359 1.00 0.00 C ATOM 524 CE2 TYR A 36 -0.492 -5.707 2.241 1.00 0.00 C ATOM 525 CZ TYR A 36 -0.424 -5.511 0.877 1.00 0.00 C ATOM 526 OH TYR A 36 -0.415 -6.596 0.030 1.00 0.00 O ATOM 0 H TYR A 36 1.892 -3.094 4.594 1.00 0.00 H new ATOM 0 HA TYR A 36 1.123 -0.846 2.825 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.821 -2.445 4.499 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.159 -1.388 3.142 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.329 -2.151 0.805 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.556 -4.773 4.155 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.316 -4.085 -0.709 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.537 -6.708 2.644 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.459 -7.422 0.556 1.00 0.00 H new ATOM 536 N PHE A 37 0.557 0.678 4.754 1.00 0.00 N ATOM 537 CA PHE A 37 0.517 1.628 5.861 1.00 0.00 C ATOM 538 C PHE A 37 -0.463 2.760 5.569 1.00 0.00 C ATOM 539 O PHE A 37 -0.580 3.219 4.432 1.00 0.00 O ATOM 540 CB PHE A 37 1.912 2.200 6.121 1.00 0.00 C ATOM 541 CG PHE A 37 3.020 1.219 5.863 1.00 0.00 C ATOM 542 CD1 PHE A 37 3.318 0.814 4.571 1.00 0.00 C ATOM 543 CD2 PHE A 37 3.763 0.700 6.911 1.00 0.00 C ATOM 544 CE1 PHE A 37 4.337 -0.088 4.330 1.00 0.00 C ATOM 545 CE2 PHE A 37 4.783 -0.202 6.676 1.00 0.00 C ATOM 546 CZ PHE A 37 5.070 -0.597 5.384 1.00 0.00 C ATOM 0 H PHE A 37 0.289 1.070 3.851 1.00 0.00 H new ATOM 0 HA PHE A 37 0.178 1.098 6.751 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.060 3.077 5.490 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.970 2.538 7.156 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.747 1.208 3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.542 1.004 7.924 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.560 -0.394 3.319 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.355 -0.598 7.502 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.866 -1.303 5.198 1.00 0.00 H new ATOM 556 N CYS A 38 -1.166 3.207 6.605 1.00 0.00 N ATOM 557 CA CYS A 38 -2.138 4.285 6.462 1.00 0.00 C ATOM 558 C CYS A 38 -1.500 5.510 5.813 1.00 0.00 C ATOM 559 O CYS A 38 -0.444 5.973 6.243 1.00 0.00 O ATOM 560 CB CYS A 38 -2.717 4.661 7.827 1.00 0.00 C ATOM 561 SG CYS A 38 -3.329 3.242 8.792 1.00 0.00 S ATOM 0 H CYS A 38 -1.081 2.839 7.553 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.943 3.932 5.818 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.950 5.176 8.405 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.535 5.367 7.681 1.00 0.00 H new ATOM 566 N GLU A 39 -2.148 6.028 4.774 1.00 0.00 N ATOM 567 CA GLU A 39 -1.644 7.198 4.066 1.00 0.00 C ATOM 568 C GLU A 39 -1.087 8.228 5.044 1.00 0.00 C ATOM 569 O GLU A 39 -0.147 8.957 4.726 1.00 0.00 O ATOM 570 CB GLU A 39 -2.753 7.828 3.221 1.00 0.00 C ATOM 571 CG GLU A 39 -2.288 9.011 2.389 1.00 0.00 C ATOM 572 CD GLU A 39 -3.384 10.033 2.164 1.00 0.00 C ATOM 573 OE1 GLU A 39 -3.626 10.854 3.073 1.00 0.00 O ATOM 574 OE2 GLU A 39 -4.001 10.013 1.078 1.00 0.00 O ATOM 0 H GLU A 39 -3.023 5.656 4.404 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.837 6.873 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.168 7.069 2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.559 8.152 3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.445 9.491 2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.927 8.653 1.425 1.00 0.00 H new ATOM 581 N SER A 40 -1.674 8.282 6.235 1.00 0.00 N ATOM 582 CA SER A 40 -1.240 9.225 7.259 1.00 0.00 C ATOM 583 C SER A 40 -0.022 8.693 8.007 1.00 0.00 C ATOM 584 O SER A 40 0.957 9.411 8.215 1.00 0.00 O ATOM 585 CB SER A 40 -2.378 9.500 8.245 1.00 0.00 C ATOM 586 OG SER A 40 -1.933 10.297 9.329 1.00 0.00 O ATOM 0 H SER A 40 -2.451 7.684 6.515 1.00 0.00 H new ATOM 0 HA SER A 40 -0.963 10.157 6.765 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.195 10.005 7.730 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.773 8.556 8.622 1.00 0.00 H new ATOM 0 HG SER A 40 -2.679 10.460 9.943 1.00 0.00 H new ATOM 592 N CYS A 41 -0.088 7.429 8.410 1.00 0.00 N ATOM 593 CA CYS A 41 1.007 6.798 9.136 1.00 0.00 C ATOM 594 C CYS A 41 2.293 6.828 8.313 1.00 0.00 C ATOM 595 O CYS A 41 3.353 7.201 8.814 1.00 0.00 O ATOM 596 CB CYS A 41 0.648 5.353 9.488 1.00 0.00 C ATOM 597 SG CYS A 41 -0.521 5.195 10.876 1.00 0.00 S ATOM 0 H CYS A 41 -0.890 6.821 8.246 1.00 0.00 H new ATOM 0 HA CYS A 41 1.171 7.359 10.056 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.219 4.872 8.609 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.562 4.812 9.733 1.00 0.00 H new ATOM 602 N ALA A 42 2.189 6.432 7.049 1.00 0.00 N ATOM 603 CA ALA A 42 3.341 6.416 6.156 1.00 0.00 C ATOM 604 C ALA A 42 3.995 7.792 6.079 1.00 0.00 C ATOM 605 O ALA A 42 5.211 7.921 6.223 1.00 0.00 O ATOM 606 CB ALA A 42 2.928 5.947 4.769 1.00 0.00 C ATOM 0 H ALA A 42 1.319 6.118 6.620 1.00 0.00 H new ATOM 0 HA ALA A 42 4.073 5.717 6.560 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.798 5.940 4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.514 