USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 486 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 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 19 CYS SG : rot 180:sc= 0.155 USER MOD Set 1.2: A 35 SER OG : rot -162:sc= 0.163 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=-0.00571 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= -0.0645 (180deg=-0.386) USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= -0.0511 (180deg=-0.337) USER MOD Single : A 45 SER OG : rot -57:sc= 0.0131 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 62 ASN : amide:sc= -0.332 K(o=-0.33,f=-4.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0624 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.911 -39.830 6.251 1.00 0.00 N ATOM 2 CA GLY A 1 -36.269 -38.665 7.038 1.00 0.00 C ATOM 3 C GLY A 1 -35.074 -38.050 7.739 1.00 0.00 C ATOM 4 O GLY A 1 -34.596 -38.577 8.744 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.762 -40.214 5.792 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.218 -39.559 5.524 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.496 -40.554 6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.729 -37.920 6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.016 -38.947 7.780 1.00 0.00 H new ATOM 8 N SER A 2 -34.590 -36.932 7.208 1.00 0.00 N ATOM 9 CA SER A 2 -33.440 -36.247 7.787 1.00 0.00 C ATOM 10 C SER A 2 -33.871 -35.323 8.921 1.00 0.00 C ATOM 11 O SER A 2 -35.063 -35.162 9.187 1.00 0.00 O ATOM 12 CB SER A 2 -32.704 -35.444 6.712 1.00 0.00 C ATOM 13 OG SER A 2 -31.358 -35.205 7.086 1.00 0.00 O ATOM 0 H SER A 2 -34.976 -36.481 6.378 1.00 0.00 H new ATOM 0 HA SER A 2 -32.766 -37.001 8.193 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.731 -35.986 5.767 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.214 -34.494 6.550 1.00 0.00 H new ATOM 0 HG SER A 2 -30.909 -34.692 6.382 1.00 0.00 H new ATOM 19 N SER A 3 -32.894 -34.717 9.588 1.00 0.00 N ATOM 20 CA SER A 3 -33.171 -33.812 10.697 1.00 0.00 C ATOM 21 C SER A 3 -32.340 -32.538 10.579 1.00 0.00 C ATOM 22 O SER A 3 -31.124 -32.591 10.397 1.00 0.00 O ATOM 23 CB SER A 3 -32.882 -34.502 12.031 1.00 0.00 C ATOM 24 OG SER A 3 -31.494 -34.500 12.316 1.00 0.00 O ATOM 0 H SER A 3 -31.903 -34.837 9.379 1.00 0.00 H new ATOM 0 HA SER A 3 -34.226 -33.541 10.658 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.421 -33.995 12.831 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.249 -35.528 12.000 1.00 0.00 H new ATOM 0 HG SER A 3 -31.336 -34.945 13.175 1.00 0.00 H new ATOM 30 N GLY A 4 -33.005 -31.392 10.685 1.00 0.00 N ATOM 31 CA GLY A 4 -32.313 -30.120 10.589 1.00 0.00 C ATOM 32 C GLY A 4 -31.737 -29.877 9.208 1.00 0.00 C ATOM 33 O GLY A 4 -31.043 -30.733 8.658 1.00 0.00 O ATOM 0 H GLY A 4 -34.011 -31.322 10.836 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.004 -29.314 10.838 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.510 -30.090 11.325 1.00 0.00 H new ATOM 37 N SER A 5 -32.025 -28.708 8.645 1.00 0.00 N ATOM 38 CA SER A 5 -31.536 -28.358 7.317 1.00 0.00 C ATOM 39 C SER A 5 -30.878 -26.981 7.327 1.00 0.00 C ATOM 40 O SER A 5 -31.322 -26.074 8.031 1.00 0.00 O ATOM 41 CB SER A 5 -32.682 -28.380 6.305 1.00 0.00 C ATOM 42 OG SER A 5 -32.890 -29.688 5.799 1.00 0.00 O ATOM 0 H SER A 5 -32.595 -27.987 9.088 1.00 0.00 H new ATOM 0 HA SER A 5 -30.790 -29.097 7.025 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.596 -28.020 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.459 -27.700 5.483 1.00 0.00 H new ATOM 0 HG SER A 5 -33.629 -29.676 5.155 1.00 0.00 H new ATOM 48 N SER A 6 -29.817 -26.834 6.540 1.00 0.00 N ATOM 49 CA SER A 6 -29.094 -25.569 6.460 1.00 0.00 C ATOM 50 C SER A 6 -28.791 -25.208 5.009 1.00 0.00 C ATOM 51 O SER A 6 -28.454 -26.071 4.200 1.00 0.00 O ATOM 52 CB SER A 6 -27.792 -25.650 7.260 1.00 0.00 C ATOM 53 OG SER A 6 -26.963 -26.695 6.781 1.00 0.00 O ATOM 0 H SER A 6 -29.439 -27.574 5.949 1.00 0.00 H new ATOM 0 HA SER A 6 -29.726 -24.790 6.886 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.261 -24.701 7.193 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.018 -25.815 8.313 1.00 0.00 H new ATOM 0 HG SER A 6 -26.137 -26.725 7.307 1.00 0.00 H new ATOM 59 N GLY A 7 -28.914 -23.924 4.688 1.00 0.00 N ATOM 60 CA GLY A 7 -28.650 -23.469 3.335 1.00 0.00 C ATOM 61 C GLY A 7 -28.249 -22.008 3.283 1.00 0.00 C ATOM 62 O GLY A 7 -28.984 -21.175 2.752 1.00 0.00 O ATOM 0 H GLY A 7 -29.192 -23.191 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.857 -24.076 2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.540 -23.620 2.724 1.00 0.00 H new ATOM 66 N ARG A 8 -27.081 -21.696 3.835 1.00 0.00 N ATOM 67 CA ARG A 8 -26.586 -20.325 3.851 1.00 0.00 C ATOM 68 C ARG A 8 -25.812 -20.011 2.574 1.00 0.00 C ATOM 69 O ARG A 8 -24.972 -20.797 2.135 1.00 0.00 O ATOM 70 CB ARG A 8 -25.690 -20.098 5.071 1.00 0.00 C ATOM 71 CG ARG A 8 -25.142 -18.684 5.169 1.00 0.00 C ATOM 72 CD ARG A 8 -26.195 -17.713 5.679 1.00 0.00 C ATOM 73 NE ARG A 8 -26.214 -17.641 7.137 1.00 0.00 N ATOM 74 CZ ARG A 8 -25.203 -17.178 7.864 1.00 0.00 C ATOM 75 NH1 ARG A 8 -24.099 -16.747 7.270 1.00 0.00 N ATOM 76 NH2 ARG A 8 -25.295 -17.145 9.187 1.00 0.00 N ATOM 0 H ARG A 8 -26.460 -22.374 4.277 1.00 0.00 H new ATOM 0 HA ARG A 8 -27.445 -19.656 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -26.257 -20.322 5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.857 -20.800 5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.280 -18.672 5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.791 -18.360 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.002 -16.721 5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -27.177 -18.021 5.319 1.00 0.00 H new ATOM 0 HE ARG A 8 -27.050 -17.964 7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -24.025 -16.770 6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -23.324 -16.392 7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -26.143 -17.475 9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -24.518 -16.789 9.744 1.00 0.00 H new ATOM 90 N VAL A 9 -26.103 -18.858 1.980 1.00 0.00 N ATOM 91 CA VAL A 9 -25.435 -18.440 0.754 1.00 0.00 C ATOM 92 C VAL A 9 -24.162 -17.660 1.060 1.00 0.00 C ATOM 93 O VAL A 9 -24.142 -16.804 1.944 1.00 0.00 O ATOM 94 CB VAL A 9 -26.359 -17.570 -0.120 1.00 0.00 C ATOM 95 CG1 VAL A 9 -25.651 -17.160 -1.402 1.00 0.00 C ATOM 96 CG2 VAL A 9 -27.652 -18.311 -0.428 1.00 0.00 C ATOM 0 H VAL A 9 -26.797 -18.197 2.328 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.179 -19.348 0.208 1.00 0.00 H new ATOM 0 HB VAL A 9 -26.608 -16.665 0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.319 -16.546 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -24.756 -16.588 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -25.370 -18.051 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -28.293 -17.682 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -27.424 -19.233 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -28.166 -18.549 0.503 1.00 0.00 H new ATOM 106 N LYS A 10 -23.099 -17.961 0.322 1.00 0.00 N ATOM 107 CA LYS A 10 -21.819 -17.287 0.511 1.00 0.00 C ATOM 108 C LYS A 10 -21.973 -15.776 0.368 1.00 0.00 C ATOM 109 O LYS A 10 -22.316 -15.278 -0.704 1.00 0.00 O ATOM 110 CB LYS A 10 -20.792 -17.805 -0.498 1.00 0.00 C ATOM 111 CG LYS A 10 -20.108 -19.090 -0.066 1.00 0.00 C ATOM 112 CD LYS A 10 -20.878 -20.315 -0.530 1.00 0.00 C ATOM 113 CE LYS A 10 -20.582 -20.640 -1.987 1.00 0.00 C ATOM 114 NZ LYS A 10 -21.270 -21.885 -2.428 