USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 493 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 28 HIS HD1 : A 28 HIS ND1 : A 201 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=-0.00116 USER MOD Single : A 3 SER OG : rot 36:sc= 0.35 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 HIS : no HD1:sc= -0.0315 X(o=-0.031,f=-0.14) USER MOD Single : A 10 GLN : amide:sc= -0.0072 K(o=-0.0072,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -3.39! C(o=-3.4!,f=-4.2!) USER MOD Single : A 26 SER OG : rot 52:sc= 0.801 USER MOD Single : A 38 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.22) USER MOD Single : A 48 LYS NZ :NH3+ 140:sc= -1.45 (180deg=-3.74!) USER MOD Single : A 49 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.3!) USER MOD Single : A 53 HIS : no HD1:sc= -4.7! C(o=-4.7!,f=-7.7!) USER MOD Single : A 59 HIS : no HD1:sc= -7.34! C(o=-7.3!,f=-7.6!) USER MOD Single : A 60 ASN : amide:sc= -2.27 X(o=-2.3,f=-2.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=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 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.807 -9.075 2.279 1.00 0.00 N ATOM 2 CA GLY A 1 -29.081 -9.342 1.051 1.00 0.00 C ATOM 3 C GLY A 1 -27.655 -8.829 1.098 1.00 0.00 C ATOM 4 O GLY A 1 -26.770 -9.485 1.646 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.776 -9.445 2.197 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.325 -9.540 3.075 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.841 -8.049 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.072 -10.416 0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.604 -8.877 0.215 1.00 0.00 H new ATOM 8 N SER A 2 -27.432 -7.653 0.519 1.00 0.00 N ATOM 9 CA SER A 2 -26.103 -7.055 0.491 1.00 0.00 C ATOM 10 C SER A 2 -26.193 -5.532 0.446 1.00 0.00 C ATOM 11 O SER A 2 -27.224 -4.972 0.074 1.00 0.00 O ATOM 12 CB SER A 2 -25.315 -7.567 -0.716 1.00 0.00 C ATOM 13 OG SER A 2 -25.093 -8.963 -0.626 1.00 0.00 O ATOM 0 H SER A 2 -28.155 -7.096 0.063 1.00 0.00 H new ATOM 0 HA SER A 2 -25.583 -7.344 1.404 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.860 -7.341 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.359 -7.047 -0.777 1.00 0.00 H new ATOM 0 HG SER A 2 -24.589 -9.265 -1.410 1.00 0.00 H new ATOM 19 N SER A 3 -25.106 -4.870 0.826 1.00 0.00 N ATOM 20 CA SER A 3 -25.062 -3.412 0.833 1.00 0.00 C ATOM 21 C SER A 3 -23.847 -2.902 0.064 1.00 0.00 C ATOM 22 O SER A 3 -22.706 -3.191 0.421 1.00 0.00 O ATOM 23 CB SER A 3 -25.027 -2.889 2.270 1.00 0.00 C ATOM 24 OG SER A 3 -23.910 -3.405 2.974 1.00 0.00 O ATOM 0 H SER A 3 -24.243 -5.319 1.133 1.00 0.00 H new ATOM 0 HA SER A 3 -25.962 -3.043 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.985 -1.800 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.946 -3.169 2.785 1.00 0.00 H new ATOM 0 HG SER A 3 -23.148 -3.488 2.363 1.00 0.00 H new ATOM 30 N GLY A 4 -24.103 -2.139 -0.995 1.00 0.00 N ATOM 31 CA GLY A 4 -23.022 -1.600 -1.799 1.00 0.00 C ATOM 32 C GLY A 4 -22.400 -2.641 -2.709 1.00 0.00 C ATOM 33 O GLY A 4 -22.442 -3.836 -2.415 1.00 0.00 O ATOM 0 H GLY A 4 -25.039 -1.885 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.399 -0.774 -2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.254 -1.191 -1.142 1.00 0.00 H new ATOM 37 N SER A 5 -21.824 -2.188 -3.817 1.00 0.00 N ATOM 38 CA SER A 5 -21.196 -3.090 -4.776 1.00 0.00 C ATOM 39 C SER A 5 -19.681 -3.107 -4.595 1.00 0.00 C ATOM 40 O SER A 5 -19.070 -4.169 -4.485 1.00 0.00 O ATOM 41 CB SER A 5 -21.546 -2.673 -6.206 1.00 0.00 C ATOM 42 OG SER A 5 -22.930 -2.837 -6.461 1.00 0.00 O ATOM 0 H SER A 5 -21.779 -1.202 -4.073 1.00 0.00 H new ATOM 0 HA SER A 5 -21.577 -4.095 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.265 -1.632 -6.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.970 -3.269 -6.913 1.00 0.00 H new ATOM 0 HG SER A 5 -23.128 -2.562 -7.381 1.00 0.00 H new ATOM 48 N SER A 6 -19.082 -1.920 -4.565 1.00 0.00 N ATOM 49 CA SER A 6 -17.639 -1.797 -4.401 1.00 0.00 C ATOM 50 C SER A 6 -17.301 -0.828 -3.273 1.00 0.00 C ATOM 51 O SER A 6 -17.369 0.389 -3.442 1.00 0.00 O ATOM 52 CB SER A 6 -16.995 -1.322 -5.706 1.00 0.00 C ATOM 53 OG SER A 6 -17.029 -2.340 -6.691 1.00 0.00 O ATOM 0 H SER A 6 -19.574 -1.031 -4.652 1.00 0.00 H new ATOM 0 HA SER A 6 -17.242 -2.779 -4.144 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.518 -0.439 -6.073 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.963 -1.026 -5.519 1.00 0.00 H new ATOM 0 HG SER A 6 -16.613 -2.011 -7.515 1.00 0.00 H new ATOM 59 N GLY A 7 -16.936 -1.378 -2.118 1.00 0.00 N ATOM 60 CA GLY A 7 -16.594 -0.549 -0.977 1.00 0.00 C ATOM 61 C GLY A 7 -15.132 -0.666 -0.594 1.00 0.00 C ATOM 62 O GLY A 7 -14.508 -1.706 -0.806 1.00 0.00 O ATOM 0 H GLY A 7 -16.871 -2.382 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.825 0.492 -1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.213 -0.833 -0.126 1.00 0.00 H new ATOM 66 N CYS A 8 -14.582 0.404 -0.030 1.00 0.00 N ATOM 67 CA CYS A 8 -13.184 0.419 0.382 1.00 0.00 C ATOM 68 C CYS A 8 -12.934 -0.593 1.496 1.00 0.00 C ATOM 69 O CYS A 8 -13.782 -0.797 2.366 1.00 0.00 O ATOM 70 CB CYS A 8 -12.783 1.819 0.850 1.00 0.00 C ATOM 71 SG CYS A 8 -11.235 1.868 1.809 1.00 0.00 S ATOM 0 H CYS A 8 -15.084 1.273 0.152 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.575 0.143 -0.479 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.679 2.466 -0.021 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.588 2.231 1.458 1.00 0.00 H new ATOM 76 N HIS A 9 -11.764 -1.223 1.465 1.00 0.00 N ATOM 77 CA HIS A 9 -11.402 -2.214 2.472 1.00 0.00 C ATOM 78 C HIS A 9 -10.650 -1.562 3.629 1.00 0.00 C ATOM 79 O HIS A 9 -10.837 -1.931 4.788 1.00 0.00 O ATOM 80 CB HIS A 9 -10.545 -3.316 1.849 1.00 0.00 C ATOM 81 CG HIS A 9 -10.464 -4.556 2.685 1.00 0.00 C ATOM 82 ND1 HIS A 9 -11.573 -5.174 3.224 1.00 0.00 N ATOM 83 CD2 HIS A 9 -9.398 -5.295 3.072 1.00 0.00 C ATOM 84 CE1 HIS A 9 -11.193 -6.238 3.908 1.00 0.00 C ATOM 85 NE2 HIS A 9 -9.877 -6.335 3.831 1.00 0.00 N ATOM 0 H HIS A 9 -11.050 -1.065 0.753 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.321 -2.654 2.860 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.952 -3.573 0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.538 -2.932 1.684 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.363 -5.103 2.829 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.846 -6.914 4.440 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.310 -7.063 4.265 1.00 0.00 H new ATOM 94 N GLN A 10 -9.801 -0.592 3.305 1.00 0.00 N ATOM 95 CA GLN A 10 -9.021 0.110 4.318 1.00 0.00 C ATOM 96 C GLN A 10 -9.911 0.569 5.469 1.00 0.00 C ATOM 97 O GLN A 10 -9.861 0.012 6.566 1.00 0.00 O ATOM 98 CB GLN A 10 -8.307 1.312 3.699 1.00 0.00 C ATOM 99 CG GLN A 10 -7.551 2.158 4.711 1.00 0.00 C ATOM 100 CD GLN A 10 -6.296 1.477 5.220 1.00 0.00 C ATOM 101 OE1 GLN A 10 -5.665 0.698 4.505 1.00 0.00 O ATOM 102 NE2 GLN A 10 -5.926 1.768 6.462 1.00 0.00 N ATOM 0 H GLN A 10 -9.636 -0.274 2.350 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.277 -0.582 4.712 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.609 0.958 2.940 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.041 1.938 3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.283 3.111 4.254 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.206 2.381 5.553 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.479 2.419 7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.089 1.340 6.858 1.00 0.00 H new ATOM 111 N CYS A 11 -10.724 1.588 5.212 1.00 0.00 N ATOM 112 CA CYS A 11 -11.624 2.123 6.225 1.00 0.00 C ATOM 113 C CYS A 11 -12.946 1.362 6.235 1.00 0.00 C ATOM 114 O CYS A 11 -13.479 1.035 7.295 1.00 0.00 O ATOM 115 CB CYS A 11 -11.882 3.610 5.975 1.00 0.00 C ATOM 116 SG CYS A 11 -12.721 3.964 4.397 1.00 0.00 S ATOM 0 H CYS A 11 -10.778 2.060 4.309 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.147 2.002 7.198 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.486 4.005 6.792 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -10.931 4.141 5.996 1.00 0.00 H new ATOM 121 N GLY A 12 -13.471 1.081 5.046 1.00 0.00 N ATOM 122 CA GLY A 12 -14.726 0.360 4.940 1.00 0.00 C ATOM 123 C GLY A 12 -15.794 1.159 4.220 1.00 0.00 C ATOM 124 O GLY A 12 -16.587 0.603 3.461 1.00 0.00 O ATOM 0 H GLY A 12 -13.049 1.340 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.559 -0.578 4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.080 0.103 5.939 1.00 0.00 H new ATOM 128 N GLU A 13 -15.816 2.466 4.460 1.00 0.00 N ATOM 129 CA GLU A 13 -16.797 3.342 3.830 1.00 0.00 C ATOM 130 C GLU A 13 -16.919 3.039 2.339 1.00 0.00 C ATOM 131 O GLU A 13 -15.969 2.572 1.710 1.00 0.00 O ATOM 132 CB GLU A 13 -16.411 4.808 4.034 1.00 0.00 C ATOM 133 CG GLU A 13 -16.250 5.198 5.494 1.00 0.00 C ATOM 134 CD GLU A 13 -17.576 5.286 6.224 1.00 0.00 C ATOM 135 OE1 GLU A 13 -18.402 6.144 5.849 1.00 0.00 O ATOM 136 OE2 GLU A 13 -17.787 4.498 7.169 1.00 0.00 O ATOM 0 H GLU A 13 -15.166 2.942 5.086 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.763 3.160 4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.476 5.005 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.172 5.442 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.613 4.468 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.741 6.160 5.555 1.00 0.00 H new ATOM 143 N PHE A 14 -18.094 3.308 1.780 1.00 0.00 N ATOM 144 CA PHE A 14 -18.341 3.064 0.364 1.00 0.00 C ATOM 145 C PHE A 14 -17.666 4.127 -0.497 1.00 0.00 C ATOM 146 O PHE A 14 -17.690 5.314 -0.169 1.00 0.00 O ATOM 147 CB PHE A 14 -19.845 3.043 0.084 1.00 0.00 C ATOM 148 CG PHE A 14 -20.200 2.427 -1.240 1.00 0.00 C ATOM 149 CD1 PHE A 14 -19.956 1.085 -1.482 1.00 0.00 C ATOM 150 CD2 PHE A 14 -20.777 3.191 -2.242 1.00 0.00 C ATOM 151 CE1 PHE A 14 -20.281 0.516 -2.699 1.00 0.00 C ATOM 152 CE2 PHE A 14 -21.104 2.627 -3.461 1.00 0.00 C ATOM 153 CZ PHE A 14 -20.856 1.288 -3.689 1.00 0.00 C ATOM 0 H PHE A 14 -18.890 3.695 2.286 1.00 0.00 H new ATOM 0 HA PHE A 14 -17.917 2.093 0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.347 2.491 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.227 4.064 0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -19.507 0.477 -0.711 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.973 4.239 -2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.085 -0.531 -2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.553 3.233 -4.234 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.111 0.845 -4.640 1.00 0.00 H new ATOM 163 N ILE A 15 -17.065 3.692 -1.600 1.00 0.00 N ATOM 164 CA ILE A 15 -16.384 4.606 -2.509 1.00 0.00 C ATOM 165 C ILE A 15 -17.357 5.204 -3.519 1.00 0.00 C ATOM 166 O ILE A 15 -18.110 4.481 -4.173 1.00 0.00 O ATOM 167 CB ILE A 15 -15.244 3.901 -3.266 1.00 0.00 C ATOM 168 CG1 ILE A 15 -14.404 3.061 -2.302 1.00 0.00 C ATOM 169 CG2 ILE A 15 -14.374 4.922 -3.984 1.00 0.00 C ATOM 170 CD1 ILE A 15 -13.624 1.958 -2.982 1.00 0.00 C ATOM 0 H ILE A 15 -17.036 2.713 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 15 -15.964 5.404 -1.897 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.680 3.236 -4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.709 3.714 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.060 2.621 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.572 4.408 -4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -14.981 5.480 -4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.944 5.610 -3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.052 1.404 -2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.314 1.282 -3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.942 2.392 -3.714 1.00 0.00 H new ATOM 182 N ILE A 16 -17.335 6.526 -3.642 1.00 0.00 N ATOM 183 CA ILE A 16 -18.214 7.221 -4.576 1.00 0.00 C ATOM 184 C ILE A 16 -17.423 8.158 -5.482 1.00 0.00 C ATOM 185 O ILE A 16 -16.871 9.159 -5.027 1.00 0.00 O ATOM 186 CB ILE A 16 -19.294 8.031 -3.835 1.00 0.00 C ATOM 187 CG1 ILE A 16 -19.965 7.169 -2.764 1.00 0.00 C ATOM 188 CG2 ILE A 16 -20.325 8.562 -4.819 1.00 0.00 C ATOM 189 CD1 ILE A 16 -20.925 7.938 -1.884 1.00 0.00 C ATOM 0 H ILE A 16 -16.719 7.138 -3.107 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.698 6.456 -5.183 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.818 8.880 -3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.503 6.354 -3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.195 6.716 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -21.082 9.132 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -19.834 9.207 -5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.799 7.727 -5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -21.364 7.264 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.389 8.736 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -21.716 8.369 -2.498 1.00 0.00 H new ATOM 201 N GLY A 17 -17.374 7.826 -6.769 1.00 0.00 N ATOM 202 CA GLY A 17 -16.650 8.649 -7.720 1.00 0.00 C ATOM 203 C GLY A 17 -15.415 7.958 -8.263 1.00 0.00 C ATOM 204 O GLY A 17 -15.397 7.520 -9.414 1.00 0.00 O ATOM 0 H GLY A 17 -17.823 7.002 -7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.310 8.909 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.358 9.583 -7.239 1.00 0.00 H new ATOM 208 N ARG A 18 -14.381 7.860 -7.435 1.00 0.00 N ATOM 209 CA ARG A 18 -13.135 7.219 -7.840 1.00 0.00 C ATOM 210 C ARG A 18 -12.875 5.964 -7.012 1.00 0.00 C ATOM 211 O ARG A 18 -12.782 6.025 -5.786 1.00 0.00 O ATOM 212 CB ARG A 18 -11.965 8.192 -7.693 1.00 0.00 C ATOM 213 CG ARG A 18 -10.605 7.512 -7.675 1.00 0.00 C ATOM 214 CD ARG A 18 -9.513 8.437 -8.187 1.00 0.00 C ATOM 215 NE ARG A 18 -8.430 7.700 -8.833 1.00 0.00 N ATOM 216 CZ ARG A 18 -8.468 7.297 -10.098 1.00 0.00 C ATOM 217 NH1 ARG A 18 -9.529 7.558 -10.849 1.00 0.00 N ATOM 218 NH2 ARG A 18 -7.443 6.631 -10.615 1.00 0.00 N ATOM 0 H ARG A 18 -14.381 8.216 -6.479 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.228 6.930 -8.887 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.993 8.907 -8.515 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.090 8.760 -6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.369 7.196 -6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.639 6.612 -8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.941 9.147 -8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.111 9.018 -7.357 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.599 7.483 -8.283 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.319 8.070 -10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.555 7.247 -11.820 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.625 6.428 -10.041 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.473 6.322 -11.587 1.00 0.00 H new ATOM 232 N VAL A 19 -12.759 4.827 -7.690 1.00 0.00 N ATOM 233 CA VAL A 19 -12.509 3.558 -7.017 1.00 0.00 C ATOM 234 C VAL A 19 -11.142 2.997 -7.393 1.00 0.00 C ATOM 235 O VAL A 19 -10.900 2.646 -8.548 1.00 0.00 O ATOM 236 CB VAL A 19 -13.591 2.517 -7.362 1.00 0.00 C ATOM 237 CG1 VAL A 19 -13.064 1.107 -7.146 1.00 0.00 C ATOM 238 CG2 VAL A 19 -14.845 2.759 -6.536 1.00 0.00 C ATOM 0 H VAL A 19 -12.834 4.759 -8.705 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.535 3.757 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.851 