4.941 4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.175 6.624 4.365 1.00 0.00 H new ATOM 612 N LEU A 43 3.181 8.816 5.849 1.00 0.00 N ATOM 613 CA LEU A 43 3.680 10.183 5.751 1.00 0.00 C ATOM 614 C LEU A 43 4.190 10.674 7.102 1.00 0.00 C ATOM 615 O LEU A 43 5.366 11.005 7.249 1.00 0.00 O ATOM 616 CB LEU A 43 2.580 11.114 5.239 1.00 0.00 C ATOM 617 CG LEU A 43 2.023 10.795 3.851 1.00 0.00 C ATOM 618 CD1 LEU A 43 0.789 11.636 3.565 1.00 0.00 C ATOM 619 CD2 LEU A 43 3.085 11.024 2.785 1.00 0.00 C ATOM 0 H LEU A 43 2.172 8.726 5.727 1.00 0.00 H new ATOM 0 HA LEU A 43 4.510 10.191 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.756 11.096 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.970 12.132 5.227 1.00 0.00 H new ATOM 0 HG LEU A 43 1.735 9.744 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.407 11.395 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.023 11.423 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.052 12.693 3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.671 10.792 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.404 12.066 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.941 10.378 2.980 1.00 0.00 H new ATOM 631 N GLU A 44 3.297 10.717 8.086 1.00 0.00 N ATOM 632 CA GLU A 44 3.658 11.167 9.425 1.00 0.00 C ATOM 633 C GLU A 44 4.920 10.461 9.915 1.00 0.00 C ATOM 634 O GLU A 44 5.885 11.105 10.326 1.00 0.00 O ATOM 635 CB GLU A 44 2.507 10.912 10.400 1.00 0.00 C ATOM 636 CG GLU A 44 2.844 11.252 11.842 1.00 0.00 C ATOM 637 CD GLU A 44 2.581 12.708 12.175 1.00 0.00 C ATOM 638 OE1 GLU A 44 1.458 13.184 11.907 1.00 0.00 O ATOM 639 OE2 GLU A 44 3.498 13.371 12.704 1.00 0.00 O ATOM 0 H GLU A 44 2.319 10.446 7.981 1.00 0.00 H new ATOM 0 HA GLU A 44 3.856 12.238 9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.642 11.499 10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.218 9.863 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.257 10.619 12.507 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.893 11.024 12.029 1.00 0.00 H new ATOM 646 N HIS A 45 4.903 9.133 9.867 1.00 0.00 N ATOM 647 CA HIS A 45 6.045 8.338 10.306 1.00 0.00 C ATOM 648 C HIS A 45 7.275 8.638 9.454 1.00 0.00 C ATOM 649 O HIS A 45 8.385 8.764 9.970 1.00 0.00 O ATOM 650 CB HIS A 45 5.713 6.847 10.235 1.00 0.00 C ATOM 651 CG HIS A 45 6.630 5.990 11.053 1.00 0.00 C ATOM 652 ND1 HIS A 45 6.908 6.239 12.380 1.00 0.00 N ATOM 653 CD2 HIS A 45 7.331 4.880 10.725 1.00 0.00 C ATOM 654 CE1 HIS A 45 7.743 5.321 12.833 1.00 0.00 C ATOM 655 NE2 HIS A 45 8.015 4.484 11.848 1.00 0.00 N ATOM 0 H HIS A 45 4.112 8.585 9.529 1.00 0.00 H new ATOM 0 HA HIS A 45 6.266 8.605 11.340 1.00 0.00 H new ATOM 0 HB2 HIS A 45 4.688 6.695 10.574 1.00 0.00 H new ATOM 0 HB3 HIS A 45 5.757 6.522 9.195 1.00 0.00 H new ATOM 0 HD2 HIS A 45 7.349 4.396 9.760 1.00 0.00 H new ATOM 0 HE1 HIS A 45 8.136 5.264 13.837 1.00 0.00 H new ATOM 0 HE2 HIS A 45 8.633 3.675 11.911 1.00 0.00 H new ATOM 663 N PHE A 46 7.069 8.750 8.145 1.00 0.00 N ATOM 664 CA PHE A 46 8.161 9.033 7.222 1.00 0.00 C ATOM 665 C PHE A 46 8.980 10.230 7.698 1.00 0.00 C ATOM 666 O PHE A 46 10.209 10.177 7.740 1.00 0.00 O ATOM 667 CB PHE A 46 7.614 9.301 5.818 1.00 0.00 C ATOM 668 CG PHE A 46 8.563 10.066 4.940 1.00 0.00 C ATOM 669 CD1 PHE A 46 9.617 9.424 4.312 1.00 0.00 C ATOM 670 CD2 PHE A 46 8.400 11.428 4.744 1.00 0.00 C ATOM 671 CE1 PHE A 46 10.492 10.124 3.504 1.00 0.00 C ATOM 672 CE2 PHE A 46 9.272 12.134 3.936 1.00 0.00 C ATOM 673 CZ PHE A 46 10.320 11.482 3.316 1.00 0.00 C ATOM 0 H PHE A 46 6.156 8.649 7.701 1.00 0.00 H new ATOM 0 HA PHE A 46 8.812 8.159 7.190 1.00 0.00 H new ATOM 0 HB2 PHE A 46 7.378 8.350 5.341 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.680 9.857 5.901 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.757 8.363 4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.583 11.943 5.227 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.309 9.610 3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.134 13.195 3.790 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.003 12.032 2.686 1.00 0.00 H new ATOM 683 N ARG A 47 8.289 11.308 8.053 1.00 0.00 N ATOM 684 CA ARG A 47 8.951 12.519 8.524 1.00 0.00 C ATOM 685 C ARG A 47 10.004 12.188 9.578 1.00 0.00 C ATOM 686 O ARG A 47 11.154 12.614 9.475 1.00 0.00 O ATOM 687 CB ARG A 47 7.924 13.494 9.103 1.00 0.00 C ATOM 688 CG ARG A 47 7.023 14.124 8.054 1.00 0.00 C ATOM 689 CD ARG A 47 5.710 14.595 8.658 1.00 0.00 C ATOM 690 NE ARG A 47 4.760 15.027 7.635 1.00 0.00 N ATOM 691 CZ ARG A 47 3.678 15.751 7.896 1.00 0.00 C ATOM 692 NH1 ARG A 47 3.409 16.123 9.139 1.00 0.00 N ATOM 693 NH2 ARG A 47 2.862 16.105 6.911 1.00 0.00 N ATOM 0 H ARG A 47 7.271 11.368 8.024 1.00 0.00 H new ATOM 0 HA ARG A 47 9.447 12.986 7.673 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.307 12.968 9.831 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.448 14.284 9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.536 14.968 7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.822 