USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 562 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 26 HIS HE2 : A 26 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 23:sc= 0.0658 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 GLN : amide:sc= -2.61! K(o=-2.6!,f=-1.6) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 110:sc= -3.94! USER MOD Single : A 19 GLN : amide:sc= -1.02 K(o=-1,f=-3.6!) USER MOD Single : A 20 LYS NZ :NH3+ -123:sc= -1.12 (180deg=-1.84!) USER MOD Single : A 22 SER OG : rot 170:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.26) USER MOD Single : A 27 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.2!) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= -0.457 (180deg=-1.18) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 0.0831 (180deg=-0.0677) USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= 1.2 (180deg=-0.197!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -16:sc= 0.488 USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.416) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.977 K(o=-0.98,f=-2.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.152 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.395 -27.110 18.067 1.00 0.00 N ATOM 2 CA GLY A 1 -3.026 -26.359 16.998 1.00 0.00 C ATOM 3 C GLY A 1 -3.709 -25.101 17.498 1.00 0.00 C ATOM 4 O GLY A 1 -4.522 -25.153 18.421 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.943 -27.960 17.674 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.676 -26.518 18.530 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.113 -27.391 18.764 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.275 -26.090 16.255 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.759 -26.992 16.497 1.00 0.00 H new ATOM 8 N SER A 2 -3.377 -23.968 16.888 1.00 0.00 N ATOM 9 CA SER A 2 -3.960 -22.690 17.281 1.00 0.00 C ATOM 10 C SER A 2 -4.846 -22.133 16.170 1.00 0.00 C ATOM 11 O SER A 2 -4.753 -22.554 15.017 1.00 0.00 O ATOM 12 CB SER A 2 -2.858 -21.685 17.621 1.00 0.00 C ATOM 13 OG SER A 2 -1.930 -21.566 16.556 1.00 0.00 O ATOM 0 H SER A 2 -2.708 -23.909 16.120 1.00 0.00 H new ATOM 0 HA SER A 2 -4.575 -22.856 18.165 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.301 -20.712 17.832 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.339 -22.002 18.526 1.00 0.00 H new ATOM 0 HG SER A 2 -1.237 -20.917 16.797 1.00 0.00 H new ATOM 19 N SER A 3 -5.705 -21.184 16.527 1.00 0.00 N ATOM 20 CA SER A 3 -6.611 -20.571 15.563 1.00 0.00 C ATOM 21 C SER A 3 -6.840 -19.098 15.892 1.00 0.00 C ATOM 22 O SER A 3 -6.636 -18.665 17.025 1.00 0.00 O ATOM 23 CB SER A 3 -7.948 -21.314 15.544 1.00 0.00 C ATOM 24 OG SER A 3 -7.895 -22.437 14.682 1.00 0.00 O ATOM 0 H SER A 3 -5.793 -20.823 17.477 1.00 0.00 H new ATOM 0 HA SER A 3 -6.152 -20.638 14.577 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.202 -21.638 16.553 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.739 -20.638 15.218 1.00 0.00 H new ATOM 0 HG SER A 3 -6.963 -22.718 14.568 1.00 0.00 H new ATOM 30 N GLY A 4 -7.265 -18.334 14.891 1.00 0.00 N ATOM 31 CA GLY A 4 -7.514 -16.918 15.093 1.00 0.00 C ATOM 32 C GLY A 4 -7.697 -16.170 13.787 1.00 0.00 C ATOM 33 O GLY A 4 -7.010 -16.446 12.804 1.00 0.00 O ATOM 0 H GLY A 4 -7.441 -18.670 13.944 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.405 -16.793 15.708 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.682 -16.481 15.645 1.00 0.00 H new ATOM 37 N SER A 5 -8.629 -15.222 13.776 1.00 0.00 N ATOM 38 CA SER A 5 -8.905 -14.435 12.580 1.00 0.00 C ATOM 39 C SER A 5 -7.687 -13.605 12.182 1.00 0.00 C ATOM 40 O SER A 5 -7.101 -12.907 13.010 1.00 0.00 O ATOM 41 CB SER A 5 -10.107 -13.518 12.813 1.00 0.00 C ATOM 42 OG SER A 5 -11.325 -14.218 12.626 1.00 0.00 O ATOM 0 H SER A 5 -9.206 -14.981 14.582 1.00 0.00 H new ATOM 0 HA SER A 5 -9.135 -15.124 11.767 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.068 -13.112 13.824 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.061 -12.672 12.128 1.00 0.00 H new ATOM 0 HG SER A 5 -12.078 -13.611 12.782 1.00 0.00 H new ATOM 48 N SER A 6 -7.313 -13.688 10.910 1.00 0.00 N ATOM 49 CA SER A 6 -6.163 -12.948 10.402 1.00 0.00 C ATOM 50 C SER A 6 -6.457 -11.452 10.356 1.00 0.00 C ATOM 51 O SER A 6 -5.657 -10.636 10.812 1.00 0.00 O ATOM 52 CB SER A 6 -5.784 -13.448 9.007 1.00 0.00 C ATOM 53 OG SER A 