2.624 -8.415 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.842 0.386 -7.395 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.197 0.941 -7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.774 0.983 -6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.599 2.015 -6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.603 2.680 -5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.233 3.756 -6.747 1.00 0.00 H new ATOM 248 N ILE A 20 -10.252 2.915 -6.409 1.00 0.00 N ATOM 249 CA ILE A 20 -8.909 2.395 -6.636 1.00 0.00 C ATOM 250 C ILE A 20 -8.874 0.878 -6.482 1.00 0.00 C ATOM 251 O ILE A 20 -8.924 0.355 -5.368 1.00 0.00 O ATOM 252 CB ILE A 20 -7.891 3.022 -5.666 1.00 0.00 C ATOM 253 CG1 ILE A 20 -8.098 4.536 -5.584 1.00 0.00 C ATOM 254 CG2 ILE A 20 -6.471 2.699 -6.106 1.00 0.00 C ATOM 255 CD1 ILE A 20 -7.806 5.257 -6.882 1.00 0.00 C ATOM 0 H ILE A 20 -10.437 3.202 -5.448 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.636 2.661 -7.657 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.048 2.598 -4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.128 4.738 -5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.457 4.940 -4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.763 3.149 -5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.331 1.618 -6.118 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.300 3.098 -7.106 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.974 6.326 -6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.768 5.085 -7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.465 4.880 -7.664 1.00 0.00 H new ATOM 267 N LYS A 21 -8.786 0.176 -7.607 1.00 0.00 N ATOM 268 CA LYS A 21 -8.740 -1.281 -7.598 1.00 0.00 C ATOM 269 C LYS A 21 -7.328 -1.779 -7.305 1.00 0.00 C ATOM 270 O LYS A 21 -6.393 -1.497 -8.052 1.00 0.00 O ATOM 271 CB LYS A 21 -9.219 -1.835 -8.942 1.00 0.00 C ATOM 272 CG LYS A 21 -10.720 -1.725 -9.145 1.00 0.00 C ATOM 273 CD LYS A 21 -11.442 -2.967 -8.651 1.00 0.00 C ATOM 274 CE LYS A 21 -11.909 -2.805 -7.212 1.00 0.00 C ATOM 275 NZ LYS A 21 -12.724 -3.966 -6.760 1.00 0.00 N ATOM 0 H LYS A 21 -8.745 0.593 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.403 -1.636 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.712 -1.302 -9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.926 -2.882 -9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.096 -0.850 -8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.935 -1.575 -10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.300 -3.170 -9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.778 -3.828 -8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.043 -2.693 -6.560 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.497 -1.891 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.023 -3.818 -5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.564 -4.058 -7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.155 -4.835 -6.822 1.00 0.00 H new ATOM 289 N ALA A 22 -7.183 -2.523 -6.213 1.00 0.00 N ATOM 290 CA ALA A 22 -5.887 -3.063 -5.823 1.00 0.00 C ATOM 291 C ALA A 22 -6.048 -4.292 -4.935 1.00 0.00 C ATOM 292 O ALA A 22 -7.118 -4.526 -4.373 1.00 0.00 O ATOM 293 CB ALA A 22 -5.064 -1.999 -5.112 1.00 0.00 C ATOM 0 H ALA A 22 -7.948 -2.765 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.362 -3.368 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.098 -2.416 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.910 -1.152 -5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.593 -1.666 -4.219 1.00 0.00 H new ATOM 299 N MET A 23 -4.980 -5.073 -4.813 1.00 0.00 N ATOM 300 CA MET A 23 -5.005 -6.278 -3.992 1.00 0.00 C ATOM 301 C MET A 23 -6.313 -7.039 -4.182 1.00 0.00 C ATOM 302 O MET A 23 -6.802 -7.690 -3.260 1.00 0.00 O ATOM 303 CB MET A 23 -4.819 -5.919 -2.517 1.00 0.00 C ATOM 304 CG MET A 23 -3.629 -5.010 -2.257 1.00 0.00 C ATOM 305 SD MET A 23 -3.321 -4.753 -0.499 1.00 0.00 S ATOM 306 CE MET A 23 -1.767 -5.620 -0.297 1.00 0.00 C ATOM 0 H MET A 23 -4.087 -4.893 -5.272 1.00 0.00 H new ATOM 0 HA MET A 23 -4.183 -6.920 -4.308 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.724 -5.432 -2.153 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.697 -6.836 -1.941 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.740 -5.441 -2.718 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.802 -4.046 -2.736 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.444 -5.551 0.742 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.897 -6.668 -0.568 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.012 -5.169 -0.942 1.00 0.00 H new ATOM 316 N ASN A 24 -6.875 -6.951 -5.383 1.00 0.00 N ATOM 317 CA ASN A 24 -8.127 -7.630 -5.693 1.00 0.00 C ATOM 318 C ASN A 24 -9.268 -7.085 -4.838 1.00 0.00 C ATOM 319 O ASN A 24 -10.088 -7.844 -4.323 1.00 0.00 O ATOM 320 CB ASN A 24 -7.983 -9.137 -5.470 1.00 0.00 C ATOM 321 CG ASN A 24 -6.958 -9.763 -6.396 1.00 0.00 C ATOM 322 OD1 ASN A 24 -5.897 -10.206 -5.957 1.00 0.00 O ATOM 323 ND2 ASN A 24 -7.272 -9.803 -7.686 1.00 0.00 N ATOM 0 H ASN A 24 -6.483 -6.416 -6.158 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.362 -7.445 -6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.695 -9.323 -4.435 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.949 -9.618 -5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.622 -10.213 -8.357 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.163 -9.424 -8.006 1.00 0.00 H new ATOM 330 N ASN A 25 -9.312 -5.765 -4.693 1.00 0.00 N ATOM 331 CA ASN A 25 -10.352 -5.118 -3.901 1.00 0.00 C ATOM 332 C ASN A 25 -10.395 -3.619 -4.181 1.00 0.00 C ATOM 333 O ASN A 25 -9.432 -3.044 -4.690 1.00 0.00 O ATOM 334 CB ASN A 25 -10.113 -5.363 -2.410 1.00 0.00 C ATOM 335 CG ASN A 25 -10.433 -6.787 -2.000 1.00 0.00 C ATOM 336 OD1 ASN A 25 -11.479 -7.328 -2.359 1.00 0.00 O ATOM 337 ND2 ASN A 25 -9.531 -7.402 -1.244 1.00 0.00 N ATOM 0 H ASN A 25 -8.640 -5.123 -5.113 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.312 -5.550 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.072 -5.144 -2.171 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.726 -4.674 -1.829 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.691 -8.361 -0.937 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.678 -6.915 -0.970 1.00 0.00 H new ATOM 344 N SER A 26 -11.518 -2.991 -3.845 1.00 0.00 N ATOM 345 CA SER A 26 -11.688 -1.560 -4.063 1.00 0.00 C ATOM 346 C SER A 26 -11.210 -0.765 -2.852 1.00 0.00 C ATOM 347 O SER A 26 -11.363 -1.201 -1.710 1.00 0.00 O ATOM 348 CB SER A 26 -13.155 -1.237 -4.352 1.00 0.00 C ATOM 349 OG SER A 26 -14.002 -1.774 -3.350 1.00 0.00 O ATOM 0 H SER A 26 -12.323 -3.451 -3.421 1.00 0.00 H new ATOM 0 HA SER A 26 -11.084 -1.275 -4.924 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.289 -0.157 -4.405 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.435 -1.642 -5.325 1.00 0.00 H new ATOM 0 HG SER A 26 -13.682 -1.494 -2.467 1.00 0.00 H new ATOM 355 N TRP A 27 -10.630 0.402 -3.109 1.00 0.00 N ATOM 356 CA TRP A 27 -10.129 1.258 -2.040 1.00 0.00 C ATOM 357 C TRP A 27 -10.261 2.730 -2.414 1.00 0.00 C ATOM 358 O TRP A 27 -10.619 3.063 -3.545 1.00 0.00 O ATOM 359 CB TRP A 27 -8.668 0.925 -1.735 1.00 0.00 C ATOM 360 CG TRP A 27 -8.376 -0.545 -1.756 1.00 0.00 C ATOM 361 CD1 TRP A 27 -8.577 -1.405 -2.798 1.00 0.00 C ATOM 362 CD2 TRP A 27 -7.833 -1.326 -0.687 1.00 0.00 C ATOM 363 NE1 TRP A 27 -8.192 -2.674 -2.441 1.00 0.00 N ATOM 364 CE2 TRP A 27 -7.731 -2.653 -1.151 1.00 0.00 C ATOM 365 CE3 TRP A 27 -7.421 -1.035 0.616 1.00 0.00 C ATOM 366 CZ2 TRP A 27 -7.235 -3.683 -0.356 1.00 0.00 C ATOM 367 CZ3 TRP A 27 -6.930 -2.059 1.404 1.00 0.00 C ATOM 368 CH2 TRP A 27 -6.839 -3.369 0.916 1.00 0.00 C ATOM 0 H TRP A 27 -10.495 0.777 -4.048 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.730 1.074 -1.149 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.029 1.425 -2.463 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.409 1.326 -0.755 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -8.980 -1.128 -3.761 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.241 -3.499 -3.039 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.485 -0.028 1.