13.401 7.263 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.270 13.788 9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.902 15.419 9.345 1.00 0.00 H new ATOM 0 HE ARG A 47 4.938 14.758 6.667 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.034 15.853 9.899 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.577 16.679 9.336 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.066 15.821 5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.031 16.661 7.112 1.00 0.00 H new ATOM 707 N ALA A 48 9.603 11.426 10.590 1.00 0.00 N ATOM 708 CA ALA A 48 10.512 11.037 11.661 1.00 0.00 C ATOM 709 C ALA A 48 11.552 10.039 11.162 1.00 0.00 C ATOM 710 O ALA A 48 12.755 10.249 11.319 1.00 0.00 O ATOM 711 CB ALA A 48 9.732 10.450 12.828 1.00 0.00 C ATOM 0 H ALA A 48 8.654 11.066 10.691 1.00 0.00 H new ATOM 0 HA ALA A 48 11.037 11.930 12.001 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.423 10.164 13.621 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.032 11.194 13.208 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.181 9.571 12.492 1.00 0.00 H new ATOM 717 N THR A 49 11.081 8.951 10.561 1.00 0.00 N ATOM 718 CA THR A 49 11.970 7.920 10.041 1.00 0.00 C ATOM 719 C THR A 49 11.781 7.736 8.540 1.00 0.00 C ATOM 720 O THR A 49 10.708 7.361 8.066 1.00 0.00 O ATOM 721 CB THR A 49 11.736 6.570 10.745 1.00 0.00 C ATOM 722 OG1 THR A 49 12.632 5.583 10.222 1.00 0.00 O ATOM 723 CG2 THR A 49 10.299 6.105 10.562 1.00 0.00 C ATOM 0 H THR A 49 10.088 8.761 10.422 1.00 0.00 H new ATOM 0 HA THR A 49 12.989 8.253 10.238 1.00 0.00 H new ATOM 0 HB THR A 49 11.925 6.704 11.810 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.478 4.728 10.676 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.158 5.150 11.068 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.620 6.844 10.987 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.087 5.987 9.499 1.00 0.00 H new ATOM 731 N PRO A 50 12.846 8.006 7.771 1.00 0.00 N ATOM 732 CA PRO A 50 12.823 7.876 6.311 1.00 0.00 C ATOM 733 C PRO A 50 12.742 6.422 5.860 1.00 0.00 C ATOM 734 O PRO A 50 12.767 6.132 4.664 1.00 0.00 O ATOM 735 CB PRO A 50 14.153 8.498 5.878 1.00 0.00 C ATOM 736 CG PRO A 50 15.046 8.344 7.061 1.00 0.00 C ATOM 737 CD PRO A 50 14.157 8.458 8.268 1.00 0.00 C ATOM 0 HA PRO A 50 11.949 8.358 5.873 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.562 7.990 5.005 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.030 9.547 5.608 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.557 7.381 7.042 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.818 9.114 7.070 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.512 7.835 9.089 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.114 9.482 8.640 1.00 0.00 H new ATOM 745 N ARG A 51 12.645 5.512 6.824 1.00 0.00 N ATOM 746 CA ARG A 51 12.562 4.088 6.524 1.00 0.00 C ATOM 747 C ARG A 51 11.227 3.512 6.989 1.00 0.00 C ATOM 748 O ARG A 51 10.434 4.198 7.633 1.00 0.00 O ATOM 749 CB ARG A 51 13.714 3.336 7.193 1.00 0.00 C ATOM 750 CG ARG A 51 15.080 3.944 6.916 1.00 0.00 C ATOM 751 CD ARG A 51 16.202 2.991 7.300 1.00 0.00 C ATOM 752 NE ARG A 51 17.507 3.645 7.274 1.00 0.00 N ATOM 753 CZ ARG A 51 18.554 3.223 7.975 1.00 0.00 C ATOM 754 NH1 ARG A 51 18.449 2.154 8.752 1.00 0.00 N ATOM 755 NH2 ARG A 51 19.709 3.871 7.899 1.00 0.00 N ATOM 0 H ARG A 51 12.622 5.736 7.819 1.00 0.00 H new ATOM 0 HA ARG A 51 12.636 3.965 5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.546 3.315 8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.710 2.302 6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 51 15.160 4.195 5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.185 4.875 7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 51 16.015 2.594 8.298 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.208 2.143 6.615 1.00 0.00 H new ATOM 0 HE ARG A 51 17.621 4.471 6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 51 17.563 1.653 8.813 1.00 0.00 H new ATOM 0 HH12 ARG A 51 19.255 1.833 9.289 1.00 0.00 H new ATOM 0 HH21 ARG A 51 19.794 4.694 7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 51 20.512 3.546 8.437 1.00 0.00 H new ATOM 769 N CYS A 52 10.987 2.248 6.657 1.00 0.00 N ATOM 770 CA CYS A 52 9.749 1.579 7.039 1.00 0.00 C ATOM 771 C CYS A 52 9.630 1.480 8.557 1.00 0.00 C ATOM 772 O CYS A 52 10.579 1.770 9.285 1.00 0.00 O ATOM 773 CB CYS A 52 9.688 0.181 6.419 1.00 0.00 C ATOM 774 SG CYS A 52 8.025 -0.562 6.424 1.00 0.00 S ATOM 0 H CYS A 52 11.634 1.666 6.124 1.00 0.00 H new ATOM 0 HA CYS A 52 8.914 2.172 6.665 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.047 0.235 5.391 1.00 0.00 H new ATOM 0 HB3 CYS A 52 10.369 -0.475 6.961 1.00 0.00 H new ATOM 779 N TYR A 53 8.457 1.069 9.027 1.00 0.00 N ATOM 780 CA TYR A 53 8.212 0.934 10.457 1.00 0.00 C ATOM 781 C TYR A 53 8.292 -0.527 10.888 1.00 0.00 C ATOM 782 O TYR A 53 8.551 -0.829 12.054 1.00 0.00 O ATOM 783 CB TYR A 53 6.842 1.510 10.818 1.00 0.00 C ATOM 784 CG TYR A 53 6.361 