1.00 0.00 N ATOM 0 H LYS A 10 -23.098 -18.668 -0.413 1.00 0.00 H new ATOM 0 HA LYS A 10 -21.468 -17.504 1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -21.287 -17.971 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -20.035 -17.037 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -19.097 -19.119 -0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -20.016 -19.107 1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -20.616 -21.169 0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -21.947 -20.144 -0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -20.898 -19.808 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.506 -20.752 -2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -21.043 -22.072 -3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -20.950 -22.684 -1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -22.298 -21.769 -2.322 1.00 0.00 H new ATOM 128 N GLN A 11 -21.716 -15.054 1.453 1.00 0.00 N ATOM 129 CA GLN A 11 -21.826 -13.600 1.446 1.00 0.00 C ATOM 130 C GLN A 11 -20.447 -12.950 1.382 1.00 0.00 C ATOM 131 O GLN A 11 -20.177 -11.972 2.080 1.00 0.00 O ATOM 132 CB GLN A 11 -22.573 -13.118 2.691 1.00 0.00 C ATOM 133 CG GLN A 11 -23.245 -11.766 2.511 1.00 0.00 C ATOM 134 CD GLN A 11 -24.568 -11.866 1.777 1.00 0.00 C ATOM 135 OE1 GLN A 11 -25.513 -12.491 2.259 1.00 0.00 O ATOM 136 NE2 GLN A 11 -24.643 -11.248 0.604 1.00 0.00 N ATOM 0 H GLN A 11 -21.430 -15.451 2.348 1.00 0.00 H new ATOM 0 HA GLN A 11 -22.387 -13.307 0.558 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -23.328 -13.857 2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -21.873 -13.059 3.524 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -23.409 -11.313 3.489 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -22.577 -11.103 1.961 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -23.835 -10.741 0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -25.508 -11.280 0.065 1.00 0.00 H new ATOM 145 N LEU A 12 -19.578 -13.501 0.542 1.00 0.00 N ATOM 146 CA LEU A 12 -18.226 -12.975 0.386 1.00 0.00 C ATOM 147 C LEU A 12 -18.253 -11.571 -0.209 1.00 0.00 C ATOM 148 O LEU A 12 -18.611 -11.384 -1.372 1.00 0.00 O ATOM 149 CB LEU A 12 -17.396 -13.903 -0.503 1.00 0.00 C ATOM 150 CG LEU A 12 -16.668 -15.042 0.211 1.00 0.00 C ATOM 151 CD1 LEU A 12 -16.467 -16.220 -0.730 1.00 0.00 C ATOM 152 CD2 LEU A 12 -15.332 -14.561 0.758 1.00 0.00 C ATOM 0 H LEU A 12 -19.785 -14.312 -0.042 1.00 0.00 H new ATOM 0 HA LEU A 12 -17.767 -12.922 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -18.054 -14.335 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -16.657 -13.301 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 12 -17.283 -15.372 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -15.947 -17.021 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.436 -16.581 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.873 -15.904 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.828 -15.385 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.710 -14.203 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -15.500 -13.750 1.466 1.00 0.00 H new ATOM 164 N THR A 13 -17.869 -10.585 0.597 1.00 0.00 N ATOM 165 CA THR A 13 -17.848 -9.198 0.150 1.00 0.00 C ATOM 166 C THR A 13 -16.418 -8.691 -0.003 1.00 0.00 C ATOM 167 O THR A 13 -16.064 -8.103 -1.025 1.00 0.00 O ATOM 168 CB THR A 13 -18.604 -8.281 1.130 1.00 0.00 C ATOM 169 OG1 THR A 13 -18.070 -8.429 2.450 1.00 0.00 O ATOM 170 CG2 THR A 13 -20.090 -8.606 1.139 1.00 0.00 C ATOM 0 H THR A 13 -17.569 -10.722 1.562 1.00 0.00 H new ATOM 0 HA THR A 13 -18.346 -9.170 -0.819 1.00 0.00 H new ATOM 0 HB THR A 13 -18.476 -7.250 0.800 1.00 0.00 H new ATOM 0 HG1 THR A 13 -18.555 -7.842 3.067 1.00 0.00 H new ATOM 0 HG21 THR A 13 -20.603 -7.946 1.838 1.00 0.00 H new ATOM 0 HG22 THR A 13 -20.500 -8.464 0.139 1.00 0.00 H new ATOM 0 HG23 THR A 13 -20.234 -9.642 1.446 1.00 0.00 H new ATOM 178 N ASP A 14 -15.601 -8.923 1.018 1.00 0.00 N ATOM 179 CA ASP A 14 -14.208 -8.492 0.997 1.00 0.00 C ATOM 180 C ASP A 14 -13.277 -9.673 0.743 1.00 0.00 C ATOM 181 O ASP A 14 -13.356 -10.694 1.425 1.00 0.00 O ATOM 182 CB ASP A 14 -13.842 -7.812 2.317 1.00 0.00 C ATOM 183 CG ASP A 14 -14.484 -8.487 3.513 1.00 0.00 C ATOM 184 OD1 ASP A 14 -14.440 -9.733 3.586 1.00 0.00 O ATOM 185 OD2 ASP A 14 -15.030 -7.769 4.377 1.00 0.00 O ATOM 0 H ASP A 14 -15.879 -9.407 1.871 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.087 -7.777 0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.759 -7.819 2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.152 -6.768 2.283 1.00 0.00 H new ATOM 190 N GLU A 15 -12.398 -9.526 -0.243 1.00 0.00 N ATOM 191 CA GLU A 15 -11.454 -10.583 -0.588 1.00 0.00 C ATOM 192 C GLU A 15 -10.224 -10.528 0.314 1.00 0.00 C ATOM 193 O GLU A 15 -9.871 -11.515 0.958 1.00 0.00 O ATOM 194 CB GLU A 15 -11.031 -10.462 -2.053 1.00 0.00 C ATOM 195 CG GLU A 15 -12.131 -10.825 -3.036 1.00 0.00 C ATOM 196 CD GLU A 15 -11.838 -10.343 -4.444 1.00 0.00 C ATOM 197 OE1 GLU A 15 -11.212 -11.102 -5.213 1.00 0.00 O ATOM 198 OE2 GLU A 15 -12.235 -9.207 -4.776 1.00 0.00 O ATOM 0 H GLU A 15 -12.320 -8.686 -0.817 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.951 -11.542 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.706 -9.439 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.171 -11.108 -2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.261 -11.907 -3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.073 -10.394 -2.697 1.00 0.00 H new ATOM 205 N GLU A 16 -9.577 -9.368 0.353 1.00 0.00 N ATOM 206 CA GLU A 16 -8.386 -9.185 1.175 1.00 0.00 C ATOM 207 C GLU A 16 -8.602 -8.084 2.208 1.00 0.00 C ATOM 208 O GLU A 16 -9.644 -7.430 2.225 1.00 0.00 O ATOM 209 CB GLU A 16 -7.180 -8.846 0.296 1.00 0.00 C ATOM 210 CG GLU A 16 -6.546 -10.060 -0.362 1.00 0.00 C ATOM 211 CD GLU A 16 -5.518 -10.735 0.525 1.00 0.00 C ATOM 212 OE1 GLU A 16 -5.802 -10.917 1.728 1.00 0.00 O ATOM 213 OE2 GLU A 16 -4.431 -11.080 0.018 1.00 0.00 O ATOM 0 H GLU A 16 -9.857 -8.541 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.192 -10.120 1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.491 -8.145 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.430 -8.339 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.325 -10.777 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.072 -9.756 -1.295 1.00 0.00 H new ATOM 220 N GLU A 17 -7.608 -7.885 3.069 1.00 0.00 N ATOM 221 CA GLU A 17 -7.690 -6.865 4.107 1.00 0.00 C ATOM 222 C GLU A 17 -6.317 -6.258 4.383 1.00 0.00 C ATOM 223 O GLU A 17 -5.308 -6.963 4.410 1.00 0.00 O ATOM 224 CB GLU A 17 -8.265 -7.459 5.394 1.00 0.00 C ATOM 225 CG GLU A 17 -9.616 -8.128 5.205 1.00 0.00 C ATOM 226 CD GLU A 17 -9.511 -9.465 4.498 1.00 0.00 C ATOM 227 OE1 GLU A 17 -8.687 -10.299 4.927 1.00 0.00 O ATOM 228 OE2 GLU A 17 -10.253 -9.677 3.516 1.00 0.00 O ATOM 0 H GLU A 17 -6.738 -8.417 3.068 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.353 -6.076 3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.561 -8.188 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.362 -6.668 6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.085 -8.272 6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.267 -7.468 4.632 1.00 0.00 H new ATOM 235 N CYS A 18 -6.287 -4.945 4.586 1.00 0.00 N ATOM 236 CA CYS A 18 -5.040 -4.241 4.859 1.00 0.00 C ATOM 237 C CYS A 18 -4.176 -5.026 5.842 1.00 0.00 C ATOM 238 O CYS A 18 -4.675 -5.876 6.581 1.00 0.00 O ATOM 239 CB CYS A 18 -5.329 -2.846 5.418 1.00 0.00 C ATOM 