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.165 -4.694 -0.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.611 -1.845 2.413 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.449 -4.146 1.556 1.00 0.00 H new ATOM 379 N HIS A 28 -9.969 3.608 -1.460 1.00 0.00 N ATOM 380 CA HIS A 28 -10.055 5.045 -1.691 1.00 0.00 C ATOM 381 C HIS A 28 -8.727 5.593 -2.206 1.00 0.00 C ATOM 382 O HIS A 28 -7.665 5.002 -2.007 1.00 0.00 O ATOM 383 CB HIS A 28 -10.452 5.768 -0.403 1.00 0.00 C ATOM 384 CG HIS A 28 -11.908 5.646 -0.073 1.00 0.00 C ATOM 385 ND1 HIS A 28 -12.369 5.099 1.106 1.00 0.00 N ATOM 386 CD2 HIS A 28 -13.008 6.006 -0.774 1.00 0.00 C ATOM 387 CE1 HIS A 28 -13.689 5.126 1.114 1.00 0.00 C ATOM 388 NE2 HIS A 28 -14.102 5.672 -0.015 1.00 0.00 N ATOM 0 H HIS A 28 -9.671 3.349 -0.520 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.819 5.221 -2.448 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.866 5.368 0.424 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.196 6.823 -0.495 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.023 6.470 -1.749 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.323 4.763 1.909 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.076 5.821 -0.280 1.00 0.00 H new ATOM 396 N PRO A 29 -8.786 6.748 -2.886 1.00 0.00 N ATOM 397 CA PRO A 29 -7.597 7.399 -3.444 1.00 0.00 C ATOM 398 C PRO A 29 -6.686 7.969 -2.361 1.00 0.00 C ATOM 399 O PRO A 29 -5.624 8.516 -2.656 1.00 0.00 O ATOM 400 CB PRO A 29 -8.179 8.526 -4.300 1.00 0.00 C ATOM 401 CG PRO A 29 -9.507 8.818 -3.690 1.00 0.00 C ATOM 402 CD PRO A 29 -10.017 7.507 -3.161 1.00 0.00 C ATOM 0 HA PRO A 29 -6.973 6.700 -4.001 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.535 9.406 -4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.280 8.220 -5.341 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.416 9.553 -2.890 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.193 9.234 -4.428 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.615 7.643 -2.260 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.649 6.998 -3.889 1.00 0.00 H new ATOM 410 N GLU A 30 -7.109 7.835 -1.108 1.00 0.00 N ATOM 411 CA GLU A 30 -6.330 8.338 0.018 1.00 0.00 C ATOM 412 C GLU A 30 -6.034 7.222 1.016 1.00 0.00 C ATOM 413 O GLU A 30 -5.085 7.307 1.796 1.00 0.00 O ATOM 414 CB GLU A 30 -7.077 9.476 0.716 1.00 0.00 C ATOM 415 CG GLU A 30 -8.312 9.019 1.475 1.00 0.00 C ATOM 416 CD GLU A 30 -8.889 10.107 2.359 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.825 11.290 1.963 1.00 0.00 O ATOM 418 OE2 GLU A 30 -9.406 9.775 3.446 1.00 0.00 O ATOM 0 H GLU A 30 -7.985 7.383 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.384 8.717 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.398 9.973 1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.371 10.216 -0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.071 8.693 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.058 8.154 2.088 1.00 0.00 H new ATOM 425 N CYS A 31 -6.853 6.176 0.985 1.00 0.00 N ATOM 426 CA CYS A 31 -6.681 5.043 1.886 1.00 0.00 C ATOM 427 C CYS A 31 -5.523 4.158 1.433 1.00 0.00 C ATOM 428 O CYS A 31 -4.579 3.919 2.186 1.00 0.00 O ATOM 429 CB CYS A 31 -7.969 4.220 1.955 1.00 0.00 C ATOM 430 SG CYS A 31 -9.239 4.918 3.059 1.00 0.00 S ATOM 0 H CYS A 31 -7.643 6.090 0.345 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.452 5.431 2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.385 4.131 0.951 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.726 3.212 2.290 1.00 0.00 H new ATOM 435 N PHE A 32 -5.602 3.676 0.197 1.00 0.00 N ATOM 436 CA PHE A 32 -4.561 2.818 -0.357 1.00 0.00 C ATOM 437 C PHE A 32 -3.211 3.527 -0.351 1.00 0.00 C ATOM 438 O PHE A 32 -2.820 4.150 -1.338 1.00 0.00 O ATOM 439 CB PHE A 32 -4.923 2.397 -1.782 1.00 0.00 C ATOM 440 CG PHE A 32 -4.189 1.173 -2.251 1.00 0.00 C ATOM 441 CD1 PHE A 32 -4.187 0.016 -1.487 1.00 0.00 C ATOM 442 CD2 PHE A 32 -3.502 1.178 -3.454 1.00 0.00 C ATOM 443 CE1 PHE A 32 -3.512 -1.112 -1.916 1.00 0.00 C ATOM 444 CE2 PHE A 32 -2.826 0.053 -3.887 1.00 0.00 C ATOM 445 CZ PHE A 32 -2.832 -1.093 -3.117 1.00 0.00 C ATOM 0 H PHE A 32 -6.376 3.865 -0.440 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.486 1.929 0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.996 2.210 -1.836 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.709 3.222 -2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.718 -0.004 -0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.495 2.072 -4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.517 -2.007 -1.312 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.294 0.070 -4.827 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.305 -1.974 -3.454 1.00 0.00 H new ATOM 455 N ARG A 33 -2.502 3.428 0.769 1.00 0.00 N ATOM 456 CA ARG A 33 -1.196 4.062 0.906 1.00 0.00 C ATOM 457 C ARG A 33 -0.113 3.022 1.181 1.00 0.00 C ATOM 458 O ARG A 33 -0.410 1.873 1.510 1.00 0.00 O ATOM 459 CB ARG A 33 -1.222 5.097 2.032 1.00 0.00 C ATOM 460 CG ARG A 33 -2.281 6.171 1.847 1.00 0.00 C ATOM 461 CD ARG A 33 -2.225 7.206 2.960 1.00 0.00 C ATOM 462 NE ARG A 33 -1.341 8.320 2.627 1.00 0.00 N ATOM 463 CZ ARG A 33 -0.826 9.145 3.532 1.00 0.00 C ATOM 464 NH1 ARG A 33 -1.106 8.982 4.818 1.00 0.00 N ATOM 465 NH2 ARG A 33 -0.030 10.136 3.151 1.00 0.00 N ATOM 0 H ARG A 33 -2.810 2.915 1.595 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.964 4.564 -0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.396 4.587 2.979 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.243 5.572 2.101 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.138 6.662 0.884 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.269 5.710 1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.229 7.585 3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.880 6.732 3.879 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.106 8.473 1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.718 8.222 5.114 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.709 9.617 5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.187 10.265 2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.365 10.769 3.846 1.00 0.00 H new ATOM 479 N CYS A 34 1.143 3.433 1.043 1.00 0.00 N ATOM 480 CA CYS A 34 2.270 2.538 1.275 1.00 0.00 C ATOM 481 C CYS A 34 2.233 1.973 2.692 1.00 0.00 C ATOM 482 O CYS A 34 1.513 2.477 3.554 1.00 0.00 O ATOM 483 CB CYS A 34 3.590 3.276 1.044 1.00 0.00 C ATOM 484 SG CYS A 34 5.036 2.180 0.880 1.00 0.00 S ATOM 0 H CYS A 34 1.406 4.380 0.772 1.00 0.00 H new ATOM 0 HA CYS A 34 2.195 1.710 0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.502 3.881 0.142 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.760 3.962 1.873 1.00 0.00 H new ATOM 489 N ASP A 35 3.013 0.923 2.925 1.00 0.00 N ATOM 490 CA ASP A 35 3.071 0.289 4.237 1.00 0.00 C ATOM 491 C ASP A 35 4.349 0.679 4.973 1.00 0.00 C ATOM 492 O ASP A 35 4.599 0.223 6.090 1.00 0.00 O ATOM 493 CB ASP A 35 2.992 -1.232 4.096 1.00 0.00 C ATOM 494 CG ASP A 35 2.758 -1.925 5.424 1.00 0.00 C ATOM 495 OD1 ASP A 35 1.594 -1.964 5.876 1.00 0.00 O