6 -5.248 -14.759 9.063 1.00 0.00 O ATOM 0 H SER A 6 -7.789 -14.260 10.212 1.00 0.00 H new ATOM 0 HA SER A 6 -5.326 -13.115 11.080 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.663 -13.438 8.363 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.054 -12.772 8.561 1.00 0.00 H new ATOM 0 HG SER A 6 -5.015 -15.056 8.159 1.00 0.00 H new ATOM 59 N GLY A 7 -7.613 -11.099 9.800 1.00 0.00 N ATOM 60 CA GLY A 7 -7.993 -9.701 9.704 1.00 0.00 C ATOM 61 C GLY A 7 -8.054 -9.215 8.269 1.00 0.00 C ATOM 62 O GLY A 7 -7.416 -9.786 7.384 1.00 0.00 O ATOM 0 H GLY A 7 -8.292 -11.755 9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.966 -9.559 10.174 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.278 -9.094 10.260 1.00 0.00 H new ATOM 66 N LEU A 8 -8.826 -8.159 8.037 1.00 0.00 N ATOM 67 CA LEU A 8 -8.970 -7.596 6.699 1.00 0.00 C ATOM 68 C LEU A 8 -7.729 -6.799 6.307 1.00 0.00 C ATOM 69 O LEU A 8 -6.946 -6.391 7.164 1.00 0.00 O ATOM 70 CB LEU A 8 -10.208 -6.700 6.632 1.00 0.00 C ATOM 71 CG LEU A 8 -11.534 -7.358 7.014 1.00 0.00 C ATOM 72 CD1 LEU A 8 -12.486 -6.333 7.610 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.163 -8.033 5.804 1.00 0.00 C ATOM 0 H LEU A 8 -9.362 -7.675 8.758 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.087 -8.420 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.048 -5.844 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.297 -6.312 5.617 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.335 -8.120 7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.424 -6.819 7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.038 -5.896 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.679 -5.547 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.106 -8.496 6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.348 -7.290 5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.487 -8.797 5.421 1.00 0.00 H new ATOM 85 N GLN A 9 -7.560 -6.580 5.007 1.00 0.00 N ATOM 86 CA GLN A 9 -6.415 -5.830 4.502 1.00 0.00 C ATOM 87 C GLN A 9 -6.843 -4.851 3.414 1.00 0.00 C ATOM 88 O GLN A 9 -7.357 -5.253 2.370 1.00 0.00 O ATOM 89 CB GLN A 9 -5.353 -6.786 3.957 1.00 0.00 C ATOM 90 CG GLN A 9 -4.031 -6.107 3.635 1.00 0.00 C ATOM 91 CD GLN A 9 -3.072 -6.113 4.809 1.00 0.00 C ATOM 92 OE1 GLN A 9 -2.713 -7.170 5.327 1.00 0.00 O ATOM 93 NE2 GLN A 9 -2.650 -4.928 5.235 1.00 0.00 N ATOM 0 H GLN A 9 -8.200 -6.911 4.285 1.00 0.00 H new ATOM 0 HA GLN A 9 -5.991 -5.261 5.330 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.178 -7.576 4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.735 -7.265 3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.565 -6.610 2.788 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.220 -5.078 3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.973 -4.076 4.776 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.003 -4.870 6.021 1.00 0.00 H new ATOM 102 N CYS A 10 -6.628 -3.564 3.665 1.00 0.00 N ATOM 103 CA CYS A 10 -6.992 -2.527 2.707 1.00 0.00 C ATOM 104 C CYS A 10 -6.031 -2.519 1.522 1.00 0.00 C ATOM 105 O CYS A 10 -4.854 -2.851 1.663 1.00 0.00 O ATOM 106 CB CYS A 10 -6.994 -1.155 3.385 1.00 0.00 C ATOM 107 SG CYS A 10 -6.882 0.247 2.228 1.00 0.00 S ATOM 0 H CYS A 10 -6.203 -3.214 4.524 1.00 0.00 H new ATOM 0 HA CYS A 10 -7.994 -2.744 2.338 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.906 -1.054 3.974 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.157 -1.105 4.082 1.00 0.00 H new ATOM 112 N GLU A 11 -6.542 -2.138 0.355 1.00 0.00 N ATOM 113 CA GLU A 11 -5.728 -2.088 -0.854 1.00 0.00 C ATOM 114 C GLU A 11 -5.248 -0.666 -1.128 1.00 0.00 C ATOM 115 O GLU A 11 -4.179 -0.461 -1.705 1.00 0.00 O ATOM 116 CB GLU A 11 -6.524 -2.609 -2.052 1.00 0.00 C ATOM 117 CG GLU A 11 -7.587 -1.641 -2.544 1.00 0.00 C ATOM 118 CD GLU A 11 -8.402 -2.204 -3.692 1.00 0.00 C ATOM 119 OE1 GLU A 11 -7.826 -2.428 -4.777 1.00 0.00 O ATOM 120 OE2 GLU A 11 -9.618 -2.422 -3.505 1.00 0.00 O ATOM 0 H GLU A 11 -7.514 -1.860 0.221 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.856 -2.724 -0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.835 -2.825 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.000 -3.551 -1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.254 -1.389 -1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.110 -0.714 -2.862 1.00 0.00 H new ATOM 127 N ILE A 12 -6.045 0.312 -0.711 1.00 0.00 N ATOM 128 CA ILE A 12 -5.701 1.714 -0.911 1.00 0.00 C ATOM 129 C ILE A 12 -4.340 2.038 -0.305 1.00 0.00 C ATOM 130 O ILE A 12 -3.376 2.305 -1.023 1.00 0.00 O ATOM 131 CB ILE A 12 -6.760 2.647 -0.294 1.00 0.00 C ATOM 132 CG1 ILE A 12 -8.152 2.293 -0.822 1.00 0.00 C ATOM 133 CG2 ILE A 12 -6.427 4.100 -0.597 1.00 0.00 C ATOM 134 CD1 ILE A 12 -8.249 2.311 -2.331 1.00 0.00 C ATOM 0 H ILE A 12 -6.933 0.159 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.665 1.880 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.756 2.512 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.428 1.302 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.877 2.996 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.185 4.747 -0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.451 4.345 -0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.407 4.251 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.263 2.051 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.005 3.307 -2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.549 1.588 -2.749 1.00 0.00 H new ATOM 146 N CYS A 13 -4.267 2.012 1.021 1.00 0.00 N ATOM 147 CA CYS A 13 -3.024 2.301 1.726 1.00 0.00 C ATOM 148 C CYS A 13 -2.344 1.013 2.181 1.00 0.00 C ATOM 149 O CYS A 13 -1.125 0.877 2.090 1.00 0.00 O ATOM 150 CB CYS A 13 -3.295 3.202 2.933 1.00 0.00 C ATOM 151 SG CYS A 13 -4.399 2.463 4.179 1.00 0.00 S ATOM 0 H CYS A 13 -5.055 1.793 1.630 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.357 2.819 1.037 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.346 3.452 3.407 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.733 4.137 2.584 1.00 0.00 H new ATOM 156 N GLY A 14 -3.143 0.070 2.672 1.00 0.00 N ATOM 157 CA GLY A 14 -2.601 -1.194 3.133 1.00 0.00 C ATOM 158 C GLY A 14 -2.819 -1.411 4.618 1.00 0.00 C ATOM 159 O GLY A 14 -2.022 -2.077 5.279 1.00 0.00 O ATOM 0 H GLY A 14 -4.155 0.159 2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.065 -2.009 2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.533 -1.229 2.917 1.00 0.00 H new ATOM 163 N PHE A 15 -3.900 -0.845 5.144 1.00 0.00 N ATOM 164 CA PHE A 15 -4.219 -0.977 6.561 1.00 0.00 C ATOM 165 C PHE A 15 -4.843 -2.339 6.854 1.00 0.00 C ATOM 166 O PHE A 15 -5.101 -3.125 5.942 1.00 0.00 O ATOM 167 CB PHE A 15 -5.173 0.137 6.997 1.00 0.00 C ATOM 168 CG PHE A 15 -5.284 0.281 8.488 1.00 0.00 C ATOM 169 CD1 PHE A 15 -4.200 0.705 9.240 1.00 0.00 C ATOM 170 CD2 PHE A 15 -6.473 -0.008 9.138 1.00 0.00 C ATOM 171 CE1 PHE A 15 -4.300 0.839 10.612 1.00 0.00 C ATOM 172 CE2 PHE A 15 -6.579 0.125 10.510 1.00 0.00 C ATOM 173 CZ PHE A 15 -5.491 0.548 11.248 1.00 0.00 C ATOM 0 H PHE A 15 -4.570 -0.291 4.611 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.290 -0.893 7.126 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.833 1.082 6.573 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.162 -0.060 6.584 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.266 0.933 8.748 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.327 -0.341 8.566 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.448 1.171 11.186 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.512 -0.102 11.004 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.571 0.651 12.320 1.00 0.00 H new ATOM 183 N THR A 16 -5.081 -2.611 8.133 1.00 0.00 N ATOM 184 CA THR A 16 -5.672 -3.877 8.547 1.00 0.00 C ATOM 185 C THR A 16 -6.729 -3.664 9.625 1.00 0.00 C ATOM 186 O THR A 16 -6.499 -2.947 10.600 1.00 0.00 O ATOM 187 CB THR A 16 -4.602 -4.850 9.078 1.00 0.00 C ATOM 188 OG1 THR A 16 -3.569 -4.122 9.752 1.00 0.00 O ATOM 189 CG2 THR A 16 -3.999 -5.663 7.943 1.00 0.00 C ATOM 0 H THR A 16 -4.873 -1.971 8.900 1.00 0.00 H new ATOM 0 HA THR A 16 -6.140 -4.311 7.663 1.00 0.00 H new ATOM 0 HB THR A 16 -5.080 -5.534 9.779 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.894 -4.748 10.088 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.246 -6.343 8.342 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.783 -6.238 7.451 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.535 -4.991 7.221 1.00 0.00 H new ATOM 197 N CYS A 17 -7.886 -4.291 9.445 1.00 0.00 N ATOM 198 CA CYS A 17 -8.979 -4.170 10.404 1.00 0.00 C ATOM 199 C CYS A 17 -9.777 -5.467 10.485 1.00 0.00 C ATOM 200 O CYS A 17 -9.901 -6.194 9.499 1.00 0.00 O ATOM 201 CB CYS A 17 -9.900 -3.013 10.014 1.00 0.00 