240 SG CYS A 18 -3.836 -1.870 5.788 1.00 0.00 S ATOM 0 H CYS A 18 -7.113 -4.347 4.567 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.494 -4.143 3.921 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.940 -2.298 4.701 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.920 -2.946 6.329 1.00 0.00 H new ATOM 245 N CYS A 19 -2.880 -4.735 5.846 1.00 0.00 N ATOM 246 CA CYS A 19 -1.947 -5.413 6.738 1.00 0.00 C ATOM 247 C CYS A 19 -1.586 -4.525 7.925 1.00 0.00 C ATOM 248 O CYS A 19 -1.512 -4.992 9.062 1.00 0.00 O ATOM 249 CB CYS A 19 -0.680 -5.809 5.978 1.00 0.00 C ATOM 250 SG CYS A 19 -0.893 -7.228 4.877 1.00 0.00 S ATOM 0 H CYS A 19 -2.452 -4.034 5.241 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.432 -6.313 7.116 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.339 -4.956 5.392 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.107 -6.036 6.698 1.00 0.00 H new ATOM 0 HG CYS A 19 0.232 -7.485 4.278 1.00 0.00 H new ATOM 256 N ILE A 20 -1.361 -3.245 7.652 1.00 0.00 N ATOM 257 CA ILE A 20 -1.007 -2.292 8.697 1.00 0.00 C ATOM 258 C ILE A 20 -2.097 -2.213 9.760 1.00 0.00 C ATOM 259 O ILE A 20 -1.901 -2.638 10.899 1.00 0.00 O ATOM 260 CB ILE A 20 -0.766 -0.885 8.118 1.00 0.00 C ATOM 261 CG1 ILE A 20 0.439 -0.897 7.176 1.00 0.00 C ATOM 262 CG2 ILE A 20 -0.558 0.120 9.241 1.00 0.00 C ATOM 263 CD1 ILE A 20 0.648 0.411 6.446 1.00 0.00 C ATOM 0 H ILE A 20 -1.417 -2.843 6.716 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.084 -2.651 9.152 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.646 -0.587 7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.336 -1.131 7.749 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.311 -1.695 6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.389 1.110 8.817 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.443 0.144 9.876 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.307 -0.173 9.836 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.519 0.330 5.796 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.233 0.637 5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.808 1.210 7.170 1.00 0.00 H new ATOM 275 N CYS A 21 -3.247 -1.666 9.381 1.00 0.00 N ATOM 276 CA CYS A 21 -4.371 -1.532 10.300 1.00 0.00 C ATOM 277 C CYS A 21 -5.255 -2.775 10.264 1.00 0.00 C ATOM 278 O CYS A 21 -5.835 -3.166 11.276 1.00 0.00 O ATOM 279 CB CYS A 21 -5.198 -0.294 9.949 1.00 0.00 C ATOM 280 SG CYS A 21 -6.083 -0.416 8.362 1.00 0.00 S ATOM 0 H CYS A 21 -3.425 -1.308 8.443 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.972 -1.421 11.308 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.922 -0.117 10.744 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.539 0.574 9.919 1.00 0.00 H new ATOM 285 N MET A 22 -5.352 -3.391 9.090 1.00 0.00 N ATOM 286 CA MET A 22 -6.164 -4.591 8.923 1.00 0.00 C ATOM 287 C MET A 22 -7.478 -4.469 9.688 1.00 0.00 C ATOM 288 O MET A 22 -7.949 -5.436 10.289 1.00 0.00 O ATOM 289 CB MET A 22 -5.395 -5.824 9.400 1.00 0.00 C ATOM 290 CG MET A 22 -4.944 -5.737 10.849 1.00 0.00 C ATOM 291 SD MET A 22 -4.026 -7.195 11.381 1.00 0.00 S ATOM 292 CE MET A 22 -3.220 -6.569 12.852 1.00 0.00 C ATOM 0 H MET A 22 -4.879 -3.080 8.242 1.00 0.00 H new ATOM 0 HA MET A 22 -6.390 -4.701 7.862 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.025 -6.705 9.277 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.521 -5.965 8.764 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.320 -4.853 10.979 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.816 -5.608 11.490 1.00 0.00 H new ATOM 0 HE1 MET A 22 -2.612 -7.357 13.297 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.583 -5.726 12.587 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.974 -6.243 13.569 1.00 0.00 H new ATOM 302 N ASP A 23 -8.064 -3.278 9.663 1.00 0.00 N ATOM 303 CA ASP A 23 -9.324 -3.030 10.354 1.00 0.00 C ATOM 304 C ASP A 23 -10.511 -3.290 9.430 1.00 0.00 C ATOM 305 O ASP A 23 -11.500 -3.902 9.830 1.00 0.00 O ATOM 306 CB ASP A 23 -9.372 -1.593 10.874 1.00 0.00 C ATOM 307 CG ASP A 23 -8.799 -1.464 12.272 1.00 0.00 C ATOM 308 OD1 ASP A 23 -7.557 -1.454 12.406 1.00 0.00 O ATOM 309 OD2 ASP A 23 -9.592 -1.372 13.232 1.00 0.00 O ATOM 0 H ASP A 23 -7.687 -2.468 9.171 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.387 -3.716 11.199 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.817 -0.945 10.196 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.405 -1.244 10.874 1.00 0.00 H new ATOM 314 N GLY A 24 -10.404 -2.818 8.191 1.00 0.00 N ATOM 315 CA GLY A 24 -11.475 -3.008 7.231 1.00 0.00 C ATOM 316 C GLY A 24 -11.121 -4.020 6.160 1.00 0.00 C ATOM 317 O GLY A 24 -11.146 -5.227 6.405 1.00 0.00 O ATOM 0 H GLY A 24 -9.595 -2.308 7.836 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.373 -3.336 7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.711 -2.053 6.761 1.00 0.00 H new ATOM 321 N ARG A 25 -10.791 -3.530 4.970 1.00 0.00 N ATOM 322 CA ARG A 25 -10.434 -4.401 3.857 1.00 0.00 C ATOM 323 C ARG A 25 -9.163 -3.911 3.169 1.00 0.00 C ATOM 324 O ARG A 25 -8.542 -2.943 3.608 1.00 0.00 O ATOM 325 CB ARG A 25 -11.580 -4.469 2.846 1.00 0.00 C ATOM 326 CG ARG A 25 -11.746 -3.199 2.028 1.00 0.00 C ATOM 327 CD ARG A 25 -12.844 -3.347 0.986 1.00 0.00 C ATOM 328 NE ARG A 25 -12.927 -2.182 0.109 1.00 0.00 N ATOM 329 CZ ARG A 25 -13.702 -2.128 -0.969 1.00 0.00 C ATOM 330 NH1 ARG A 25 -14.456 -3.167 -1.300 1.00 0.00 N ATOM 331 NH2 ARG A 25 -13.723 -1.033 -1.718 1.00 0.00 N ATOM 0 H ARG A 25 -10.763 -2.534 4.752 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.250 -5.399 4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.408 -5.307 2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -12.510 -4.674 3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.982 -2.366 2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.805 -2.957 1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.658 -4.239 0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -13.801 -3.493 1.486 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.359 -1.366 0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -14.442 -4.010 -0.727 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -15.050 -3.123 -2.128 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.144 -0.232 -1.466 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -14.318 -0.992 -2.545 1.00 0.00 H new ATOM 345 N ALA A 26 -8.782 -4.586 2.090 1.00 0.00 N ATOM 346 CA ALA A 26 -7.586 -4.218 1.341 1.00 0.00 C ATOM 347 C ALA A 26 -7.949 -3.493 0.050 1.00 0.00 C ATOM 348 O ALA A 26 -8.768 -3.973 -0.734 1.00 0.00 O ATOM 349 CB ALA A 26 -6.753 -5.454 1.038 1.00 0.00 C ATOM 0 H ALA A 26 -9.284 -5.391 1.715 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.997 -3.538 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.863 -5.165 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.455 -5.930 1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.343 -6.154 0.446 1.00 0.00 H new ATOM 355 N ASP A 27 -7.336 -2.334 -0.165 1.00 0.00 N ATOM 356 CA ASP A 27 -7.594 -1.543 -1.362 1.00 0.00 C ATOM 357 C ASP A 27 -6.797 -2.076 -2.549 1.00 0.00 C ATOM 358 O ASP A 27 -7.294 -2.117 -3.675 1.00 0.00 O ATOM 359 CB ASP A 27 -7.242 -0.075 -1.114 1.00 0.00 C ATOM 360 CG ASP A 27 -8.380 0.693 -0.471 1.00 0.00 C ATOM 361 OD1 ASP A 27 -8.768 0.341 0.663 1.00 0.00 O ATOM 362 OD2 ASP A 27 -8.883 1.646 -1.102 1.00 0.00 O ATOM 0 H ASP A 27 -6.657 -1.922 0.475 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.656 -1.620 -1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.362 -0.019 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.978 0.397 -2.060 1.00 0.00 H new ATOM 367 N LEU A 28 -5.560 -2.483 -2.289 1.00 0.00 N ATOM 368 CA LEU A 28 -4.693 -3.013 -3.336 1.00 0.00 C ATOM 369 C LEU A 28 -3.772 -4.096 -2.784 1.00 0.00 C ATOM 370 O LEU A 28 -3.648 -4.259 -1.569 1.00 0.00 O ATOM 371 CB LEU A 28 -3.863 -1.889 -3.957 1.00 0.00 C ATOM 372 CG LEU A 28 -3.021 -1.062 -2.985 1.00 0.00 C ATOM 373 CD1 LEU A 28 -1.713 -1.773 -2.672 1.00 0.00 C ATOM 374 CD2 LEU A 28 -2.752 0.323 -3.556 1.00 0.00 C ATOM 0 H LEU A 28 -5.134 -2.456 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.325 -3.457 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.198 -2.325 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.538 -1.216 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.581 -0.949 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.127 -1.169 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.925 -2.742 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.148 -1.918 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.152 0.897 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.213 0.229 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.698 0.836 -3.728 1.00 0.00 H new ATOM 386 N ILE A 29 -3.126 -4.831 -3.682 1.00 0.00 N ATOM 387 CA ILE A 29 -2.214 -5.896 -3.285 1.00 0.00 C ATOM 388 C ILE A 29 -0.852 -5.730 -3.951 1.00 0.00 C ATOM 389 O ILE A 29 -0.759 -5.290 -5.097 1.00 0.00 O ATOM 390 CB ILE A 29 -2.780 -7.284 -3.637 1.00 0.00 C ATOM 391 CG1 ILE A 29 -4.166 -7.467 -3.016 1.00 0.00 C ATOM 392 CG2 ILE A 29 -1.833 -8.378 -3.166 1.00 0.00 C ATOM 393 CD1 ILE A 29 -4.149 -7.510 -1.504 1.00 0.00 C ATOM 0 H ILE A 29 -3.217 -4.708 -4.690 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.098 -5.825 -2.204 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.876 -7.356 -4.720 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.812 -6.651 -3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.605 -8.391 -3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.247 -9.353 -3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.865 -8.256 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.707 -8.310 -2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.165 -7.642 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.530 -8.343 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.740 -6.576 -1.118 1.00 0.00 H new ATOM 405 N LEU A 30 0.203 -6.087 -3.226 1.00 0.00 N ATOM 406 CA LEU A 30 1.561 -5.980 -3.747 1.00 0.00 C ATOM 407 C LEU A 30 2.115 -7.354 -4.110 1.00 0.00 C ATOM 408 O LEU A 30 1.650 -8.386 -3.626 1.00 0.00 O ATOM 409 CB LEU A 30 2.471 -5.307 -2.718 1.00 0.00 C ATOM 410 CG LEU A 30 2.458 -3.778 -2.710 1.00 0.00 C ATOM 411 CD1 LEU A 30 3.154 -3.245 -1.467 1.00 0.00 C ATOM 412 CD2 LEU A 30 3.118 -3.232 -3.968 1.00 0.00 C ATOM 0 H LEU A 30 0.144 -6.453 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 30 1.530 -5.371 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.187 -5.658 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.494 -5.641 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 30 1.421 -3.443 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.135 -2.155 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.639 -3.608 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.188 -3.590 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.100 -2.142 -3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.151 -3.577 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.577 -3.586 -4.846 1.00 0.00 H new ATOM 424 N PRO A 31 3.133 -7.370 -4.983 1.00 0.00 N ATOM 425 CA PRO A 31 3.774 -8.610 -5.428 1.00 0.00 C ATOM 426 C PRO A 31 4.584 -9.275 -4.320 1.00 0.00 C ATOM 427 O PRO A 31 5.188 -10.329 -4.525 1.00 0.00 O ATOM 428 CB PRO A 31 4.696 -8.147 -6.560 1.00 0.00 C ATOM 429 CG PRO A 31 4.980 -6.717 -6.255 1.00 0.00 C ATOM 430 CD PRO A 31 3.738 -6.178 -5.601 1.00 0.00 C ATOM 0 HA PRO A 31 3.043 -9.359 -5.734 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.613 -8.735 -6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.215 -8.257 -7.532 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.841 -6.623 -5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.214 -6.163 -7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.973 -5.416 -4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.068 -5.718 -6.328 1.00 0.00 H new ATOM 438 N CYS A 32 4.594 -8.653 -3.146 1.00 0.00 N ATOM 439 CA CYS A 32 5.329 -9.184 -2.005 1.00 0.00 C ATOM 440 C CYS A 32 4.373 -9.721 -0.944 1.00 0.00 C ATOM 441 O CYS A 32 4.759 -9.926 0.207 1.00 0.00 O ATOM 442 CB CYS A 32 6.224 -8.100 -1.400 1.00 0.00 C ATOM 443 SG CYS A 32 5.386 -6.504 -1.138 1.00 0.00 S ATOM 0 H CYS A 32 4.101 -7.780 -2.960 1.00 0.00 H new ATOM 0 HA CYS A 32 5.952 -10.006 -2.356 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.612 -8.455 -0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.081 -7.945 -2.055 1.00 0.00 H new ATOM 448 N ALA A 33 3.125 -9.945 -1.339 1.00 0.00 N ATOM 449 CA ALA A 33 2.114 -10.460 -0.424 1.00 0.00 C ATOM 450 C ALA A 33 1.787 -9.441 0.662 1.00 0.00 C ATOM 451 O ALA A 33 1.688 -9.785 1.841 1.00 0.00 O ATOM 452 CB ALA A 33 2.584 -11.767 0.200 1.00 0.00 C ATOM 0 H ALA A 33 2.789 -9.778 -2.287 1.00 0.00 H new ATOM 0 HA ALA A 33 1.205 -10.648 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.819 -12.141 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.761 -12.502 -0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.508 -11.595 0.751 1.00 0.00 H new ATOM 458 N HIS A 34 1.620 -8.186 0.259 1.00 0.00 N ATOM 459 CA HIS A 34 1.304 -7.116 1.198 1.00 0.00 C ATOM 460 C HIS A 34 0.183 -6.233 0.659 1.00 0.00 C ATOM 461 O HIS A 34 0.228 -5.785 -0.486 1.00 0.00 O ATOM 462 CB HIS A 34 2.546 -6.269 1.477 1.00 0.00 C ATOM 463 CG HIS A 34 3.581 -6.975 2.298 1.00 0.00 C ATOM 464 ND1 HIS A 34 4.935 -6.762 2.148 1.00 0.00 N ATOM 465 CD2 HIS A 34 3.453 -7.894 3.283 1.00 0.00 C ATOM 466 CE1 HIS A 34 5.596 -7.521 3.004 1.00 0.00 C ATOM 467 NE2 HIS A 34 4.720 -8.218 3.705 1.00 0.00 N ATOM 0 H HIS A 34 1.698 -7.885 -0.712 1.00 0.00 H new ATOM 0 HA HIS A 34 0.968 -7.572 2.129 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.990 -5.967 0.529 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.245 -5.357 1.993 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.527 -8.298 3.666 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.670 -7.564 3.112 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.947 -8.888 4.440 1.00 0.00 H new ATOM 475 N SER A 35 -0.824 -5.988 1.492 1.00 0.00 N ATOM 476 CA SER A 35 -1.959 -5.163 1.098 1.00 0.00 C ATOM 477 C SER A 35 -1.998 -3.869 1.906 1.00 0.00 C ATOM 478 O SER A 35 -1.425 -3.785 2.992 1.00 0.00 O ATOM 479 CB SER A 35 -3.267 -5.934 1.286 1.00 0.00 C ATOM 480 OG SER A 35 -3.682 -5.911 2.641 1.00 0.00 O ATOM 0 H SER A 35 -0.876 -6.350 2.444 1.00 0.00 H new ATOM 0 HA SER A 35 -1.843 -4.909 0.044 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.043 -5.498 0.657 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.135 -6.966 0.960 1.00 0.00 H new ATOM 0 HG SER A 35 -4.334 -6.626 2.796 1.00 0.00 H new ATOM 486 N PHE A 36 -2.677 -2.863 1.367 1.00 0.00 N ATOM 487 CA PHE A 36 -2.790 -1.572 2.036 1.00 0.00 C ATOM 488 C PHE A 36 -4.093 -0.874 1.655 1.00 0.00 C ATOM 489 O PHE A 36 -4.439 -0.781 0.477 1.00 0.00 O ATOM 490 CB PHE A 36 -1.598 -0.682 1.678 1.00 0.00 C ATOM 491 CG PHE A 36 -0.268 -1.327 1.941 1.00 0.00 C ATOM 492 CD1 PHE A 36 0.231 -2.292 