ATOM 496 OD2 ASP A 35 3.738 -2.428 6.011 1.00 0.00 O ATOM 0 H ASP A 35 3.614 0.493 2.222 1.00 0.00 H new ATOM 0 HA ASP A 35 2.218 0.637 4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.186 -1.489 3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.918 -1.602 3.655 1.00 0.00 H new ATOM 501 N LEU A 36 5.156 1.523 4.340 1.00 0.00 N ATOM 502 CA LEU A 36 6.410 1.974 4.933 1.00 0.00 C ATOM 503 C LEU A 36 6.463 3.496 5.004 1.00 0.00 C ATOM 504 O LEU A 36 7.042 4.066 5.930 1.00 0.00 O ATOM 505 CB LEU A 36 7.598 1.447 4.126 1.00 0.00 C ATOM 506 CG LEU A 36 7.831 -0.063 4.181 1.00 0.00 C ATOM 507 CD1 LEU A 36 8.461 -0.554 2.887 1.00 0.00 C ATOM 508 CD2 LEU A 36 8.705 -0.425 5.373 1.00 0.00 C ATOM 0 H LEU A 36 4.964 1.909 3.416 1.00 0.00 H new ATOM 0 HA LEU A 36 6.465 1.580 5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.460 1.735 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.501 1.947 4.478 1.00 0.00 H new ATOM 0 HG LEU A 36 6.866 -0.556 4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.619 -1.631 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.798 -0.329 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.418 -0.054 2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.860 -1.504 5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.668 0.078 5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.214 -0.109 6.293 1.00 0.00 H new ATOM 520 N CYS A 37 5.855 4.151 4.020 1.00 0.00 N ATOM 521 CA CYS A 37 5.830 5.607 3.971 1.00 0.00 C ATOM 522 C CYS A 37 4.397 6.125 3.900 1.00 0.00 C ATOM 523 O CYS A 37 4.159 7.332 3.954 1.00 0.00 O ATOM 524 CB CYS A 37 6.626 6.111 2.765 1.00 0.00 C ATOM 525 SG CYS A 37 5.862 5.725 1.156 1.00 0.00 S ATOM 0 H CYS A 37 5.373 3.695 3.245 1.00 0.00 H new ATOM 0 HA CYS A 37 6.289 5.984 4.885 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.746 7.191 2.848 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.625 5.676 2.795 1.00 0.00 H new ATOM 530 N GLN A 38 3.446 5.204 3.778 1.00 0.00 N ATOM 531 CA GLN A 38 2.036 5.568 3.699 1.00 0.00 C ATOM 532 C GLN A 38 1.799 6.590 2.592 1.00 0.00 C ATOM 533 O GLN A 38 1.173 7.626 2.815 1.00 0.00 O ATOM 534 CB GLN A 38 1.557 6.130 5.039 1.00 0.00 C ATOM 535 CG GLN A 38 1.805 5.197 6.214 1.00 0.00 C ATOM 536 CD GLN A 38 0.629 4.282 6.490 1.00 0.00 C ATOM 537 OE1 GLN A 38 -0.506 4.737 6.632 1.00 0.00 O ATOM 538 NE2 GLN A 38 0.895 2.983 6.570 1.00 0.00 N ATOM 0 H GLN A 38 3.626 4.201 3.732 1.00 0.00 H new ATOM 0 HA GLN A 38 1.467 4.668 3.466 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.060 7.078 5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.490 6.343 4.974 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.691 4.594 6.014 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.017 5.789 7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.851 2.650 6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.143 2.319 6.756 1.00 0.00 H new ATOM 547 N GLU A 39 2.303 6.291 1.399 1.00 0.00 N ATOM 548 CA GLU A 39 2.146 7.185 0.258 1.00 0.00 C ATOM 549 C GLU A 39 1.024 6.705 -0.658 1.00 0.00 C ATOM 550 O GLU A 39 0.981 5.538 -1.048 1.00 0.00 O ATOM 551 CB GLU A 39 3.456 7.280 -0.527 1.00 0.00 C ATOM 552 CG GLU A 39 3.309 7.968 -1.874 1.00 0.00 C ATOM 553 CD GLU A 39 4.603 8.599 -2.351 1.00 0.00 C ATOM 554 OE1 GLU A 39 5.590 7.858 -2.539 1.00 0.00 O ATOM 555 OE2 GLU A 39 4.629 9.834 -2.536 1.00 0.00 O ATOM 0 H GLU A 39 2.823 5.437 1.198 1.00 0.00 H new ATOM 0 HA GLU A 39 1.885 8.174 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.189 7.822 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.851 6.276 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.969 7.243 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.539 8.736 -1.803 1.00 0.00 H new ATOM 562 N VAL A 40 0.117 7.615 -0.999 1.00 0.00 N ATOM 563 CA VAL A 40 -1.006 7.286 -1.869 1.00 0.00 C ATOM 564 C VAL A 40 -0.540 6.516 -3.099 1.00 0.00 C ATOM 565 O VAL A 40 0.190 7.046 -3.938 1.00 0.00 O ATOM 566 CB VAL A 40 -1.753 8.554 -2.324 1.00 0.00 C ATOM 567 CG1 VAL A 40 -2.955 8.187 -3.182 1.00 0.00 C ATOM 568 CG2 VAL A 40 -2.179 9.382 -1.121 1.00 0.00 C ATOM 0 H VAL A 40 0.138 8.586 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.685 6.662 -1.288 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.075 9.156 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.470 9.095 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.620 7.639 -4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.637 7.563 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.705 10.274 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.840 8.790 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.298 9.676 -0.551 1.00 0.00 H new ATOM 578 N LEU A 41 -0.966 5.262 -3.201 1.00 0.00 N ATOM 579 CA LEU A 41 -0.593 4.416 -4.330 1.00 0.00 C ATOM 580 C LEU A 41 -1.761 4.253 -5.298 1.00 0.00 C ATOM 581 O LEU A 41 -2.084 3.142 -5.715 1.00 0.00 O ATOM 582 CB LEU A 41 -0.132 3.045 -3.835 1.00 0.00 C ATOM 583 CG LEU A 41 0.499 3.011 -2.442 1.00 0.00 C ATOM 584 CD1 LEU A 41 0.331 1.637 -1.813 1.00 0.00 C ATOM 585 CD2 LEU A 41 1.970 3.391 -2.513 1.00 0.00 C ATOM 0 H LEU A 41 -1.570 4.808 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 41 0.228 4.900 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.989 2.372 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.590 2.647 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.014 3.740 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.786 1.632 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.730 1.404 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.817 0.888 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.402 3.361 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.497 2.687 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.067 4.397 -2.920 1.00 0.00 H new ATOM 597 N ALA A 42 -2.389 5.370 -5.652 1.00 0.00 N ATOM 598 CA ALA A 42 -3.518 5.351 -6.574 1.00 0.00 C ATOM 599 C ALA A 42 -3.067 5.648 -8.000 1.00 0.00 C ATOM 600 O ALA A 42 -3.375 4.899 -8.927 1.00 0.00 O ATOM 601 CB ALA A 42 -4.576 6.353 -6.133 1.00 0.00 C ATOM 0 H ALA A 42 -2.135 6.298 -5.314 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.951 4.351 -6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.413 6.328 -6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.928 6.095 -5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.145 7.354 -6.118 1.00 0.00 H new ATOM 607 N ASP A 43 -2.338 6.746 -8.168 1.00 0.00 N ATOM 608 CA ASP A 43 -1.844 7.141 -9.482 1.00 0.00 C ATOM 609 C ASP A 43 -0.418 6.644 -9.700 1.00 0.00 C ATOM 610 O ASP A 43 -0.101 6.078 -10.746 1.00 0.00 O ATOM 611 CB ASP A 43 -1.895 8.663 -9.633 1.00 0.00 C ATOM 612 CG ASP A 43 -3.275 9.226 -9.354 1.00 0.00 C ATOM 613 OD1 ASP A 43 -3.883 8.831 -8.337 1.00 0.00 O ATOM 614 OD2 ASP A 43 -3.746 10.062 -10.153 1.00 0.00 O ATOM 0 H ASP A 43 -2.076 7.378 -7.411 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.487 6.686 -10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.176 9.117 -8.951 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.592 8.935 -10.644 1.00 0.00 H new ATOM 619 N ILE A 44 0.436 6.860 -8.705 1.00 0.00 N ATOM 620 CA ILE A 44 1.828 6.433 -8.788 1.00 0.00 C ATOM 621 C ILE A 44 1.931 4.917 -8.912 1.00 0.00 C ATOM 622 O ILE A 44 2.900 4.393 -9.459 1.00 0.00 O ATOM 623 CB ILE A 44 2.632 6.893 -7.558 1.00 0.00 C ATOM 624 CG1 ILE A 44 2.074 6.248 -6.287 1.00 0.00 C ATOM 625 CG2 ILE A 44 2.606 8.410 -7.444 1.00 0.00 C ATOM 626 CD1 ILE A 44 2.932 6.483 -5.064 1.00 0.00 C ATOM 0 H ILE A 44 0.189 7.328 -7.833 1.00 0.00 H new ATOM 0 HA ILE A 44 2.248 6.897 -9.680 1.00 0.00 H new ATOM 