C ATOM 202 SG CYS A 17 -10.799 -2.285 11.404 1.00 0.00 S ATOM 0 H CYS A 17 -8.092 -4.888 8.644 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.549 -3.968 11.385 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.306 -2.236 9.532 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.619 -3.368 9.276 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.334 -1.096 11.646 1.00 0.00 H new ATOM 208 N ARG A 18 -10.315 -5.751 11.666 1.00 0.00 N ATOM 209 CA ARG A 18 -11.099 -6.962 11.877 1.00 0.00 C ATOM 210 C ARG A 18 -12.541 -6.763 11.419 1.00 0.00 C ATOM 211 O ARG A 18 -13.035 -7.493 10.560 1.00 0.00 O ATOM 212 CB ARG A 18 -11.073 -7.361 13.354 1.00 0.00 C ATOM 213 CG ARG A 18 -9.748 -7.958 13.800 1.00 0.00 C ATOM 214 CD ARG A 18 -8.752 -6.876 14.188 1.00 0.00 C ATOM 215 NE ARG A 18 -7.371 -7.320 14.024 1.00 0.00 N ATOM 216 CZ ARG A 18 -6.327 -6.498 14.050 1.00 0.00 C ATOM 217 NH1 ARG A 18 -6.508 -5.198 14.234 1.00 0.00 N ATOM 218 NH2 ARG A 18 -5.100 -6.978 13.893 1.00 0.00 N ATOM 0 H ARG A 18 -10.222 -5.159 12.492 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.654 -7.761 11.283 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.290 -6.483 13.963 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.868 -8.083 13.541 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.914 -8.622 14.648 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.332 -8.565 12.996 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.923 -5.990 13.577 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.919 -6.585 15.225 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.198 -8.315 13.882 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.450 -4.826 14.356 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.705 -4.569 14.254 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.958 -7.978 13.752 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.299 -6.347 13.913 1.00 0.00 H new ATOM 232 N GLN A 19 -13.209 -5.771 11.998 1.00 0.00 N ATOM 233 CA GLN A 19 -14.594 -5.477 11.650 1.00 0.00 C ATOM 234 C GLN A 19 -14.686 -4.855 10.260 1.00 0.00 C ATOM 235 O GLN A 19 -13.809 -4.094 9.850 1.00 0.00 O ATOM 236 CB GLN A 19 -15.214 -4.537 12.685 1.00 0.00 C ATOM 237 CG GLN A 19 -15.407 -5.177 14.050 1.00 0.00 C ATOM 238 CD GLN A 19 -16.459 -6.268 14.039 1.00 0.00 C ATOM 239 OE1 GLN A 19 -16.327 -7.268 13.332 1.00 0.00 O ATOM 240 NE2 GLN A 19 -17.513 -6.083 14.826 1.00 0.00 N ATOM 0 H GLN A 19 -12.814 -5.157 12.710 1.00 0.00 H new ATOM 0 HA GLN A 19 -15.148 -6.416 11.645 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.579 -3.658 12.792 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.179 -4.190 12.316 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.459 -5.595 14.388 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.692 -4.410 14.770 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.582 -5.240 15.396 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.253 -6.784 14.861 1.00 0.00 H new ATOM 249 N LYS A 20 -15.752 -5.183 9.539 1.00 0.00 N ATOM 250 CA LYS A 20 -15.960 -4.657 8.196 1.00 0.00 C ATOM 251 C LYS A 20 -16.292 -3.168 8.240 1.00 0.00 C ATOM 252 O LYS A 20 -15.598 -2.350 7.637 1.00 0.00 O ATOM 253 CB LYS A 20 -17.086 -5.420 7.495 1.00 0.00 C ATOM 254 CG LYS A 20 -16.860 -6.921 7.438 1.00 0.00 C ATOM 255 CD LYS A 20 -15.850 -7.292 6.365 1.00 0.00 C ATOM 256 CE LYS A 20 -15.612 -8.794 6.319 1.00 0.00 C ATOM 257 NZ LYS A 20 -14.859 -9.273 7.511 1.00 0.00 N ATOM 0 H LYS A 20 -16.487 -5.812 9.863 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.035 -4.789 7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.025 -5.222 8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.195 -5.039 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.509 -7.274 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.806 -7.425 7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.207 -6.949 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.908 -6.779 6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.569 -9.312 6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.059 -9.047 5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.993 -9.759 7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.606 -8.462 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.452 -9.933 8.054 1.00 0.00 H new ATOM 271 N ALA A 21 -17.355 -2.825 8.960 1.00 0.00 N