1.081 1.00 0.00 C ATOM 493 CD2 PHE A 36 0.483 -0.969 3.049 1.00 0.00 C ATOM 494 CE1 PHE A 36 1.455 -2.888 1.321 1.00 0.00 C ATOM 495 CE2 PHE A 36 1.708 -1.561 3.293 1.00 0.00 C ATOM 496 CZ PHE A 36 2.194 -2.523 2.429 1.00 0.00 C ATOM 0 H PHE A 36 -3.158 -2.916 0.469 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.793 -1.748 3.112 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.660 -0.412 0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.662 0.245 2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.343 -2.582 0.213 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.107 -0.219 3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.833 -3.638 0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.285 -1.272 4.159 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.150 -2.989 2.620 1.00 0.00 H new ATOM 506 N CYS A 37 -4.811 -0.386 2.660 1.00 0.00 N ATOM 507 CA CYS A 37 -6.076 0.303 2.433 1.00 0.00 C ATOM 508 C CYS A 37 -5.841 1.758 2.041 1.00 0.00 C ATOM 509 O CYS A 37 -4.754 2.298 2.246 1.00 0.00 O ATOM 510 CB CYS A 37 -6.950 0.235 3.687 1.00 0.00 C ATOM 511 SG CYS A 37 -6.261 1.122 5.122 1.00 0.00 S ATOM 0 H CYS A 37 -4.539 -0.455 3.641 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.591 -0.197 1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.932 0.648 3.455 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.099 -0.810 3.957 1.00 0.00 H new ATOM 516 N GLN A 38 -6.867 2.387 1.478 1.00 0.00 N ATOM 517 CA GLN A 38 -6.771 3.780 1.057 1.00 0.00 C ATOM 518 C GLN A 38 -6.207 4.649 2.177 1.00 0.00 C ATOM 519 O GLN A 38 -5.265 5.414 1.969 1.00 0.00 O ATOM 520 CB GLN A 38 -8.144 4.303 0.633 1.00 0.00 C ATOM 521 CG GLN A 38 -8.105 5.696 0.027 1.00 0.00 C ATOM 522 CD GLN A 38 -7.710 5.686 -1.436 1.00 0.00 C ATOM 523 OE1 GLN A 38 -8.557 5.546 -2.319 1.00 0.00 O ATOM 524 NE2 GLN A 38 -6.417 5.834 -1.702 1.00 0.00 N ATOM 0 H GLN A 38 -7.774 1.955 1.303 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.092 3.830 0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.578 3.613 -0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.804 4.312 1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.085 6.161 0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.400 6.311 0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.749 5.947 -0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.092 5.835 -2.669 1.00 0.00 H new ATOM 533 N LYS A 39 -6.790 4.527 3.364 1.00 0.00 N ATOM 534 CA LYS A 39 -6.347 5.300 4.518 1.00 0.00 C ATOM 535 C LYS A 39 -4.831 5.224 4.674 1.00 0.00 C ATOM 536 O LYS A 39 -4.138 6.239 4.605 1.00 0.00 O ATOM 537 CB LYS A 39 -7.027 4.792 5.791 1.00 0.00 C ATOM 538 CG LYS A 39 -8.527 5.029 5.815 1.00 0.00 C ATOM 539 CD LYS A 39 -8.864 6.415 6.340 1.00 0.00 C ATOM 540 CE LYS A 39 -10.308 6.788 6.044 1.00 0.00 C ATOM 541 NZ LYS A 39 -10.549 6.957 4.584 1.00 0.00 N ATOM 0 H LYS A 39 -7.572 3.899 3.552 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.627 6.341 4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.835 3.724 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.576 5.282 6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.931 4.912 4.809 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.005 4.276 6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.692 6.449 7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.197 7.149 5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.970 6.015 6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.558 7.713 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.409 7.523 4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.737 7.443 4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.669 6.023 4.142 1.00 0.00 H new ATOM 555 N CYS A 40 -4.323 4.014 4.884 1.00 0.00 N ATOM 556 CA CYS A 40 -2.890 3.804 5.048 1.00 0.00 C ATOM 557 C CYS A 40 -2.114 4.405 3.879 1.00 0.00 C ATOM 558 O CYS A 40 -1.316 5.325 4.059 1.00 0.00 O ATOM 559 CB CYS A 40 -2.582 2.310 5.164 1.00 0.00 C ATOM 560 SG CYS A 40 -3.104 1.564 6.742 1.00 0.00 S ATOM 0 H CYS A 40 -4.883 3.164 4.945 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.578 4.305 5.964 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.073 1.784 4.346 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.509 2.160 5.041 1.00 0.00 H new ATOM 565 N ILE A 41 -2.355 3.879 2.683 1.00 0.00 N ATOM 566 CA ILE A 41 -1.681 4.364 1.486 1.00 0.00 C ATOM 567 C ILE A 41 -1.628 5.888 1.464 1.00 0.00 C ATOM 568 O ILE A 41 -0.614 6.478 1.091 1.00 0.00 O ATOM 569 CB ILE A 41 -2.380 3.867 0.206 1.00 0.00 C ATOM 570 CG1 ILE A 41 -2.343 2.339 0.139 1.00 0.00 C ATOM 571 CG2 ILE A 41 -1.724 4.473 -1.025 1.00 0.00 C ATOM 572 CD1 ILE A 41 -3.405 1.748 -0.761 1.00 0.00 C ATOM 0 H ILE A 41 -3.012 3.117 2.518 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.666 3.968 1.513 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.422 4.185 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.362 2.023 -0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.465 1.936 1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.229 4.112 -1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.798 5.560 -0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.674 4.182 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.319 0.661 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.391 2.034 -0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.271 2.122 -1.776 1.00 0.00 H new ATOM 584 N ASP A 42 -2.725 6.518 1.867 1.00 0.00 N ATOM 585 CA ASP A 42 -2.804 7.974 1.897 1.00 0.00 C ATOM 586 C ASP A 42 -1.750 8.556 2.834 1.00 0.00 C ATOM 587 O ASP A 42 -1.155 9.595 2.548 1.00 0.00 O ATOM 588 CB ASP A 42 -4.198 8.422 2.337 1.00 0.00 C ATOM 589 CG ASP A 42 -5.149 8.589 1.167 1.00 0.00 C ATOM 590 OD1 ASP A 42 -4.756 9.229 0.170 1.00 0.00 O ATOM 591 OD2 ASP A 42 -6.285 8.078 1.250 1.00 0.00 O ATOM 0 H ASP A 42 -3.573 6.043 2.178 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.613 8.344 0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.608 7.691 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.120 9.366 2.876 1.00 0.00 H new ATOM 596 N LYS A 43 -1.523 7.879 3.954 1.00 0.00 N ATOM 597 CA LYS A 43 -0.541 8.327 4.934 1.00 0.00 C ATOM 598 C LYS A 43 0.878 8.105 4.423 1.00 0.00 C ATOM 599 O LYS A 43 1.607 9.060 4.151 1.00 0.00 O ATOM 600 CB LYS A 43 -0.739 7.588 6.260 1.00 0.00 C ATOM 601 CG LYS A 43 -0.074 8.271 7.442 1.00 0.00 C ATOM 602 CD LYS A 43 -0.700 7.841 8.758 1.00 0.00 C ATOM 603 CE LYS A 43 -2.032 8.536 8.995 1.00 0.00 C ATOM 604 NZ LYS A 43 -1.862 9.998 9.225 1.00 0.00 N ATOM 0 H LYS A 43 -2.006 7.017 4.206 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.687 9.395 5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.807 7.495 6.458 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.343 6.577 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.990 8.034 7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.159 9.352 7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.847 6.761 8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.019 8.069 9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.683 8.377 8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.527 8.088 9.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.711 10.377 9.