1.111 12.195 1.00 0.00 C ATOM 785 CD1 TYR A 53 6.907 1.685 13.336 1.00 0.00 C ATOM 786 CD2 TYR A 53 5.361 0.159 12.355 1.00 0.00 C ATOM 787 CE1 TYR A 53 6.471 1.323 14.596 1.00 0.00 C ATOM 788 CE2 TYR A 53 4.918 -0.208 13.611 1.00 0.00 C ATOM 789 CZ TYR A 53 5.476 0.377 14.728 1.00 0.00 C ATOM 790 OH TYR A 53 5.039 0.013 15.981 1.00 0.00 O ATOM 0 H TYR A 53 7.661 0.824 8.438 1.00 0.00 H new ATOM 0 HA TYR A 53 8.984 1.493 10.986 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.887 2.597 10.759 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.112 1.181 10.078 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.686 2.427 13.236 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.923 -0.302 11.482 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.907 1.778 15.473 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.139 -0.949 13.717 1.00 0.00 H new ATOM 0 HH TYR A 53 4.334 -0.663 15.898 1.00 0.00 H new ATOM 800 N ILE A 54 8.068 -1.430 9.939 1.00 0.00 N ATOM 801 CA ILE A 54 8.117 -2.860 10.219 1.00 0.00 C ATOM 802 C ILE A 54 9.460 -3.455 9.810 1.00 0.00 C ATOM 803 O ILE A 54 10.160 -4.053 10.627 1.00 0.00 O ATOM 804 CB ILE A 54 6.990 -3.614 9.488 1.00 0.00 C ATOM 805 CG1 ILE A 54 5.648 -3.367 10.180 1.00 0.00 C ATOM 806 CG2 ILE A 54 7.298 -5.103 9.435 1.00 0.00 C ATOM 807 CD1 ILE A 54 4.467 -3.946 9.434 1.00 0.00 C ATOM 0 H ILE A 54 7.851 -1.197 8.970 1.00 0.00 H new ATOM 0 HA ILE A 54 7.984 -2.976 11.295 1.00 0.00 H new ATOM 0 HB ILE A 54 6.925 -3.239 8.467 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.681 -3.796 11.181 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.502 -2.293 10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.493 -5.623 8.916 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.236 -5.262 8.902 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.386 -5.493 10.449 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.550 -3.733 9.983 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.409 -3.499 8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.590 -5.025 9.339 1.00 0.00 H new ATOM 819 N CYS A 55 9.815 -3.284 8.541 1.00 0.00 N ATOM 820 CA CYS A 55 11.075 -3.803 8.023 1.00 0.00 C ATOM 821 C CYS A 55 12.178 -2.753 8.125 1.00 0.00 C ATOM 822 O CYS A 55 13.356 -3.054 7.929 1.00 0.00 O ATOM 823 CB CYS A 55 10.909 -4.245 6.568 1.00 0.00 C ATOM 824 SG CYS A 55 10.569 -2.880 5.411 1.00 0.00 S ATOM 0 H CYS A 55 9.248 -2.790 7.852 1.00 0.00 H new ATOM 0 HA CYS A 55 11.360 -4.665 8.627 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.816 -4.759 6.250 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.095 -4.968 6.510 1.00 0.00 H new ATOM 829 N ASP A 56 11.788 -1.521 8.433 1.00 0.00 N ATOM 830 CA ASP A 56 12.743 -0.427 8.563 1.00 0.00 C ATOM 831 C ASP A 56 13.683 -0.381 7.363 1.00 0.00 C ATOM 832 O ASP A 56 14.902 -0.316 7.520 1.00 0.00 O ATOM 833 CB ASP A 56 13.550 -0.576 9.853 1.00 0.00 C ATOM 834 CG ASP A 56 12.666 -0.749 11.073 1.00 0.00 C ATOM 835 OD1 ASP A 56 11.819 -1.667 11.066 1.00 0.00 O ATOM 836 OD2 ASP A 56 12.820 0.034 12.034 1.00 0.00 O ATOM 0 H ASP A 56 10.817 -1.255 8.597 1.00 0.00 H new ATOM 0 HA ASP A 56 12.184 0.508 8.600 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.215 -1.435 9.765 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.181 0.303 9.987 1.00 0.00 H new ATOM 841 N GLN A 57 13.108 -0.417 6.165 1.00 0.00 N ATOM 842 CA GLN A 57 13.896 -0.382 4.938 1.00 0.00 C ATOM 843 C GLN A 57 13.862 1.008 4.310 1.00 0.00 C ATOM 844 O GLN A 57 12.957 1.805 4.555 1.00 0.00 O ATOM 845 CB GLN A 57 13.373 -1.418 3.942 1.00 0.00 C ATOM 846 CG GLN A 57 13.876 -2.827 4.210 1.00 0.00 C ATOM 847 CD GLN A 57 14.017 -3.648 2.943 1.00 0.00 C ATOM 848 OE1 GLN A 57 13.192 -3.345 1.947 1.00 0.00 O flip ATOM 849 NE2 GLN A 57 14.857 -4.544 2.860 1.00 0.00 N flip ATOM 0 H GLN A 57 12.100 -0.470 6.018 1.00 0.00 H new ATOM 0 HA GLN A 57 14.929 -0.621 5.191 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.283 -1.419 3.970 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.666 -1.122 2.935 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.841 -2.774 4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.189 -3.331 4.890 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.470 -4.743 3.650 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.940 -5.088 2.001 1.00 0.00 H new ATOM 858 N PRO A 58 14.873 1.307 3.480 1.00 0.00 N ATOM 859 CA PRO A 58 14.981 2.600 2.799 1.00 0.00 C ATOM 860 C PRO A 58 13.915 2.781 1.724 1.00 0.00 C ATOM 861 O PRO A 58 14.132 2.451 0.558 1.00 0.00 O ATOM 862 CB PRO A 58 16.375 2.553 2.167 1.00 0.00 C ATOM 863 CG PRO A 58 16.662 1.101 1.993 1.00 0.00 C ATOM 864 CD PRO A 58 15.986 0.405 3.142 1.00 0.00 C ATOM 0 HA PRO A 58 14.837 3.435 3.485 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.395 3.078 1.212 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.117 3.029 2.808 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.280 0.739 1.038 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.735 