ATOM 272 CA ALA A 21 -17.775 -1.435 9.085 1.00 0.00 C ATOM 273 C ALA A 21 -16.572 -0.499 9.127 1.00 0.00 C ATOM 274 O ALA A 21 -16.574 0.559 8.498 1.00 0.00 O ATOM 275 CB ALA A 21 -18.632 -1.253 10.330 1.00 0.00 C ATOM 0 H ALA A 21 -17.941 -3.490 9.465 1.00 0.00 H new ATOM 0 HA ALA A 21 -18.369 -1.180 8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -18.939 -0.210 10.411 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.516 -1.887 10.259 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -18.056 -1.531 11.212 1.00 0.00 H new ATOM 281 N SER A 22 -15.546 -0.895 9.874 1.00 0.00 N ATOM 282 CA SER A 22 -14.338 -0.089 10.002 1.00 0.00 C ATOM 283 C SER A 22 -13.649 0.076 8.650 1.00 0.00 C ATOM 284 O SER A 22 -13.418 1.195 8.191 1.00 0.00 O ATOM 285 CB SER A 22 -13.375 -0.730 11.003 1.00 0.00 C ATOM 286 OG SER A 22 -13.807 -0.517 12.335 1.00 0.00 O ATOM 0 H SER A 22 -15.528 -1.769 10.400 1.00 0.00 H new ATOM 0 HA SER A 22 -14.626 0.897 10.366 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.302 -1.800 10.808 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.377 -0.313 10.870 1.00 0.00 H new ATOM 0 HG SER A 22 -13.271 -1.067 12.944 1.00 0.00 H new ATOM 292 N LEU A 23 -13.324 -1.046 8.019 1.00 0.00 N ATOM 293 CA LEU A 23 -12.662 -1.028 6.719 1.00 0.00 C ATOM 294 C LEU A 23 -13.346 -0.047 5.773 1.00 0.00 C ATOM 295 O LEU A 23 -12.690 0.780 5.140 1.00 0.00 O ATOM 296 CB LEU A 23 -12.661 -2.429 6.105 1.00 0.00 C ATOM 297 CG LEU A 23 -11.596 -2.695 5.040 1.00 0.00 C ATOM 298 CD1 LEU A 23 -10.219 -2.797 5.676 1.00 0.00 C ATOM 299 CD2 LEU A 23 -11.923 -3.963 4.265 1.00 0.00 C ATOM 0 H LEU A 23 -13.508 -1.980 8.386 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.632 -0.703 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.533 -3.155 6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -13.641 -2.611 5.664 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.590 -1.858 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.474 -2.986 4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.983 -1.863 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.211 -3.615 6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.155 -4.137 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.957 -4.810 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -12.891 -3.852 3.777 1.00 0.00 H new ATOM 311 N ASN A 24 -14.668 -0.143 5.683 1.00 0.00 N ATOM 312 CA ASN A 24 -15.442 0.737 4.815 1.00 0.00 C ATOM 313 C ASN A 24 -15.214 2.200 5.183 1.00 0.00 C ATOM 314 O ASN A 24 -14.847 3.014 4.335 1.00 0.00 O ATOM 315 CB ASN A 24 -16.932 0.401 4.910 1.00 0.00 C ATOM 316 CG ASN A 24 -17.192 -1.092 4.859 1.00 0.00 C ATOM 317 OD1 ASN A 24 -16.607 -1.808 4.047 1.00 0.00 O ATOM 318 ND2 ASN A 24 -18.074 -1.568 5.730 1.00 0.00 N ATOM 0 H ASN A 24 -15.226 -0.822 6.201 1.00 0.00 H new ATOM 0 HA ASN A 24 -15.107 0.582 3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -17.334 0.806 5.839 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -17.464 0.888 4.093 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -18.290 -2.565 5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -18.535 -0.937 6.385 1.00 0.00 H new ATOM 325 N TRP A 25 -15.435 2.527 6.451 1.00 0.00 N ATOM 326 CA TRP A 25 -15.253 3.892 6.932 1.00 0.00 C ATOM 327 C TRP A 25 -13.800 4.331 6.788 1.00 0.00 C ATOM 328 O TRP A 25 -13.510 5.522 6.670 1.00 0.00 O ATOM 329 CB TRP A 25 -15.690 4.002 8.393 1.00 0.00 C ATOM 330 CG TRP A 25 -15.210 5.254 9.063 1.00 0.00 C ATOM 331 CD1 TRP A 25 -13.978 5.470 9.612 1.00 0.00 C ATOM 332 CD2 TRP A 25 -15.955 6.461 9.257 1.00 0.00 C ATOM 333 NE1 TRP A 25 -13.913 6.739 10.135 1.00 0.00 N ATOM 334 CE2 TRP A 25 -15.112 7.368 9.930 1.00 0.00 C ATOM 335 CE3 TRP A 25 -17.252 6.866 8.927 1.00 0.00 C ATOM 336 CZ2 TRP A 25 -15.526 8.651 10.277 1.00 0.00 C ATOM 337 CZ3 TRP A 25 -17.660 8.140 9.273 1.00 0.00 C ATOM 338 CH2 TRP A 25 -16.800 9.020 9.941 1.00 0.00 C ATOM 0 H TRP A 25 -15.741 1.866 7.165 1.00 0.00 H new ATOM 0 HA TRP A 25 -15.873 4.551 6.324 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -16.778 3.966 8.443 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -15.317 3.138 8.943 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -13.174 4.750 9.632 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -13.102 7.147 10.601 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -17.923 6.195 8.