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.033 10.160 9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.723 10.479 8.313 1.00 0.00 H new ATOM 618 N TRP A 44 1.264 6.841 4.293 1.00 0.00 N ATOM 619 CA TRP A 44 2.597 6.494 3.812 1.00 0.00 C ATOM 620 C TRP A 44 2.693 6.670 2.301 1.00 0.00 C ATOM 621 O TRP A 44 1.700 6.965 1.636 1.00 0.00 O ATOM 622 CB TRP A 44 2.940 5.053 4.193 1.00 0.00 C ATOM 623 CG TRP A 44 2.491 4.047 3.178 1.00 0.00 C ATOM 624 CD1 TRP A 44 1.270 3.439 3.111 1.00 0.00 C ATOM 625 CD2 TRP A 44 3.259 3.531 2.085 1.00 0.00 C ATOM 626 NE1 TRP A 44 1.233 2.575 2.043 1.00 0.00 N ATOM 627 CE2 TRP A 44 2.440 2.614 1.397 1.00 0.00 C ATOM 628 CE3 TRP A 44 4.557 3.755 1.620 1.00 0.00 C ATOM 629 CZ2 TRP A 44 2.880 1.923 0.271 1.00 0.00 C ATOM 630 CZ3 TRP A 44 4.992 3.068 0.502 1.00 0.00 C ATOM 631 CH2 TRP A 44 4.155 2.162 -0.163 1.00 0.00 C ATOM 0 H TRP A 44 0.673 6.039 4.514 1.00 0.00 H new ATOM 0 HA TRP A 44 3.313 7.167 4.284 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.018 4.967 4.327 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.480 4.820 5.153 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.454 3.612 3.797 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.436 1.998 1.775 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.209 4.452 2.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.237 1.223 -0.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.994 3.232 0.135 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.524 1.642 -1.035 1.00 0.00 H new ATOM 642 N SER A 45 3.895 6.486 1.763 1.00 0.00 N ATOM 643 CA SER A 45 4.120 6.628 0.329 1.00 0.00 C ATOM 644 C SER A 45 4.067 8.095 -0.087 1.00 0.00 C ATOM 645 O SER A 45 3.461 8.443 -1.100 1.00 0.00 O ATOM 646 CB SER A 45 3.079 5.826 -0.454 1.00 0.00 C ATOM 647 OG SER A 45 3.526 5.562 -1.773 1.00 0.00 O ATOM 0 H SER A 45 4.727 6.238 2.298 1.00 0.00 H new ATOM 0 HA SER A 45 5.113 6.240 0.102 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.877 4.886 0.060 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.140 6.379 -0.488 1.00 0.00 H new ATOM 0 HG SER A 45 3.733 6.407 -2.224 1.00 0.00 H new ATOM 653 N ASP A 46 4.706 8.951 0.703 1.00 0.00 N ATOM 654 CA ASP A 46 4.734 10.380 0.418 1.00 0.00 C ATOM 655 C ASP A 46 6.093 10.798 -0.134 1.00 0.00 C ATOM 656 O ASP A 46 6.177 11.630 -1.037 1.00 0.00 O ATOM 657 CB ASP A 46 4.415 11.180 1.682 1.00 0.00 C ATOM 658 CG ASP A 46 4.341 12.672 1.420 1.00 0.00 C ATOM 659 OD1 ASP A 46 5.170 13.179 0.636 1.00 0.00 O ATOM 660 OD2 ASP A 46 3.452 13.332 1.998 1.00 0.00 O ATOM 0 H ASP A 46 5.212 8.679 1.546 1.00 0.00 H new ATOM 0 HA ASP A 46 3.976 10.590 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.465 10.839 2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.178 10.984 2.435 1.00 0.00 H new ATOM 665 N ARG A 47 7.154 10.217 0.416 1.00 0.00 N ATOM 666 CA ARG A 47 8.509 10.531 -0.020 1.00 0.00 C ATOM 667 C ARG A 47 9.075 9.410 -0.887 1.00 0.00 C ATOM 668 O ARG A 47 9.718 9.663 -1.906 1.00 0.00 O ATOM 669 CB ARG A 47 9.416 10.761 1.190 1.00 0.00 C ATOM 670 CG ARG A 47 9.202 12.106 1.865 1.00 0.00 C ATOM 671 CD ARG A 47 9.997 12.215 3.156 1.00 0.00 C ATOM 672 NE ARG A 47 9.797 13.503 3.816 1.00 0.00 N ATOM 673 CZ ARG A 47 10.230 13.776 5.041 1.00 0.00 C ATOM 674 NH1 ARG A 47 10.885 12.857 5.737 1.00 0.00 N ATOM 675 NH2 ARG A 47 10.009 14.971 5.573 1.00 0.00 N ATOM 0 H ARG A 47 7.101 9.526 1.165 1.00 0.00 H new ATOM 0 HA ARG A 47 8.470 11.443 -0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.245 9.968 1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.456 10.684 0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.497 12.906 1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.142 12.243 2.077 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.703 11.412 3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.057 12.078 2.941 1.00 0.00 H new ATOM 0 HE ARG A 47 9.297 14.233 3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.058 11.937 5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.216 13.070 6.678 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.506 15.681 5.041 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.342 15.180 6.514 1.00 0.00 H new ATOM 689 N HIS A 48 8.831 8.170 -0.475 1.00 0.00 N ATOM 690 CA HIS A 48 9.316 7.009 -1.213 1.00 0.00 C ATOM 691 C HIS A 48 8.152 6.182 -1.751 1.00 0.00 C ATOM 692 O HIS A 48 7.045 6.229 -1.215 1.00 0.00 O ATOM 693 CB HIS A 48 10.203 6.143 -0.319 1.00 0.00 C ATOM 694 CG HIS A 48 11.608 6.647 -0.199 1.00 0.00 C ATOM 695 ND1 HIS A 48 12.467 6.744 -1.274 1.00 0.00 N ATOM 696 CD2 HIS A 48 12.303 7.084 0.876 1.00 0.00 C ATOM 697 CE1 HIS A 48 13.630 7.218 -0.864 1.00 0.00 C ATOM 698 NE2 HIS A 48 13.556 7.433 0.437 1.00 0.00 N ATOM 0 H HIS A 48 8.300 7.943 0.366 1.00 0.00 H new ATOM 0 HA HIS A 48 9.905 7.367 -2.057 1.00 0.00 H new ATOM 0 HB2 HIS A 48 9.759 6.089 0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 48 10.223 5.128 -0.715 1.00 0.00 H new ATOM 0 HD2 HIS A 48 11.940 7.147 1.891 1.00 0.00 H new ATOM 0 HE1 HIS A 48 14.494 7.399 -1.486 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.308 7.799 1.021 1.00 0.00 H new ATOM 706 N ARG A 49 8.411 5.426 -2.813 1.00 0.00 N ATOM 707 CA ARG A 49 7.384 4.591 -3.424 1.00 0.00 C ATOM 708 C ARG A 49 7.754 3.114 -3.324 1.00 0.00 C ATOM 709 O ARG A 49 7.562 2.350 -4.269 1.00 0.00 O ATOM 710 CB ARG A 49 7.186 4.979 -4.891 1.00 0.00 C ATOM 711 CG ARG A 49 6.243 6.155 -5.087 1.00 0.00 C ATOM 712 CD ARG A 49 6.049 6.473 -6.562 1.00 0.00 C ATOM 713 NE ARG A 49 4.914 7.364 -6.785 1.00 0.00 N ATOM 714 CZ ARG A 49 4.900 8.642 -6.422 1.00 0.00 C ATOM 715 NH1 ARG A 49 5.955 9.175 -5.823 1.00 0.00 N ATOM 716 NH2 ARG A 49 3.829 9.388 -6.660 1.00 0.00 N ATOM 0 H ARG A 49 9.323 5.375 -3.268 1.00 0.00 H new ATOM 0 HA ARG A 49 6.451 4.753 -2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.154 5.224 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.799 4.119 -5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.278 5.929 -4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.640 7.031 -4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.955 6.934 -6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.897 5.546 -7.116 1.00 0.00 H new ATOM 0 HE ARG A 49 4.086 6.984 -7.245 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.780 8.604 -5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.942 10.156 -5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.016 8.980 -7.122 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.819 10.369 -6.381 1.00 0.00 H new ATOM 730 N ASN A 50 8.287 2.720 -2.171 1.00 0.00 N ATOM 731 CA ASN A 50 8.685 1.335 -1.948 1.00 0.00 C ATOM 732 C ASN A 50 7.938 0.739 -0.758 1.00 0.00 C ATOM 733 O ASN A 50 7.615 1.441 0.201 1.00 0.00 O ATOM 734 CB ASN A 50 10.194 1.248 -1.712 1.00 0.00 C ATOM 735 CG ASN A 50 10.975 2.185 -2.613 1.00 0.00 C ATOM 736 OD1 ASN A 50 10.773 2.209 -3.827 1.00 0.00 O ATOM 737 ND2 ASN A 50 11.873 2.964 -2.020 1.00 0.00 N ATOM 0 H ASN A 50 8.453 3.340 -1.378 1.00 0.00 H new ATOM 0 HA ASN A 50 8.429 0.762 -2.839 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.410 1.486 -0.670 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.527 0.224 -1.881 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.428 3.616 -2.574 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.007 2.911 -1.010 1.00 0.00 H new ATOM 744 N CYS A 51 7.668 -0.560 -0.826 1.00 0.00 N ATOM 745 CA CYS A 51 6.959 -1.251 0.244 1.00 0.00 C ATOM 746 C CYS A 51 7.668 -1.054 1.581 1.00 0.00 C ATOM 747 O CYS A 51 8.796 -1.502 1.787 1.00 0.00 O ATOM 748 CB CYS A 51 6.848 -2.744 -0.071 1.00 0.00 C ATOM 749 SG CYS A 51 5.784 -3.670 1.082 1.00 0.00 S ATOM 0 H CYS A 51 7.930 -1.156 -1.611 1.00 0.00 H new ATOM 0 