0.912 1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.629 -0.585 2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.664 0.270 3.985 1.00 0.00 H new ATOM 872 N THR A 59 12.762 3.308 2.124 1.00 0.00 N ATOM 873 CA THR A 59 11.661 3.532 1.195 1.00 0.00 C ATOM 874 C THR A 59 12.009 4.617 0.182 1.00 0.00 C ATOM 875 O THR A 59 11.651 4.522 -0.991 1.00 0.00 O ATOM 876 CB THR A 59 10.373 3.934 1.937 1.00 0.00 C ATOM 877 OG1 THR A 59 10.577 5.161 2.645 1.00 0.00 O ATOM 878 CG2 THR A 59 9.948 2.845 2.911 1.00 0.00 C ATOM 0 H THR A 59 12.566 3.588 3.085 1.00 0.00 H new ATOM 0 HA THR A 59 11.492 2.591 0.672 1.00 0.00 H new ATOM 0 HB THR A 59 9.582 4.069 1.199 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.752 5.410 3.113 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.036 3.151 3.424 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.764 1.920 2.365 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.739 2.683 3.643 1.00 0.00 H new ATOM 886 N GLY A 60 12.712 5.648 0.642 1.00 0.00 N ATOM 887 CA GLY A 60 13.097 6.735 -0.238 1.00 0.00 C ATOM 888 C GLY A 60 11.919 7.599 -0.642 1.00 0.00 C ATOM 889 O GLY A 60 11.882 8.133 -1.750 1.00 0.00 O ATOM 0 H GLY A 60 13.021 5.749 1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.844 7.354 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.567 6.325 -1.132 1.00 0.00 H new ATOM 893 N GLY A 61 10.951 7.737 0.259 1.00 0.00 N ATOM 894 CA GLY A 61 9.778 8.541 -0.029 1.00 0.00 C ATOM 895 C GLY A 61 8.936 7.960 -1.147 1.00 0.00 C ATOM 896 O GLY A 61 8.358 8.698 -1.946 1.00 0.00 O ATOM 0 H GLY A 61 10.958 7.306 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.170 8.627 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.090 9.549 -0.300 1.00 0.00 H new ATOM 900 N ILE A 62 8.869 6.635 -1.207 1.00 0.00 N ATOM 901 CA ILE A 62 8.092 5.955 -2.237 1.00 0.00 C ATOM 902 C ILE A 62 6.856 5.288 -1.643 1.00 0.00 C ATOM 903 O ILE A 62 6.949 4.539 -0.671 1.00 0.00 O ATOM 904 CB ILE A 62 8.934 4.893 -2.968 1.00 0.00 C ATOM 905 CG1 ILE A 62 10.116 5.551 -3.683 1.00 0.00 C ATOM 906 CG2 ILE A 62 8.072 4.122 -3.957 1.00 0.00 C ATOM 907 CD1 ILE A 62 11.107 4.560 -4.252 1.00 0.00 C ATOM 0 H ILE A 62 9.343 6.010 -0.555 1.00 0.00 H new ATOM 0 HA ILE A 62 7.782 6.716 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 62 9.325 4.190 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.738 6.178 -4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.633 6.208 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.681 3.375 -4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.261 3.626 -3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.655 4.812 -4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.918 5.098 -4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 62 11.514 3.949 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.605 3.918 -4.976 1.00 0.00 H new ATOM 919 N PHE A 63 5.699 5.563 -2.236 1.00 0.00 N ATOM 920 CA PHE A 63 4.444 4.989 -1.766 1.00 0.00 C ATOM 921 C PHE A 63 3.436 4.878 -2.907 1.00 0.00 C ATOM 922 O PHE A 63 3.104 5.870 -3.554 1.00 0.00 O ATOM 923 CB PHE A 63 3.860 5.840 -0.636 1.00 0.00 C ATOM 924 CG PHE A 63 4.814 6.057 0.504 1.00 0.00 C ATOM 925 CD1 PHE A 63 4.969 5.094 1.488 1.00 0.00 C ATOM 926 CD2 PHE A 63 5.555 7.224 0.592 1.00 0.00 C ATOM 927 CE1 PHE A 63 5.845 5.292 2.539 1.00 0.00 C ATOM 928 CE2 PHE A 63 6.433 7.427 1.640 1.00 0.00 C ATOM 929 CZ PHE A 63 6.579 6.459 2.614 1.00 0.00 C ATOM 0 H PHE A 63 5.605 6.180 -3.043 1.00 0.00 H new ATOM 0 HA PHE A 63 4.651 3.988 -1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.560 6.808 -1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.958 5.359 -0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.399 4.178 1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.445 7.984 -0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.955 4.534 3.301 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.004 8.342 1.697 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.266 6.614 3.433 1.00 0.00 H new ATOM 939 N ASN A 64 2.955 3.663 -3.147 1.00 0.00 N ATOM 940 CA ASN A 64 1.986 3.421 -4.210 1.00 0.00 C ATOM 941 C ASN A 64 0.609 3.110 -3.631 1.00 0.00 C ATOM 942 O ASN A 64 0.478 2.494 -2.573 1.00 0.00 O ATOM 943 CB ASN A 64 2.451 2.265 -5.099 1.00 0.00 C ATOM 944 CG ASN A 64 3.956 2.242 -5.278 1.00 0.00 C ATOM 945 OD1 ASN A 64 4.644 1.373 -4.742 1.00 0.00 O ATOM 946 ND2 ASN A 64 4.476 3.201 -6.036 1.00 0.00 N ATOM 0 H ASN A 64 3.220 2.831 -2.620 1.00 0.00 H new ATOM 0 HA ASN A 64 1.911 4.326 -4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.125 1.321 -4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.973 2.346 -6.075 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.483 3.237 -6.193 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.868 3.901 -6.461 1.00 0.00 H new ATOM 953 N PRO A 65 -0.443 3.546 -4.340 1.00 0.00 N ATOM 954 CA PRO A 65 -1.829 3.326 -3.917 1.00 0.00 C ATOM 955 C PRO A 65 -2.241 1.861 -4.021 1.00 0.00 C ATOM 956 O PRO A 65 -2.314 1.304 -5.116 1.00 0.00 O ATOM 957 CB PRO A 65 -2.639 4.180 -4.895 1.00 0.00 C ATOM 958 CG PRO A 65 -1.779 4.285 -6.107 1.00 0.00 C ATOM 959 CD PRO A 65 -0.360 4.287 -5.610 1.00 0.00 C ATOM 0 HA PRO A 65 -1.983 3.591 -2.871 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.597 3.714 -5.128 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.856 5.163 -4.477 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.954 3.448 -6.783 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.999 5.196 -6.663 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.314 3.801 -6.316 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.012 5.301 -5.460 1.00 0.00 H new ATOM 967 N ALA A 66 -2.508 1.244 -2.875 1.00 0.00 N ATOM 968 CA ALA A 66 -2.915 -0.156 -2.838 1.00 0.00 C ATOM 969 C ALA A 66 -4.433 -0.284 -2.782 1.00 0.00 C ATOM 970 O ALA A 66 -4.969 -1.141 -2.078 1.00 0.00 O ATOM 971 CB ALA A 66 -2.280 -0.859 -1.648 1.00 0.00 C ATOM 0 H ALA A 66 -2.450 1.691 -1.960 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.569 -0.634 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.593 -1.903 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.194 -0.806 -1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.597 -0.372 -0.726 1.00 0.00 H new ATOM 977 N LYS A 67 -5.123 0.572 -3.528 1.00 0.00 N ATOM 978 CA LYS A 67 -6.581 0.555 -3.564 1.00 0.00 C ATOM 979 C LYS A 67 -7.102 -0.857 -3.810 1.00 0.00 C ATOM 980 O LYS A 67 -8.097 -1.273 -3.217 1.00 0.00 O ATOM 981 CB LYS A 67 -7.095 1.497 -4.655 1.00 0.00 C ATOM 982 CG LYS A 67 -6.744 2.955 -4.415 1.00 0.00 C ATOM 983 CD LYS A 67 -7.580 3.553 -3.295 1.00 0.00 C ATOM 984 CE LYS A 67 -9.019 3.776 -3.733 1.00 0.00 C ATOM 985 NZ LYS A 67 -9.671 4.868 -2.958 1.00 0.00 N ATOM 0 H LYS A 67 -4.696 1.287 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.948 0.895 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.683 1.186 -5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.178 1.400 -4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.686 3.039 -4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.902 3.524 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.560 2.889 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.143 4.501 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.042 4.021 -4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.585 2.853 -3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.650 4.989 -3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.672 4.623 -1.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.146 5.755 -3.099 1.00 0.00 H new ATOM 999 N GLU A 68 -6.422 -1.590 -4.687 1.00 0.00 N ATOM 1000 CA GLU A 68 -6.817 -2.956 -5.009 1.00 0.00 C ATOM 1001 C GLU A 68 -6.822 -3.831 -3.759 1.00 0.00 C ATOM 1002 O GLU A 68 -7.843 -4.419 -3.402 1.00 0.00 O ATOM 1003 CB GLU A 68 -5.874 -3.550 -6.057 1.00 0.00 C ATOM 1004 CG GLU A 68 -5.813 -2.747 -7.346 1.00 0.00 C ATOM 1005 CD GLU A 68 -4.836 -1.590 -7.266 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -3.646 -1.837 -6.981 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -5.262 -0.437 -7.488 1.00 0.00 O ATOM 0 H GLU A 68 -5.596 -1.261 -5.186 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.828 -2.928 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.872 -3.619 -5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.194 -4.566 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.525 -3.405 -8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.807 -2.364 -7.578 1.00 0.00 H new ATOM 1014 N LEU A 69 -5.673 -3.912 -3.097 1.00 0.00 N ATOM 1015 CA LEU A 69 -5.542 -4.715 -1.886 1.00 0.00 C ATOM 1016 C LEU A 69 -6.812 -4.641 -1.044 1.00 0.00 C ATOM 1017 O LEU A 69 -7.361 -5.665 -0.640 1.00 0.00 O ATOM 1018 CB LEU A 69 -4.342 -4.242 -1.064 1.00 0.00 C ATOM 1019 CG LEU A 69 -4.318 -4.680 0.401 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -3.803 -6.106 0.523 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -3.464 -3.730 1.228 1.00 0.00 C ATOM 0 H LEU A 69 -4.818 -3.431 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.385 -5.752 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.433 -4.602 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.310 -3.153 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.337 -4.649 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.793 -6.401 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.455 -6.777 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.792 -6.163 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.458 -4.057 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.444 -3.728 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.877 -2.723 1.167 1.00 0.00 H new ATOM 1033 N MET A 70 -7.274 -3.422 -0.786 1.00 0.00 N ATOM 1034 CA MET A 70 -8.481 -3.214 0.006 1.00 0.00 C ATOM 1035 C MET A 70 -9.684 -3.880 -0.654 1.00 0.00 C ATOM 1036 O MET A 70 -10.454 -4.582 0.002 1.00 0.00 O ATOM 1037 CB MET A 70 -8.747 -1.719 0.187 1.00 0.00 C ATOM 1038 CG MET A 70 -7.674 -1.004 0.993 1.00 