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -14.865 9.331 10.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -18.660 8.463 9.024 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -17.149 10.010 10.196 1.00 0.00 H new ATOM 349 N HIS A 26 -12.890 3.362 6.797 1.00 0.00 N ATOM 350 CA HIS A 26 -11.466 3.650 6.666 1.00 0.00 C ATOM 351 C HIS A 26 -11.077 3.813 5.200 1.00 0.00 C ATOM 352 O HIS A 26 -10.007 4.335 4.887 1.00 0.00 O ATOM 353 CB HIS A 26 -10.638 2.534 7.304 1.00 0.00 C ATOM 354 CG HIS A 26 -9.306 2.329 6.651 1.00 0.00 C ATOM 355 ND1 HIS A 26 -8.145 2.914 7.110 1.00 0.00 N ATOM 356 CD2 HIS A 26 -8.954 1.595 5.570 1.00 0.00 C ATOM 357 CE1 HIS A 26 -7.136 2.551 6.337 1.00 0.00 C ATOM 358 NE2 HIS A 26 -7.601 1.750 5.395 1.00 0.00 N ATOM 0 H HIS A 26 -13.113 2.371 6.894 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.261 4.587 7.184 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -10.485 2.764 8.359 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -11.203 1.603 7.259 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -8.075 3.531 7.920 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -9.615 0.998 4.959 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.107 2.857 6.455 1.00 0.00 H new ATOM 366 N GLN A 27 -11.952 3.363 4.307 1.00 0.00 N ATOM 367 CA GLN A 27 -11.699 3.458 2.874 1.00 0.00 C ATOM 368 C GLN A 27 -12.260 4.758 2.307 1.00 0.00 C ATOM 369 O GLN A 27 -11.582 5.465 1.561 1.00 0.00 O ATOM 370 CB GLN A 27 -12.314 2.262 2.145 1.00 0.00 C ATOM 371 CG GLN A 27 -11.451 1.012 2.191 1.00 0.00 C ATOM 372 CD GLN A 27 -11.950 -0.076 1.260 1.00 0.00 C ATOM 373 OE1 GLN A 27 -12.631 0.200 0.273 1.00 0.00 O ATOM 374 NE2 GLN A 27 -11.613 -1.322 1.572 1.00 0.00 N ATOM 0 H GLN A 27 -12.842 2.929 4.550 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.620 3.452 2.720 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.286 2.039 2.586 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.491 2.533 1.104 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.427 1.272 1.924 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.427 0.629 3.211 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.047 -1.505 2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.921 -2.096 0.983 1.00 0.00 H new ATOM 383 N ARG A 28 -13.502 5.067 2.666 1.00 0.00 N ATOM 384 CA ARG A 28 -14.154 6.281 2.191 1.00 0.00 C ATOM 385 C ARG A 28 -13.260 7.499 2.408 1.00 0.00 C ATOM 386 O ARG A 28 -13.229 8.414 1.585 1.00 0.00 O ATOM 387 CB ARG A 28 -15.490 6.482 2.909 1.00 0.00 C ATOM 388 CG ARG A 28 -15.352 6.666 4.411 1.00 0.00 C ATOM 389 CD ARG A 28 -16.703 6.899 5.070 1.00 0.00 C ATOM 390 NE ARG A 28 -17.640 5.813 4.796 1.00 0.00 N ATOM 391 CZ ARG A 28 -18.956 5.980 4.719 1.00 0.00 C ATOM 392 NH1 ARG A 28 -19.487 7.182 4.894 1.00 0.00 N ATOM 393 NH2 ARG A 28 -19.743 4.942 4.465 1.00 0.00 N ATOM 0 H ARG A 28 -14.076 4.494 3.284 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.336 6.171 1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -15.991 7.354 2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -16.131 5.622 2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.881 5.784 4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.695 7.511 4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.569 6.999 6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -17.123 7.839 4.713 1.00 0.00 H new ATOM 0 HE ARG A 28 -17.264 4.875 4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -18.885 7.982 5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -20.498 7.307 4.834 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -19.338 4.016 4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -20.753 5.070 4.406 1.00 0.00 H new ATOM 407 N LYS A 29 -12.535 7.504 3.521 1.00 0.00 N ATOM 408 CA LYS A 29 -11.640 8.607 3.847 1.00 0.00 C ATOM 409 C LYS A 29 -10.594 8.801 2.754 1.00 0.00 C ATOM 410 O LYS A 29 -10.260 9.930 2.392 1.00 0.00 O ATOM 411 CB LYS A 29 -10.949 8.352 5.189 1.00 0.00 C ATOM 412 CG LYS A 29 -9.662 7.556 5.068 1.00 0.00 C ATOM 413 CD LYS A 29 -8.891 7.541 6.377 1.00 0.00 C ATOM 414 CE LYS A 29 -9.342 6.400 7.277 1.00 0.00 C ATOM 415 NZ LYS A 29 -10.515 6.782 8.110 1.00 0.00 N ATOM 0 H LYS A 29 -12.550 6.755 4.213 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.237 9.516 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.731 9.309 5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.636 7.819 5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.892 6.534 4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.040 7.986 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.825 7.444 6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.031 8.490 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.597 5.534 6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.518 6.101 7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.517 6.220 8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.457 7.793 8.