HA CYS A 51 5.958 -0.826 0.317 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.460 -2.863 -1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.846 -3.182 -0.059 1.00 0.00 H new ATOM 754 N PRO A 52 6.991 -0.367 2.514 1.00 0.00 N ATOM 755 CA PRO A 52 7.535 -0.095 3.847 1.00 0.00 C ATOM 756 C PRO A 52 7.630 -1.354 4.703 1.00 0.00 C ATOM 757 O PRO A 52 8.621 -1.568 5.400 1.00 0.00 O ATOM 758 CB PRO A 52 6.526 0.886 4.449 1.00 0.00 C ATOM 759 CG PRO A 52 5.251 0.606 3.731 1.00 0.00 C ATOM 760 CD PRO A 52 5.642 0.196 2.338 1.00 0.00 C ATOM 0 HA PRO A 52 8.552 0.294 3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.417 0.733 5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 52 6.843 1.919 4.304 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.689 -0.185 4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.611 1.488 3.713 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.950 -0.539 1.926 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.647 1.046 1.656 1.00 0.00 H new ATOM 768 N ILE A 53 6.593 -2.183 4.644 1.00 0.00 N ATOM 769 CA ILE A 53 6.561 -3.421 5.412 1.00 0.00 C ATOM 770 C ILE A 53 7.835 -4.232 5.201 1.00 0.00 C ATOM 771 O ILE A 53 8.472 -4.669 6.160 1.00 0.00 O ATOM 772 CB ILE A 53 5.345 -4.288 5.033 1.00 0.00 C ATOM 773 CG1 ILE A 53 4.046 -3.519 5.282 1.00 0.00 C ATOM 774 CG2 ILE A 53 5.357 -5.589 5.820 1.00 0.00 C ATOM 775 CD1 ILE A 53 3.659 -3.445 6.742 1.00 0.00 C ATOM 0 H ILE A 53 5.764 -2.019 4.072 1.00 0.00 H new ATOM 0 HA ILE A 53 6.482 -3.139 6.462 1.00 0.00 H new ATOM 0 HB ILE A 53 5.405 -4.528 3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.151 -2.507 4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.239 -3.994 4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.492 -6.191 5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.270 -6.141 5.597 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.318 -5.369 6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.729 -2.886 6.844 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.521 -4.453 7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.448 -2.943 7.302 1.00 0.00 H new ATOM 787 N CYS A 54 8.202 -4.429 3.940 1.00 0.00 N ATOM 788 CA CYS A 54 9.401 -5.186 3.601 1.00 0.00 C ATOM 789 C CYS A 54 10.634 -4.577 4.264 1.00 0.00 C ATOM 790 O CYS A 54 11.540 -5.294 4.689 1.00 0.00 O ATOM 791 CB CYS A 54 9.593 -5.227 2.084 1.00 0.00 C ATOM 792 SG CYS A 54 8.452 -6.356 1.221 1.00 0.00 S ATOM 0 H CYS A 54 7.686 -4.075 3.135 1.00 0.00 H new ATOM 0 HA CYS A 54 9.275 -6.203 3.972 1.00 0.00 H new ATOM 0 HB2 CYS A 54 9.463 -4.221 1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 54 10.618 -5.527 1.866 1.00 0.00 H new ATOM 797 N ARG A 55 10.660 -3.251 4.347 1.00 0.00 N ATOM 798 CA ARG A 55 11.781 -2.546 4.957 1.00 0.00 C ATOM 799 C ARG A 55 11.961 -2.967 6.413 1.00 0.00 C ATOM 800 O ARG A 55 13.016 -3.473 6.798 1.00 0.00 O ATOM 801 CB ARG A 55 11.565 -1.034 4.875 1.00 0.00 C ATOM 802 CG ARG A 55 11.283 -0.534 3.468 1.00 0.00 C ATOM 803 CD ARG A 55 12.569 -0.312 2.687 1.00 0.00 C ATOM 804 NE ARG A 55 13.359 0.787 3.235 1.00 0.00 N ATOM 805 CZ ARG A 55 14.346 1.384 2.575 1.00 0.00 C ATOM 806 NH1 ARG A 55 14.662 0.988 1.349 1.00 0.00 N ATOM 807 NH2 ARG A 55 15.018 2.378 3.140 1.00 0.00 N ATOM 0 H ARG A 55 9.918 -2.643 4.000 1.00 0.00 H new ATOM 0 HA ARG A 55 12.685 -2.808 4.407 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.733 -0.759 5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.450 -0.528 5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.657 -1.256 2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.721 0.399 3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.163 -1.226 2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.329 -0.101 1.645 1.00 0.00 H new ATOM 0 HE ARG A 55 13.141 1.115 4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.147 0.224 0.911 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.420 1.448 0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.778 2.685 4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.775 2.835 2.632 1.00 0.00 H new ATOM 821 N LEU A 56 10.926 -2.753 7.217 1.00 0.00 N ATOM 822 CA LEU A 56 10.970 -3.109 8.631 1.00 0.00 C ATOM 823 C LEU A 56 11.175 -4.610 8.808 1.00 0.00 C ATOM 824 O LEU A 56 11.832 -5.049 9.751 1.00 0.00 O ATOM 825 CB LEU A 56 9.679 -2.674 9.327 1.00 0.00 C ATOM 826 CG LEU A 56 8.543 -3.697 9.337 1.00 0.00 C ATOM 827 CD1 LEU A 56 8.813 -4.784 10.367 1.00 0.00 C ATOM 828 CD2 LEU A 56 7.212 -3.015 9.616 1.00 0.00 C ATOM 0 H LEU A 56 10.046 -2.335 6.914 1.00 0.00 H new ATOM 0 HA LEU A 56 11.814 -2.589 9.085 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.916 -2.414 10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.318 -1.766 8.845 1.00 0.00 H new ATOM 0 HG LEU A 56 8.490 -4.162 8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.994 -5.503 10.360 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.745 -5.293 10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.893 -4.335 11.357 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.416 -3.759 9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.252 -2.522 10.587 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.013 -2.274 8.841 1.00 0.00 H new ATOM 840 N GLN A 57 10.609 -5.392 7.894 1.00 0.00 N ATOM 841 CA GLN A 57 10.731 -6.844 7.949 1.00 0.00 C ATOM 842 C GLN A 57 12.196 -7.268 7.927 1.00 0.00 C ATOM 843 O GLN A 57 12.854 -7.207 6.890 1.00 0.00 O ATOM 844 CB GLN A 57 9.985 -7.484 6.777 1.00 0.00 C ATOM 845 CG GLN A 57 9.646 -8.949 7.000 1.00 0.00 C ATOM 846 CD GLN A 57 8.320 -9.140 7.709 1.00 0.00 C ATOM 847 OE1 GLN A 57 8.272 -9.296 8.930 1.00 0.00 O ATOM 848 NE2 GLN A 57 7.233 -9.129 6.946 1.00 0.00 N ATOM 0 H GLN A 57 10.062 -5.044 7.107 1.00 0.00 H new ATOM 0 HA GLN A 57 10.287 -7.186 8.884 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.064 -6.930 6.597 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.593 -7.393 5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.617 -9.462 6.038 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.438 -9.416 7.586 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.319 -8.997 5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.313 -9.253 7.368 1.00 0.00 H new ATOM 857 N MET A 58 12.700 -7.697 9.080 1.00 0.00 N ATOM 858 CA MET A 58 14.087 -8.132 9.193 1.00 0.00 C ATOM 859 C MET A 58 14.227 -9.604 8.820 1.00 0.00 C ATOM 860 O MET A 58 13.926 -10.490 9.621 1.00 0.00 O ATOM 861 CB MET A 58 14.602 -7.902 10.615 1.00 0.00 C ATOM 862 CG MET A 58 14.671 -6.435 11.007 1.00 0.00 C ATOM 863 SD MET A 58 16.185 -5.635 10.442 1.00 0.00 S ATOM 864 CE MET A 58 16.953 -5.220 12.006 1.00 0.00 C ATOM 0 H MET A 58 12.168 -7.753 9.949 1.00 0.00 H new ATOM 0 HA MET A 58 14.685 -7.541 8.499 1.00 0.00 H new ATOM 0 HB2 MET A 58 13.954 -8.427 11.317 1.00 0.00 H new ATOM 0 HB3 MET A 58 15.595 -8.342 10.708 1.00 0.00 H new ATOM 0 HG2 MET A 58 13.811 -5.911 10.591 1.00 0.00 H new ATOM 0 HG3 MET A 58 14.602 -6.349 12.091 1.00 0.00 H new ATOM 0 HE1 MET A 58 17.903 -4.717 11.823 1.00 0.00 H new ATOM 0 HE2 MET A 58 16.295 -4.559 12.570 1.00 0.00 H new ATOM 0 HE3 MET A 58 17.129 -6.131 12.578 1.00 0.00 H new ATOM 874 N THR A 59 14.686 -9.860 7.598 1.00 0.00 N ATOM 875 CA THR A 59 14.864 -11.225 7.119 1.00 0.00 C ATOM 876 C THR A 59 13.768 -12.141 7.650 1.00 0.00 C ATOM 877 O THR A 59 14.021 -13.298 7.985 1.00 0.00 O ATOM 878 CB THR A 59 16.236 -11.790 7.532 1.00 0.00 C ATOM 879 OG1 THR A 59 16.444 -11.596 8.936 1.00 0.00 O ATOM 880 CG2 