0.00 C ATOM 1039 SD MET A 70 -7.571 -1.599 2.692 1.00 0.00 S ATOM 1040 CE MET A 70 -6.039 -2.524 2.635 1.00 0.00 C ATOM 0 H MET A 70 -6.831 -2.564 -1.114 1.00 0.00 H new ATOM 0 HA MET A 70 -8.327 -3.669 0.985 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.825 -1.251 -0.794 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.710 -1.587 0.681 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.708 -1.139 0.506 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.882 0.066 0.999 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.773 -2.850 3.641 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.164 -3.395 1.992 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.246 -1.890 2.238 1.00 0.00 H new ATOM 1050 N ALA A 71 -9.841 -3.655 -1.954 1.00 0.00 N ATOM 1051 CA ALA A 71 -10.949 -4.235 -2.702 1.00 0.00 C ATOM 1052 C ALA A 71 -11.129 -5.711 -2.362 1.00 0.00 C ATOM 1053 O ALA A 71 -12.252 -6.210 -2.292 1.00 0.00 O ATOM 1054 CB ALA A 71 -10.727 -4.059 -4.197 1.00 0.00 C ATOM 0 H ALA A 71 -9.214 -3.075 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.861 -3.710 -2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.563 -4.497 -4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.657 -2.997 -4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.802 -4.557 -4.489 1.00 0.00 H new ATOM 1060 N LYS A 72 -10.015 -6.404 -2.151 1.00 0.00 N ATOM 1061 CA LYS A 72 -10.049 -7.823 -1.818 1.00 0.00 C ATOM 1062 C LYS A 72 -10.660 -8.043 -0.438 1.00 0.00 C ATOM 1063 O LYS A 72 -11.545 -8.883 -0.266 1.00 0.00 O ATOM 1064 CB LYS A 72 -8.637 -8.412 -1.862 1.00 0.00 C ATOM 1065 CG LYS A 72 -7.995 -8.350 -3.237 1.00 0.00 C ATOM 1066 CD LYS A 72 -6.788 -9.269 -3.331 1.00 0.00 C ATOM 1067 CE LYS A 72 -7.187 -10.668 -3.774 1.00 0.00 C ATOM 1068 NZ LYS A 72 -7.711 -11.481 -2.642 1.00 0.00 N ATOM 0 H LYS A 72 -9.077 -6.006 -2.205 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.671 -8.329 -2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.007 -7.877 -1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.675 -9.451 -1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.727 -8.631 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.691 -7.326 -3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.068 -8.854 -4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.292 -9.321 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.946 -10.599 -4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.324 -11.170 -4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.514 -12.487 -2.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.247 -11.186 -1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.738 -11.338 -2.558 1.00 0.00 H new ATOM 1082 N LEU A 73 -10.184 -7.284 0.543 1.00 0.00 N ATOM 1083 CA LEU A 73 -10.685 -7.395 1.909 1.00 0.00 C ATOM 1084 C LEU A 73 -12.190 -7.153 1.958 1.00 0.00 C ATOM 1085 O LEU A 73 -12.937 -7.945 2.532 1.00 0.00 O ATOM 1086 CB LEU A 73 -9.966 -6.397 2.819 1.00 0.00 C ATOM 1087 CG LEU A 73 -8.489 -6.681 3.091 1.00 0.00 C ATOM 1088 CD1 LEU A 73 -7.752 -5.395 3.433 1.00 0.00 C ATOM 1089 CD2 LEU A 73 -8.339 -7.698 4.213 1.00 0.00 C ATOM 0 H LEU A 73 -9.452 -6.585 0.418 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.487 -8.407 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.049 -5.405 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.491 -6.363 3.774 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.047 -7.099 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.702 -5.617 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.830 -4.698 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.195 -4.947 4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.281 -7.888 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.797 -7.307 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.831 -8.628 3.929 1.00 0.00 H new ATOM 1101 N GLN A 74 -12.628 -6.054 1.351 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.044 -5.709 1.325 1.00 0.00 C ATOM 1103 C GLN A 74 -14.313 -4.587 0.328 1.00 0.00 C ATOM 1104 O GLN A 74 -13.676 -3.534 0.375 1.00 0.00 O ATOM 1105 CB GLN A 74 -14.515 -5.293 2.719 1.00 0.00 C ATOM 1106 CG GLN A 74 -15.983 -4.901 2.774 1.00 0.00 C ATOM 1107 CD GLN A 74 -16.909 -6.065 2.486 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -16.460 -7.186 2.245 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -18.212 -5.806 2.510 1.00 0.00 N ATOM 0 H GLN A 74 -12.023 -5.388 0.871 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.601 -6.591 1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.341 -6.116 3.413 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.910 -4.454 3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.210 -4.496 3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.170 -4.106 2.052 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -18.541 -4.862 2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -18.884 -6.551 2.324 1.00 0.00 H new ATOM 1118 N LYS A 75 -15.260 -4.818 -0.575 1.00 0.00 N ATOM 1119 CA