0 HB ILE A 44 3.668 6.576 -7.680 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.074 6.639 -6.100 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.972 5.175 -6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.179 8.719 -6.570 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.045 8.850 -8.339 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.575 8.750 -7.341 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.476 5.998 -4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.926 6.067 -5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.014 7.554 -4.877 1.00 0.00 H new ATOM 638 N GLY A 45 0.923 4.216 -8.400 1.00 0.00 N ATOM 639 CA GLY A 45 0.919 2.766 -8.465 1.00 0.00 C ATOM 640 C GLY A 45 1.446 2.128 -7.195 1.00 0.00 C ATOM 641 O GLY A 45 1.994 2.811 -6.329 1.00 0.00 O ATOM 0 H GLY A 45 0.110 4.627 -7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.097 2.416 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.526 2.441 -9.310 1.00 0.00 H new ATOM 645 N PHE A 46 1.278 0.815 -7.081 1.00 0.00 N ATOM 646 CA PHE A 46 1.738 0.084 -5.906 1.00 0.00 C ATOM 647 C PHE A 46 2.485 -1.183 -6.311 1.00 0.00 C ATOM 648 O PHE A 46 2.480 -1.574 -7.478 1.00 0.00 O ATOM 649 CB PHE A 46 0.553 -0.275 -5.006 1.00 0.00 C ATOM 650 CG PHE A 46 -0.394 -1.262 -5.626 1.00 0.00 C ATOM 651 CD1 PHE A 46 -1.214 -0.888 -6.678 1.00 0.00 C ATOM 652 CD2 PHE A 46 -0.464 -2.564 -5.157 1.00 0.00 C ATOM 653 CE1 PHE A 46 -2.086 -1.794 -7.252 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.333 -3.474 -5.727 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.147 -3.088 -6.775 1.00 0.00 C ATOM 0 H PHE A 46 0.827 0.235 -7.788 1.00 0.00 H new ATOM 0 HA PHE A 46 2.423 0.728 -5.354 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.930 -0.685 -4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.006 0.635 -4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.171 0.123 -7.054 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.168 -2.871 -4.337 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.719 -1.490 -8.073 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.376 -4.487 -5.354 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.829 -3.797 -7.220 1.00 0.00 H new ATOM 665 N VAL A 47 3.128 -1.821 -5.338 1.00 0.00 N ATOM 666 CA VAL A 47 3.879 -3.044 -5.592 1.00 0.00 C ATOM 667 C VAL A 47 3.582 -4.101 -4.535 1.00 0.00 C ATOM 668 O VAL A 47 3.949 -3.951 -3.369 1.00 0.00 O ATOM 669 CB VAL A 47 5.396 -2.775 -5.620 1.00 0.00 C ATOM 670 CG1 VAL A 47 6.154 -4.031 -6.021 1.00 0.00 C ATOM 671 CG2 VAL A 47 5.715 -1.626 -6.564 1.00 0.00 C ATOM 0 H VAL A 47 3.144 -1.511 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 47 3.564 -3.412 -6.568 1.00 0.00 H new ATOM 0 HB VAL A 47 5.716 -2.491 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.224 -3.822 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.949 -4.825 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.833 -4.348 -7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.791 -1.449 -6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.382 -1.879 -7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.202 -0.725 -6.227 1.00 0.00 H new ATOM 681 N LYS A 48 2.913 -5.173 -4.949 1.00 0.00 N ATOM 682 CA LYS A 48 2.566 -6.258 -4.040 1.00 0.00 C ATOM 683 C LYS A 48 3.817 -6.989 -3.563 1.00 0.00 C ATOM 684 O LYS A 48 4.575 -7.531 -4.367 1.00 0.00 O ATOM 685 CB LYS A 48 1.618 -7.243 -4.726 1.00 0.00 C ATOM 686 CG LYS A 48 0.149 -6.932 -4.497 1.00 0.00 C ATOM 687 CD LYS A 48 -0.270 -7.238 -3.069 1.00 0.00 C ATOM 688 CE LYS A 48 -0.369 -8.737 -2.826 1.00 0.00 C ATOM 689 NZ LYS A 48 0.955 -9.336 -2.504 1.00 0.00 N ATOM 0 H LYS A 48 2.600 -5.313 -5.910 1.00 0.00 H new ATOM 0 HA LYS A 48 2.066 -5.826 -3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.819 -7.241 -5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.829 -8.249 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.040 -5.881 -4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.459 -7.515 -5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.450 -6.803 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.233 -6.771 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.062 -8.927 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.781 -9.222 -3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.841 -10.045 -1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.346 -9.791 -3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.604 -8.590 -2.181 1.00 0.00 H new ATOM 703 N ASN A 49 4.027 -7.001 -2.251 1.00 0.00 N ATOM 704 CA ASN A 49 5.186 -7.667 -1.667 1.00 0.00 C ATOM 705 C ASN A 49 4.885 -8.138 -0.248 1.00 0.00 C ATOM 706 O ASN A 49 4.365 -7.381 0.571 1.00 0.00 O ATOM 707 CB ASN A 49 6.391 -6.725 -1.660 1.00 0.00 C ATOM 708 CG ASN A 49 7.707 -7.469 -1.775 1.00 0.00 C ATOM 709 OD1 ASN A 49 7.740 -8.640 -2.154 1.00 0.00 O ATOM 710 ND2 ASN A 49 8.801 -6.791 -1.446 1.00 0.00 N ATOM 0 H ASN A 49 3.409 -6.557 -1.571 1.00 0.00 H new ATOM 0 HA ASN A 49 5.419 -8.539 -2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.302 -6.020 -2.486 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.386 -6.140 -0.740 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.715 -7.240 -1.502 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.727 -5.822 -1.137 1.00 0.00 H new ATOM 717 N ALA A 50 5.217 -9.393 0.036 1.00 0.00 N ATOM 718 CA ALA A 50 4.986 -9.964 1.357 1.00 0.00 C ATOM 719 C ALA A 50 3.561 -9.695 1.830 1.00 0.00 C ATOM 720 O ALA A 50 3.311 -9.547 3.025 1.00 0.00 O ATOM 721 CB ALA A 50 5.990 -9.408 2.356 1.00 0.00 C ATOM 0 H ALA A 50 5.647 -10.034 -0.631 1.00 0.00 H new ATOM 0 HA ALA A 50 5.120 -11.043 1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.805 -9.843 3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.001 -9.657 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.884 -8.325 2.414 1.00 0.00 H new ATOM 727 N GLY A 51 2.630 -9.631 0.883 1.00 0.00 N ATOM 728 CA GLY A 51 1.242 -9.378 1.223 1.00 0.00 C ATOM 729 C GLY A 51 1.020 -7.972 1.745 1.00 0.00 C ATOM 730 O GLY A 51 0.121 -7.738 2.553 1.00 0.00 O ATOM 0 H GLY A 51 2.812 -9.750 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.620 -9.538 0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.919 -10.097 1.976 1.00 0.00 H new ATOM 734 N ARG A 52 1.841 -7.035 1.283 1.00 0.00 N ATOM 735 CA ARG A 52 1.732 -5.645 1.711 1.00 0.00 C ATOM 736 C ARG A 52 1.844 -4.699 0.519 1.00 0.00 C ATOM 737 O ARG A 52 2.608 -4.947 -0.414 1.00 0.00 O ATOM 738 CB ARG A 52 2.817 -5.319 2.738 1.00 0.00 C ATOM 739 CG ARG A 52 2.752 -6.181 3.988 1.00 0.00 C ATOM 740 CD ARG A 52 4.013 -6.043 4.826 1.00 0.00 C ATOM 741 NE ARG A 52 4.145 -7.125 5.799 1.00 0.00 N ATOM 742 CZ ARG A 52 4.923 -7.056 6.873 1.00 0.00 C ATOM 743 NH1 ARG A 52 5.636 -5.964 7.111 1.00 0.00 N ATOM 744 NH2 ARG A 52 4.990 -8.082 7.712 1.00 0.00 N ATOM 0 H ARG A 52 2.589 -7.213 0.613 1.00 0.00 H new ATOM 0 HA ARG A 52 0.753 -5.508 2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.795 -5.442 2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.731 -4.271 3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.885 -5.895 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.614 -7.225 3.705 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.884 -6.036 4.171 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.999 -5.086 5.348 1.00 0.00 H new ATOM 0 HE ARG A 52 3.610 -7.980 5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.588 -5.173 6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.233 -5.914 7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.444 -8.924 7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.588 -8.028 8.537 1.00 0.00 H new ATOM 758 N HIS A 53 1.076 -3.615 0.556 1.00 0.00 N ATOM 759 CA HIS A 53 1.088 -2.632 -0.521 1.00 0.00 C ATOM 760 C HIS A 53 2.176 -1.586 -0.290 1.00 0.00 C ATOM 761 O HIS A 53 2.102 -0.798 0.654 1.00 0.00 O ATOM 762 CB HIS A 53 -0.275 -1.950 -0.634 1.00 0.00 C ATOM 763 CG HIS A 53 -0.751 -1.346 0.652 1.00 0.00 C ATOM 764 ND1 HIS A 53 -0.021 -1.394 1.821 1.00 0.00 N ATOM 765 CD2 HIS A 53 -1.890 -0.677 0.948 1.00 0.00 C ATOM 766 CE1 HIS A 53 -0.692 -0.781 2.781 1.00 0.00 C ATOM 767 NE2 HIS A 53 -1.829 -0.337 2.277 1.00 0.00 N ATOM 0 H HIS A 53 0.437 -3.395 1.320 1.00 0.00 H new ATOM 0 HA HIS A 53 1.302 -3.154 -1.453 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.220 -1.170 -1.394 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.009 -2.679 -0.977 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.697 -0.452 0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.366 -0.663 3.804 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -2.546 0.175 2.791 1.00 0.00 H new ATOM 776 N LEU A 54 3.183 -1.586 -1.155 1.00 0.00 N ATOM 777 CA LEU A 54 4.287 -0.639 -1.045 1.00 0.00 C ATOM 778 C LEU A 54 4.462 0.146 -2.341 1.00 0.00 C ATOM 779 O LEU A 54 3.905 -0.215 -3.378 1.00 0.00 O ATOM 780 CB LEU A 54 5.584 -1.373 -0.701 1.00 0.00 C ATOM 781 CG LEU A 54 5.431 -2.664 0.104 1.00 0.00 C ATOM 782 CD1 LEU A 54 6.723 -3.465 0.079 1.00 0.00 C ATOM 783 CD2 LEU A 54 5.020 -2.355 1.536 1.00 0.00 C ATOM 0 H LEU A 54 3.258 -2.232 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 54 4.052 0.063 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.103 -1.607 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.225 -0.693 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 54 4.646 -3.265 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.595 -4.380 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.974 -3.719 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.528 -2.871 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.916 -3.286 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.781 -1.733 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.068 -1.824 1.535 1.00 0.00 H new ATOM 795 N CYS A 55 5.241 1.221 -2.275 1.00 0.00 N ATOM 796 CA CYS A 55 5.492 2.057 -3.443 1.00 0.00 C ATOM 797 C CYS A 55 6.853 1.741 -4.055 1.00 0.00 C ATOM 798 O CYS A 55 7.792 1.372 -3.349 1.00 0.00 O ATOM 799 CB CYS A 55 5.422 3.537 -3.061 1.00 0.00 C ATOM 800 SG CYS A 55 6.779 4.090 -1.978 1.00 0.00 S ATOM 0 H CYS A 55 5.709 1.534 -1.425 1.00 0.00 H new ATOM 0 HA CYS A 55 4.722 1.844 -4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.430 4.137 -3.971 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.472 3.728 -2.562 1.00 0.00 H new ATOM 805 N ARG A 56 6.952 1.890 -5.372 1.00 0.00 N ATOM 806 CA ARG A 56 8.198 1.620 -6.080 1.00 0.00 C ATOM 807 C ARG A 56 9.403 2.008 -5.227 1.00 0.00 C ATOM 808 O ARG A 56 10.317 1.215 -5.003 1.00 0.00 O ATOM 809 CB ARG A 56 8.231 2.383 -7.406 1.00 0.00 C ATOM 810 CG ARG A 56 7.877 1.526 -8.610 1.00 0.00 C ATOM 811 CD ARG A 56 9.044 0.647 -9.032 1.00 0.00 C ATOM 812 NE ARG A 56 10.020 1.382 -9.832 1.00 0.00 N ATOM 813 CZ ARG A 56 10.873 0.799 -10.667 1.00 0.00 C ATOM 814 NH1 ARG A 56 10.870 -0.519 -10.811 1.00 0.00 N ATOM 815 NH2 ARG A 56 11.732 1.535 -11.361 1.00 0.00 N ATOM 0 H ARG A 56 6.185 2.196 -5.970 1.00 0.00 H new ATOM 0 HA ARG A 56 8.248 0.550 -6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.537 3.221 -7.351 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.227 2.803 -7.549 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.017 0.900 -8.372 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.585 2.168 -9.441 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.533 0.242 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.670 -0.201 -9.605 1.00 0.00 H new ATOM 0 HE ARG A 56 10.048 2.398 -9.745 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.211 -1.089 -10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.526 -0.963 -11.453 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.738 2.549 -11.254 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.387 1.086 -12.002 1.00 0.00 H new ATOM 829 N PRO A 57 9.405 3.258 -4.740 1.00 0.00 N ATOM 830 CA PRO A 57 10.491 3.780 -3.905 1.00 0.00 C ATOM 831 C PRO A 57 10.867 2.823 -2.779 1.00 0.00 C ATOM 832 O PRO A 57 11.977 2.292 -2.746 1.00 0.00 O ATOM 833 CB PRO A 57 9.909 5.075 -3.335 1.00 0.00 C ATOM 834 CG PRO A 57 8.887 5.502 -4.331 1.00 0.00 C ATOM 835 CD PRO A 57 8.348 4.258 -4.967 1.00 0.00 C ATOM 0 HA PRO A 57 11.410 3.924 -4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.462 4.910 -2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.681 5.834 -3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.089 6.065 -3.847 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.330 6.158 -5.081 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.405 3.953 -4.513 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.157 4.403 -6.030 1.00 0.00 H new ATOM 843 N CYS A 58 9.935 2.607 -1.856 1.00 0.00 N ATOM 844 CA CYS A 58 10.168 1.714 -0.728 1.00 0.00 C ATOM 845 C CYS A 58 10.471 0.298 -1.208 1.00 0.00 C ATOM 846 O CYS A 58 11.582 -0.204 -1.033 1.00 0.00 O ATOM 847 CB CYS A 58 8.950 1.701 0.198 1.00 0.00 C ATOM 848 SG CYS A 58 8.558 3.321 0.934 1.00 0.00 S ATOM 0 H CYS A 58 9.011 3.039 -1.868 1.00 0.00 H new ATOM 0 HA CYS A 58 11.032 2.084 -0.176 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.084 1.350 -0.363 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.124 0.982 0.999 1.00 0.00 H new ATOM 853 N HIS A 59 9.476 -0.341 -1.815 1.00 0.00 N ATOM 854 CA HIS A 59 9.636 -1.699 -2.321 1.00 0.00 C ATOM 855 C HIS A 59 11.038 -1.907 -2.886 1.00 0.00 C ATOM 856 O HIS A 59 11.692 -2.907 -2.595 1.00 0.00 O ATOM 857 CB HIS A 59 8.591 -1.991 -3.399 1.00 0.00 C ATOM 858 CG HIS A 59 8.996 -3.075 -4.349 1.00 0.00 C ATOM 859 ND1 HIS A 59 9.298 -4.358 -3.942 1.00 0.00 N ATOM 860 CD2 HIS A 59 9.147 -3.064 -5.694 1.00 0.00 C ATOM 861 CE1 HIS A 59 9.619 -5.087 -4.995 1.00 0.00 C ATOM 862 NE2 HIS A 59 9.534 -4.326 -6.071 1.00 0.00 N ATOM 0 H HIS A 59 8.551 0.060 -1.968 1.00 0.00 H new ATOM 0 HA HIS A 59 9.492 -2.389 -1.490 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.654 -2.272 -2.918 1.00 0.00 H new ATOM 0 HB3 HIS A 59 8.398 -1.078 -3.963 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.992 -2.219 -6.349 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.903 -6.129 -4.979 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.725 -4.627 -7.027 1.00 0.00 H new ATOM 871 N ASN A 60 11.491 -0.956 -3.696 1.00 0.00 N ATOM 872 CA ASN A 60 12.815 -1.035 -4.303 1.00 0.00 C ATOM 873 C ASN A 60 13.903 -1.059 -3.234 1.00 0.00 C ATOM 874 O ASN A 60 14.879 -1.800 -3.345 1.00 0.00 O ATOM 875 CB ASN A 60 13.038 0.148 -5.247 1.00 0.00 C ATOM 876 CG ASN A 60 12.448 -0.091 -6.623 1.00 0.00 C ATOM 877 OD1 ASN A 60 12.561 -1.184 -7.178 1.00 0.00 O ATOM 878 ND2 ASN A 60 11.814 0.934 -7.181 1.00 0.00 N ATOM 0 H ASN A 60 10.961 -0.122 -3.947 1.00 0.00 H new ATOM 0 HA ASN A 60 12.871 -1.962 -4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.592 1.044 -4.814 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.107 0.338 -5.341 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.397 0.833 -8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.744 1.822 -6.684 1.00 0.00 H new ATOM 885 N ARG A 61 13.726 -0.245 -2.199 1.00 0.00 N ATOM 886 CA ARG A 61 14.692 -0.172 -1.110 1.00 0.00 C ATOM 887 C ARG A 61 14.734 -1.484 -0.331 1.00 0.00 C ATOM 888 O ARG A 61 15.799 -1.932 0.090 1.00 0.00 O ATOM 889 CB ARG A 