THR A 59 17.356 -11.119 6.751 1.00 0.00 C ATOM 0 H THR A 59 14.941 -9.139 6.923 1.00 0.00 H new ATOM 0 HA THR A 59 14.807 -11.189 6.031 1.00 0.00 H new ATOM 0 HB THR A 59 16.247 -12.857 7.307 1.00 0.00 H new ATOM 0 HG1 THR A 59 17.318 -11.959 9.191 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.315 -11.535 7.060 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.212 -11.294 5.685 1.00 0.00 H new ATOM 0 HG23 THR A 59 17.345 -10.047 6.948 1.00 0.00 H new ATOM 888 N GLY A 60 12.549 -11.617 7.724 1.00 0.00 N ATOM 889 CA GLY A 60 11.432 -12.403 8.215 1.00 0.00 C ATOM 890 C GLY A 60 11.159 -13.622 7.357 1.00 0.00 C ATOM 891 O GLY A 60 11.983 -14.533 7.280 1.00 0.00 O ATOM 0 H GLY A 60 12.315 -10.662 7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.637 -12.721 9.237 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.539 -11.779 8.248 1.00 0.00 H new ATOM 895 N ALA A 61 9.998 -13.641 6.710 1.00 0.00 N ATOM 896 CA ALA A 61 9.619 -14.757 5.852 1.00 0.00 C ATOM 897 C ALA A 61 8.541 -14.342 4.856 1.00 0.00 C ATOM 898 O ALA A 61 7.436 -13.968 5.244 1.00 0.00 O ATOM 899 CB ALA A 61 9.139 -15.930 6.694 1.00 0.00 C ATOM 0 H ALA A 61 9.304 -12.896 6.764 1.00 0.00 H new ATOM 0 HA ALA A 61 10.499 -15.065 5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.859 -16.756 6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.939 -16.250 7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.275 -15.625 7.284 1.00 0.00 H new ATOM 905 N ASN A 62 8.872 -14.412 3.571 1.00 0.00 N ATOM 906 CA ASN A 62 7.932 -14.042 2.519 1.00 0.00 C ATOM 907 C ASN A 62 7.913 -15.093 1.412 1.00 0.00 C ATOM 908 O ASN A 62 8.773 -15.096 0.532 1.00 0.00 O ATOM 909 CB ASN A 62 8.299 -12.677 1.935 1.00 0.00 C ATOM 910 CG ASN A 62 9.788 -12.536 1.684 1.00 0.00 C ATOM 911 OD1 ASN A 62 10.531 -13.517 1.726 1.00 0.00 O ATOM 912 ND2 ASN A 62 10.231 -11.312 1.421 1.00 0.00 N ATOM 0 H ASN A 62 9.783 -14.721 3.233 1.00 0.00 H new ATOM 0 HA ASN A 62 6.937 -13.985 2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.760 -12.529 0.999 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.973 -11.893 2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.223 -11.156 1.244 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.579 -10.528 1.396 1.00 0.00 H new ATOM 919 N GLU A 63 6.926 -15.982 1.465 1.00 0.00 N ATOM 920 CA GLU A 63 6.797 -17.037 0.467 1.00 0.00 C ATOM 921 C GLU A 63 6.670 -16.448 -0.935 1.00 0.00 C ATOM 922 O GLU A 63 5.990 -15.442 -1.138 1.00 0.00 O ATOM 923 CB GLU A 63 5.581 -17.914 0.775 1.00 0.00 C ATOM 924 CG GLU A 63 4.290 -17.130 0.935 1.00 0.00 C ATOM 925 CD GLU A 63 3.060 -18.017 0.899 1.00 0.00 C ATOM 926 OE1 GLU A 63 3.137 -19.114 0.309 1.00 0.00 O ATOM 927 OE2 GLU A 63 2.021 -17.612 1.461 1.00 0.00 O ATOM 0 H GLU A 63 6.206 -15.993 2.187 1.00 0.00 H new ATOM 0 HA GLU A 63 7.698 -17.649 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.457 -18.643 -0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.771 -18.475 1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.314 -16.587 1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.220 -16.386 0.141 1.00 0.00 H new ATOM 934 N SER A 64 7.331 -17.081 -1.899 1.00 0.00 N ATOM 935 CA SER A 64 7.297 -16.618 -3.281 1.00 0.00 C ATOM 936 C SER A 64 6.170 -17.297 -4.054 1.00 0.00 C ATOM 937 O SER A 64 5.848 -18.460 -3.810 1.00 0.00 O ATOM 938 CB SER A 64 8.637 -16.892 -3.966 1.00 0.00 C ATOM 939 OG SER A 64 9.662 -16.076 -3.425 1.00 0.00 O ATOM 0 H SER A 64 7.897 -17.916 -1.748 1.00 0.00 H new ATOM 0 HA SER A 64 7.114 -15.544 -3.274 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.902 -17.942 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.547 -16.706 -5.036 1.00 0.00 H new ATOM 0 HG SER A 64 10.509 -16.271 -3.878 1.00 0.00 H new ATOM 945 N SER A 65 5.574 -16.562 -4.987 1.00 0.00 N ATOM 946 CA SER A 65 4.480 -17.090 -5.794 1.00 0.00 C ATOM 947 C SER A 65 4.899 -18.375 -6.503 1.00 0.00 C ATOM 948 O SER A 65 4.148 -19.348 -6.543 1.00 0.00 O ATOM 949 CB SER A 65 4.029 -16.051 -6.822 1.00 0.00 C ATOM 950 OG SER A 65 3.104 -16.609 -7.739 1.00 0.00 O ATOM 0 H SER A 65 5.830 -15.599 -5.203 1.00 0.00 H new ATOM 0 HA SER A 65 3.647 -17.317 -5.129 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.573 -15.203 -6.311 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.895 -15.669 -7.362 1.00 0.00 H new ATOM 0 HG SER A 65 2.830 -15.925 -8.385 1.00 0.00 H new ATOM 956 N GLY A 66 6.106 -18.368 -7.061 1.00 0.00 N ATOM 957 CA GLY A 66 6.606 -19.537 -7.761 1.00 0.00 C ATOM 958 C GLY A 66 6.501 -19.400 -9.267 1.00 0.00 C ATOM 959 O GLY A 66 6.619 -18.307 -9.822 1.00 0.00 O ATOM 0 H GLY A 66 6.746 -17.574 -7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.648 -19.703 -7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.047 -20.416 -7.439 1.00 0.00 H new ATOM 963 N PRO A 67 6.276 -20.530 -9.954 1.00 0.00 N ATOM 964 CA PRO A 67 6.152 -20.556 -11.415 1.00 0.00 C ATOM 965 C PRO A 67 4.869 -19.890 -11.900 1.00 0.00 C ATOM 966 O PRO A 67 3.793 -20.486 -11.853 1.00 0.00 O ATOM 967 CB PRO A 67 6.135 -22.052 -11.742 1.00 0.00 C ATOM 968 CG PRO A 67 5.626 -22.704 -10.503 1.00 0.00 C ATOM 969 CD PRO A 67 6.126 -21.868 -9.358 1.00 0.00 C ATOM 0 HA PRO A 67 6.958 -20.008 -11.903 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.490 -22.264 -12.595 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.131 -22.413 -11.999 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.537 -22.750 -10.506 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.988 -23.729 -10.425 1.00 0.00 H new ATOM 0 HD2 PRO A 67 5.421 -21.861 -8.527 1.00 0.00 H new ATOM 0 HD3 PRO A 67 7.073 -22.243 -8.969 1.00 0.00 H new ATOM 977 N SER A 68 4.991 -18.652 -12.367 1.00 0.00 N ATOM 978 CA SER A 68 3.840 -17.903 -12.858 1.00 0.00 C ATOM 979 C SER A 68 3.557 -18.239 -14.319 1.00 0.00 C ATOM 980 O SER A 68 4.434 -18.718 -15.038 1.00 0.00 O ATOM 981 CB SER A 68 4.079 -16.400 -12.705 1.00 0.00 C ATOM 982 OG SER A 68 3.773 -15.966 -11.391 1.00 0.00 O ATOM 0 H SER A 68 5.875 -18.146 -12.416 1.00 0.00 H new ATOM 0 HA SER A 68 2.972 -18.187 -12.263 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.119 -16.169 -12.935 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.465 -15.856 -13.423 1.00 0.00 H new ATOM 0 HG SER A 68 3.936 -15.002 -11.319 1.00 0.00 H new ATOM 988 N SER A 69 2.326 -17.983 -14.751 1.00 0.00 N ATOM 989 CA SER A 69 1.925 -18.261 -16.125 1.00 0.00 C ATOM 990 C SER A 69 2.837 -17.540 -17.113 1.00 0.00 C ATOM 991 O SER A 69 3.430 -18.161 -17.994 1.00 0.00 O ATOM 992 CB SER A 69 0.473 -17.836 -16.350 1.00 0.00 C ATOM 993 OG SER A 69 0.267 -16.492 -15.952 1.00 0.00 O ATOM 0 H SER A 69 1.589 -17.584 -14.169 1.00 0.00 H new ATOM 0 HA SER A 69 2.012 -19.334 -16.293 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.217 -17.950 -17.403 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.192 -18.491 -15.787 1.00 0.00 H new ATOM 0 HG SER A 69 -0.668 -16.244 -16.108 1.00 0.00 H new ATOM 999 N GLY A 70 2.943 -16.223 -16.959 1.00 0.00 N ATOM 1000 CA GLY A 70 3.784 -15.439 -17.844 1.00 0.00 C ATOM 1001 C GLY A 70 4.151 -14.092 -17.253 1.00 0.00 C ATOM 1002 O GLY A 70 4.673 -14.049 -16.140 1.00 0.00 O ATOM 0 H GLY A 70 2.462 -15.686 -16.238 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.695 -15.996 -18.063 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.267 -15.288 -18.792 1.00 0.00 H new TER 1006 GLY A 70 HETATM 1007 ZN ZN A 201 -4.835 0.181 6.489 1.00 0.00 ZN HETATM 1008 ZN ZN A 401 6.332 -5.830 0.937 1.00 0.00 ZN