LYS A 75 -15.615 -3.827 -1.583 1.00 0.00 C ATOM 1120 C LYS A 75 -16.006 -2.504 -0.932 1.00 0.00 C ATOM 1121 O LYS A 75 -17.074 -2.389 -0.331 1.00 0.00 O ATOM 1122 CB LYS A 75 -16.766 -4.341 -2.451 1.00 0.00 C ATOM 1123 CG LYS A 75 -16.309 -5.153 -3.649 1.00 0.00 C ATOM 1124 CD LYS A 75 -15.731 -6.494 -3.227 1.00 0.00 C ATOM 1125 CE LYS A 75 -14.810 -7.065 -4.294 1.00 0.00 C ATOM 1126 NZ LYS A 75 -13.795 -7.988 -3.714 1.00 0.00 N ATOM 0 H LYS A 75 -15.796 -5.684 -0.629 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.742 -3.657 -2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -17.426 -4.954 -1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.353 -3.492 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.151 -5.314 -4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.559 -4.591 -4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.180 -6.376 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.542 -7.196 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.402 -7.598 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.305 -6.250 -4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.124 -8.276 -4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.281 -7.503 -2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.270 -8.830 -3.331 1.00 0.00 H new ATOM 1140 N SER A 76 -15.136 -1.507 -1.057 1.00 0.00 N ATOM 1141 CA SER A 76 -15.390 -0.193 -0.479 1.00 0.00 C ATOM 1142 C SER A 76 -16.756 0.334 -0.908 1.00 0.00 C ATOM 1143 O SER A 76 -16.990 0.595 -2.087 1.00 0.00 O ATOM 1144 CB SER A 76 -14.296 0.791 -0.896 1.00 0.00 C ATOM 1145 OG SER A 76 -13.101 0.566 -0.168 1.00 0.00 O ATOM 0 H SER A 76 -14.249 -1.584 -1.554 1.00 0.00 H new ATOM 0 HA SER A 76 -15.383 -0.293 0.606 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.099 0.690 -1.963 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.639 1.812 -0.731 1.00 0.00 H new ATOM 0 HG SER A 76 -12.418 1.207 -0.455 1.00 0.00 H new ATOM 1151 N GLY A 77 -17.654 0.489 0.060 1.00 0.00 N ATOM 1152 CA GLY A 77 -18.986 0.984 -0.236 1.00 0.00 C ATOM 1153 C GLY A 77 -18.963 2.212 -1.125 1.00 0.00 C ATOM 1154 O GLY A 77 -17.995 2.972 -1.146 1.00 0.00 O ATOM 0 H GLY A 77 -17.483 0.281 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.563 0.198 -0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -19.497 1.224 0.697 1.00 0.00 H new ATOM 1158 N PRO A 78 -20.050 2.418 -1.883 1.00 0.00 N ATOM 1159 CA PRO A 78 -20.175 3.560 -2.794 1.00 0.00 C ATOM 1160 C PRO A 78 -20.323 4.882 -2.049 1.00 0.00 C ATOM 1161 O PRO A 78 -20.580 4.902 -0.845 1.00 0.00 O ATOM 1162 CB PRO A 78 -21.449 3.246 -3.584 1.00 0.00 C ATOM 1163 CG PRO A 78 -22.243 2.362 -2.686 1.00 0.00 C ATOM 1164 CD PRO A 78 -21.242 1.553 -1.909 1.00 0.00 C ATOM 0 HA PRO A 78 -19.289 3.683 -3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -21.997 4.156 -3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -21.218 2.749 -4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -22.873 2.949 -2.018 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -22.905 1.715 -3.261 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -21.599 1.331 -0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -21.035 0.598 -2.392 1.00 0.00 H new ATOM 1172 N SER A 79 -20.161 5.985 -2.772 1.00 0.00 N ATOM 1173 CA SER A 79 -20.273 7.312 -2.178 1.00 0.00 C ATOM 1174 C SER A 79 -21.703 7.835 -2.282 1.00 0.00 C ATOM 1175 O SER A 79 -22.336 8.146 -1.273 1.00 0.00 O ATOM 1176 CB SER A 79 -19.312 8.285 -2.865 1.00 0.00 C ATOM 1177 OG SER A 79 -19.558 9.619 -2.457 1.00 0.00 O ATOM 0 H SER A 79 -19.952 5.986 -3.770 1.00 0.00 H new ATOM 0 HA SER A 79 -20.008 7.234 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.283 8.013 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.422 8.206 -3.947 1.00 0.00 H new ATOM 0 HG SER A 79 -18.930 10.220 -2.909 1.00 0.00 H new ATOM 1183 N SER A 80 -22.205 7.928 -3.509 1.00 0.00 N ATOM 1184 CA SER A 80 -23.558 8.417 -3.746 1.00 0.00 C ATOM 1185 C SER A 80 -23.954 8.230 -5.208 1.00 0.00 C ATOM 1186 O SER A 80 -23.143 8.424 -6.112 1.00 0.00 O ATOM 1187 CB SER A 80 -23.665 9.893 -3.362 1.00 0.00 C ATOM 1188 OG SER A 80 -24.909 10.437 -3.768 1.00 0.00 O ATOM 0 H SER A 80 -21.695 7.671 -4.354 1.00 0.00 H new ATOM 0 HA SER A 80 -24.241 7.838 -3.125 1.00 0.00 H new ATOM 0 HB2 SER A 80 -23.552 10.000 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 80 -22.852 10.452 -3.825 1.00 0.00 H new ATOM 0 HG SER A 80 -24.953 11.381 -3.509 1.00 0.00 H new ATOM 1194 N GLY A 81 -25.209 7.852 -5.431 1.00 0.00 N ATOM 1195 CA GLY A 81 -25.693 7.645 -6.783 1.00 0.00 C ATOM 1196 C GLY A 81 -26.390 6.309 -6.952 1.00 0.00 C ATOM 1197 O GLY A 81 -26.699 5.933 -8.081 1.00 0.00 O ATOM 0 H GLY A 81 -25.899 7.685 -4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -26.383 8.447 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -24.856 7.705 -7.478 1.00 0.00 H new TER 1201 GLY A 81 HETATM 1202 ZN ZN A 201 -2.054 3.488 10.776 1.00 0.00 ZN HETATM 1203 ZN ZN A 401 8.285 -2.466 5.112 1.00 0.00 ZN