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.391 6.601 7.580 1.00 0.00 H new ATOM 429 N HIS A 30 -10.081 7.692 2.229 1.00 0.00 N ATOM 430 CA HIS A 30 -9.074 7.740 1.175 1.00 0.00 C ATOM 431 C HIS A 30 -9.529 8.640 0.030 1.00 0.00 C ATOM 432 O HIS A 30 -8.763 9.466 -0.465 1.00 0.00 O ATOM 433 CB HIS A 30 -8.787 6.333 0.650 1.00 0.00 C ATOM 434 CG HIS A 30 -8.090 5.454 1.643 1.00 0.00 C ATOM 435 ND1 HIS A 30 -7.068 5.899 2.454 1.00 0.00 N ATOM 436 CD2 HIS A 30 -8.275 4.150 1.954 1.00 0.00 C ATOM 437 CE1 HIS A 30 -6.653 4.906 3.220 1.00 0.00 C ATOM 438 NE2 HIS A 30 -7.370 3.833 2.936 1.00 0.00 N ATOM 0 H HIS A 30 -10.346 6.750 2.516 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.159 8.155 1.599 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.727 5.864 0.359 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.176 6.407 -0.249 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -6.691 6.847 2.461 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.000 3.483 1.512 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.862 4.962 3.954 1.00 0.00 H new ATOM 446 N ALA A 31 -10.780 8.473 -0.387 1.00 0.00 N ATOM 447 CA ALA A 31 -11.337 9.270 -1.472 1.00 0.00 C ATOM 448 C ALA A 31 -10.947 10.738 -1.331 1.00 0.00 C ATOM 449 O ALA A 31 -10.862 11.464 -2.321 1.00 0.00 O ATOM 450 CB ALA A 31 -12.851 9.126 -1.510 1.00 0.00 C ATOM 0 H ALA A 31 -11.427 7.792 0.011 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.924 8.900 -2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.253 9.727 -2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.113 8.080 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.273 9.468 -0.565 1.00 0.00 H new ATOM 456 N GLU A 32 -10.710 11.167 -0.095 1.00 0.00 N ATOM 457 CA GLU A 32 -10.331 12.549 0.173 1.00 0.00 C ATOM 458 C GLU A 32 -8.814 12.688 0.262 1.00 0.00 C ATOM 459 O GLU A 32 -8.240 13.671 -0.210 1.00 0.00 O ATOM 460 CB GLU A 32 -10.976 13.035 1.473 1.00 0.00 C ATOM 461 CG GLU A 32 -12.347 13.659 1.275 1.00 0.00 C ATOM 462 CD GLU A 32 -12.299 14.916 0.429 1.00 0.00 C ATOM 463 OE1 GLU A 32 -12.031 15.999 0.989 1.00 0.00 O ATOM 464 OE2 GLU A 32 -12.531 14.816 -0.794 1.00 0.00 O ATOM 0 H GLU A 32 -10.774 10.578 0.735 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.688 13.164 -0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.064 12.194 2.161 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.318 13.765 1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.008 12.932 0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.778 13.896 2.248 1.00 0.00 H new ATOM 471 N THR A 33 -8.169 11.699 0.872 1.00 0.00 N ATOM 472 CA THR A 33 -6.719 11.711 1.025 1.00 0.00 C ATOM 473 C THR A 33 -6.023 11.710 -0.331 1.00 0.00 C ATOM 474 O THR A 33 -4.984 12.346 -0.507 1.00 0.00 O ATOM 475 CB THR A 33 -6.231 10.499 1.841 1.00 0.00 C ATOM 476 OG1 THR A 33 -6.983 10.390 3.054 1.00 0.00 O ATOM 477 CG2 THR A 33 -4.750 10.628 2.167 1.00 0.00 C ATOM 0 H THR A 33 -8.628 10.879 1.268 1.00 0.00 H new ATOM 0 HA THR A 33 -6.465 12.626 1.560 1.00 0.00 H new ATOM 0 HB THR A 33 -6.379 9.601 1.241 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.668 9.616 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.428 9.761 2.744 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.177 10.682 1.241 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.583 11.534 2.750 1.00 0.00 H new ATOM 485 N VAL A 34 -6.603 10.993 -1.288 1.00 0.00 N ATOM 486 CA VAL A 34 -6.039 10.911 -2.630 1.00 0.00 C ATOM 487 C VAL A 34 -5.370 12.223 -3.026 1.00 0.00 C ATOM 488 O VAL A 34 -4.343 12.228 -3.704 1.00 0.00 O ATOM 489 CB VAL A 34 -7.118 10.563 -3.673 1.00 0.00 C ATOM 490 CG1 VAL A 34 -7.723 9.199 -3.379 1.00 0.00 C ATOM 491 CG2 VAL A 34 -8.194 11.638 -3.705 1.00 