61 14.345 0.982 -0.167 1.00 0.00 C ATOM 890 CG ARG A 61 14.475 2.353 -0.810 1.00 0.00 C ATOM 891 CD ARG A 61 13.913 3.445 0.088 1.00 0.00 C ATOM 892 NE ARG A 61 14.865 3.849 1.119 1.00 0.00 N ATOM 893 CZ ARG A 61 14.559 4.664 2.122 1.00 0.00 C ATOM 894 NH1 ARG A 61 13.334 5.159 2.229 1.00 0.00 N ATOM 895 NH2 ARG A 61 15.481 4.986 3.021 1.00 0.00 N ATOM 0 H ARG A 61 12.922 0.374 -2.092 1.00 0.00 H new ATOM 0 HA ARG A 61 15.676 0.005 -1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.324 0.853 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.997 0.936 0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.524 2.559 -1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.950 2.360 -1.765 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.646 4.311 -0.518 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.996 3.091 0.560 1.00 0.00 H new ATOM 0 HE ARG A 61 15.817 3.486 1.066 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.623 4.914 1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.102 5.785 3.001 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.425 4.607 2.942 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.246 5.612 3.791 1.00 0.00 H new ATOM 909 N GLU A 62 13.567 -2.092 -0.144 1.00 0.00 N ATOM 910 CA GLU A 62 13.471 -3.351 0.585 1.00 0.00 C ATOM 911 C GLU A 62 13.995 -4.510 -0.259 1.00 0.00 C ATOM 912 O GLU A 62 14.986 -5.151 0.092 1.00 0.00 O ATOM 913 CB GLU A 62 12.021 -3.620 0.995 1.00 0.00 C ATOM 914 CG GLU A 62 11.310 -2.398 1.552 1.00 0.00 C ATOM 915 CD GLU A 62 11.586 -2.184 3.027 1.00 0.00 C ATOM 916 OE1 GLU A 62 10.978 -2.895 3.854 1.00 0.00 O ATOM 917 OE2 GLU A 62 12.410 -1.305 3.355 1.00 0.00 O ATOM 0 H GLU A 62 12.676 -1.734 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 62 14.086 -3.269 1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.470 -3.988 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.005 -4.412 1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.624 -1.515 0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.236 -2.506 1.399 1.00 0.00 H new ATOM 924 N LYS A 63 13.322 -4.774 -1.374 1.00 0.00 N ATOM 925 CA LYS A 63 13.718 -5.854 -2.270 1.00 0.00 C ATOM 926 C LYS A 63 15.185 -5.723 -2.665 1.00 0.00 C ATOM 927 O LYS A 63 15.853 -6.717 -2.946 1.00 0.00 O ATOM 928 CB LYS A 63 12.839 -5.853 -3.523 1.00 0.00 C ATOM 929 CG LYS A 63 13.229 -4.792 -4.538 1.00 0.00 C ATOM 930 CD LYS A 63 12.769 -5.164 -5.938 1.00 0.00 C ATOM 931 CE LYS A 63 13.719 -4.628 -6.997 1.00 0.00 C ATOM 932 NZ LYS A 63 13.436 -5.207 -8.340 1.00 0.00 N ATOM 0 H LYS A 63 12.499 -4.254 -1.679 1.00 0.00 H new ATOM 0 HA LYS A 63 13.585 -6.798 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.893 -6.834 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.801 -5.698 -3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.791 -3.835 -4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.311 -4.662 -4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.701 -6.249 -6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.769 -4.767 -6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.635 -3.542 -7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.746 -4.856 -6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.105 -4.817 -9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.541 -6.241 -8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.464 -4.968 -8.623 1.00 0.00 H new ATOM 946 N ALA A 64 15.681 -4.489 -2.683 1.00 0.00 N ATOM 947 CA ALA A 64 17.070 -4.229 -3.040 1.00 0.00 C ATOM 948 C ALA A 64 17.990 -5.312 -2.488 1.00 0.00 C ATOM 949 O ALA A 64 18.204 -5.402 -1.279 1.00 0.00 O ATOM 950 CB ALA A 64 17.498 -2.861 -2.532 1.00 0.00 C ATOM 0 H ALA A 64 15.141 -3.654 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 64 17.149 -4.241 -4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.537 -2.680 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 64 16.866 -2.093 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.397 -2.828 -1.447 1.00 0.00 H new ATOM 956 N SER A 65 18.533 -6.133 -3.382 1.00 0.00 N ATOM 957 CA SER A 65 19.428 -7.213 -2.983 1.00 0.00 C ATOM 958 C SER A 65 20.729 -6.658 -2.412 1.00 0.00 C ATOM 959 O SER A 65 21.341 -5.762 -2.991 1.00 0.00 O ATOM 960 CB SER A 65 19.728 -8.122 -4.177 1.00 0.00 C ATOM 961 OG SER A 65 18.738 -9.127 -4.315 1.00 0.00 O ATOM 0 H SER A 65 18.369 -6.071 -4.387 1.00 0.00 H new ATOM 0 HA SER A 65 18.931 -7.796 -2.207 1.00 0.00 H new ATOM 0 HB2 SER A 65 19.775 -7.526 -5.089 1.00 0.00 H new ATOM 0 HB3 SER A 65 20.706 -8.586 -4.048 1.00 0.00 H new ATOM 0 HG SER A 65 18.952 -9.693 -5.086 1.00 0.00 H new ATOM 967 N GLY A 66 21.146 -7.199 -1.271 1.00 0.00 N ATOM 968 CA GLY A 66 22.371 -6.746 -0.639 1.00 0.00 C ATOM 969 C GLY A 66 23.431 -6.351 -1.648 1.00 0.00 C ATOM 970 O GLY A 66 23.481 -6.869 -2.764 1.00 0.00 O ATOM 0 H GLY A 66 20.657 -7.943 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 66 22.151 -5.894 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 66 22.760 -7.537 0.002 1.00 0.00 H new ATOM 974 N PRO A 67 24.303 -5.410 -1.258 1.00 0.00 N ATOM 975 CA PRO A 67 25.383 -4.923 -2.122 1.00 0.00 C ATOM 976 C PRO A 67 26.466 -5.973 -2.344 1.00 0.00 C ATOM 977 O PRO A 67 27.144 -5.972 -3.371 1.00 0.00 O ATOM 978 CB PRO A 67 25.947 -3.729 -1.347 1.00 0.00 C ATOM 979 CG PRO A 67 25.614 -4.010 0.077 1.00 0.00 C ATOM 980 CD PRO A 67 24.303 -4.748 0.058 1.00 0.00 C ATOM 0 HA PRO A 67 25.024 -4.670 -3.119 1.00 0.00 H new ATOM 0 HB2 PRO A 67 27.023 -3.636 -1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 67 25.499 -2.793 -1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 67 26.392 -4.609 0.549 1.00 0.00 H new ATOM 0 HG3 PRO A 67 25.533 -3.085 0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 67 24.237 -5.471 0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 67 23.458 -4.068 0.166 1.00 0.00 H new ATOM 988 N SER A 68 26.622 -6.870 -1.375 1.00 0.00 N ATOM 989 CA SER A 68 27.625 -7.924 -1.464 1.00 0.00 C ATOM 990 C SER A 68 27.029 -9.192 -2.069 1.00 0.00 C ATOM 991 O SER A 68 26.407 -9.993 -1.371 1.00 0.00 O ATOM 992 CB SER A 68 28.200 -8.228 -0.079 1.00 0.00 C ATOM 993 OG SER A 68 29.326 -7.413 0.196 1.00 0.00 O ATOM 0 H SER A 68 26.067 -6.887 -0.520 1.00 0.00 H new ATOM 0 HA SER A 68 28.427 -7.574 -2.114 1.00 0.00 H new ATOM 0 HB2 SER A 68 27.435 -8.064 0.680 1.00 0.00 H new ATOM 0 HB3 SER A 68 28.485 -9.279 -0.023 1.00 0.00 H new ATOM 0 HG SER A 68 29.674 -7.625 1.087 1.00 0.00 H new ATOM 999 N SER A 69 27.224 -9.366 -3.372 1.00 0.00 N ATOM 1000 CA SER A 69 26.703 -10.533 -4.073 1.00 0.00 C ATOM 1001 C SER A 69 27.808 -11.234 -4.858 1.00 0.00 C ATOM 1002 O SER A 69 28.322 -10.699 -5.839 1.00 0.00 O ATOM 1003 CB SER A 69 25.571 -10.124 -5.018 1.00 0.00 C ATOM 1004 OG SER A 69 25.123 -11.228 -5.786 1.00 0.00 O ATOM 0 H SER A 69 27.739 -8.714 -3.963 1.00 0.00 H new ATOM 0 HA SER A 69 26.313 -11.228 -3.329 1.00 0.00 H new ATOM 0 HB2 SER A 69 24.740 -9.718 -4.441 1.00 0.00 H new ATOM 0 HB3 SER A 69 25.916 -9.331 -5.682 1.00 0.00 H new ATOM 0 HG SER A 69 24.399 -10.941 -6.380 1.00 0.00 H new ATOM 1010 N GLY A 70 28.168 -12.436 -4.418 1.00 0.00 N ATOM 1011 CA GLY A 70 29.209 -13.191 -5.090 1.00 0.00 C ATOM 1012 C GLY A 70 28.832 -13.561 -6.510 1.00 0.00 C ATOM 1013 O GLY A 70 28.169 -14.578 -6.709 1.00 0.00 O ATOM 0 H GLY A 70 27.757 -12.900 -3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 70 30.128 -12.605 -5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 70 29.418 -14.099 -4.524 1.00 0.00 H new TER 1017 GLY A 70 HETATM 1018 ZN ZN A 201 -11.285 4.107 2.541 1.00 0.00 ZN HETATM 1019 ZN ZN A 401 6.671 3.720 0.232 1.00 0.00 ZN