0.00 C ATOM 0 H VAL A 34 -7.463 10.460 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.293 10.117 -2.611 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.649 10.522 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.483 8.970 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.942 8.440 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.178 9.209 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.948 11.376 -4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.662 11.714 -2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.744 12.596 -3.967 1.00 0.00 H new ATOM 501 N ALA A 35 -5.960 13.334 -2.598 1.00 0.00 N ATOM 502 CA ALA A 35 -5.420 14.653 -2.905 1.00 0.00 C ATOM 503 C ALA A 35 -3.974 14.777 -2.436 1.00 0.00 C ATOM 504 O ALA A 35 -3.099 15.190 -3.196 1.00 0.00 O ATOM 505 CB ALA A 35 -6.278 15.736 -2.269 1.00 0.00 C ATOM 0 H ALA A 35 -6.812 13.347 -2.038 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.436 14.782 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.863 16.715 -2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.295 15.669 -2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.292 15.601 -1.188 1.00 0.00 H new ATOM 511 N ALA A 36 -3.732 14.418 -1.179 1.00 0.00 N ATOM 512 CA ALA A 36 -2.392 14.489 -0.610 1.00 0.00 C ATOM 513 C ALA A 36 -1.370 13.825 -1.526 1.00 0.00 C ATOM 514 O ALA A 36 -0.257 14.324 -1.696 1.00 0.00 O ATOM 515 CB ALA A 36 -2.369 13.840 0.767 1.00 0.00 C ATOM 0 H ALA A 36 -4.446 14.075 -0.536 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.122 15.540 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.362 13.900 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.064 14.360 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.664 12.794 0.681 1.00 0.00 H new ATOM 521 N LEU A 37 -1.754 12.698 -2.115 1.00 0.00 N ATOM 522 CA LEU A 37 -0.871 11.965 -3.015 1.00 0.00 C ATOM 523 C LEU A 37 -0.633 12.748 -4.302 1.00 0.00 C ATOM 524 O LEU A 37 -1.556 12.968 -5.086 1.00 0.00 O ATOM 525 CB LEU A 37 -1.466 10.594 -3.341 1.00 0.00 C ATOM 526 CG LEU A 37 -2.237 9.911 -2.211 1.00 0.00 C ATOM 527 CD1 LEU A 37 -2.793 8.574 -2.677 1.00 0.00 C ATOM 528 CD2 LEU A 37 -1.344 9.725 -0.993 1.00 0.00 C ATOM 0 H LEU A 37 -2.672 12.272 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 37 0.087 11.828 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.134 10.704 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.657 9.934 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.073 10.550 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.339 8.102 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.467 8.734 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.972 7.927 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.909 9.238 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.487 9.107 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.995 10.698 -0.646 1.00 0.00 H new ATOM 540 N ARG A 38 0.611 13.166 -4.513 1.00 0.00 N ATOM 541 CA ARG A 38 0.971 13.923 -5.705 1.00 0.00 C ATOM 542 C ARG A 38 1.995 13.164 -6.544 1.00 0.00 C ATOM 543 O ARG A 38 2.090 13.362 -7.756 1.00 0.00 O ATOM 544 CB ARG A 38 1.531 15.293 -5.316 1.00 0.00 C ATOM 545 CG ARG A 38 1.087 15.763 -3.940 1.00 0.00 C ATOM 546 CD ARG A 38 2.129 15.446 -2.880 1.00 0.00 C ATOM 547 NE ARG A 38 3.186 16.453 -2.832 1.00 0.00 N ATOM 548 CZ ARG A 38 3.137 17.533 -2.060 1.00 0.00 C ATOM 549 NH1 ARG A 38 2.090 17.744 -1.274 1.00 0.00 N ATOM 550 NH2 ARG A 38 4.138 18.404 -2.071 1.00 0.00 N ATOM 0 H ARG A 38 1.386 12.993 -3.873 1.00 0.00 H new ATOM 0 HA ARG A 38 0.069 14.062 -6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.620 15.252 -5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.221 16.027 -6.059 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.905 16.837 -3.963 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.143 15.285 -3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.646 15.381 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.568 14.469 -3.084 1.00 0.00 H new ATOM 0 HE ARG A 38 4.006 16.320 -3.423 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.319 17.076 -1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.055 18.574 -0.682 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.946 18.245 -2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.099 19.233 -1.478 1.00 0.00 H new ATOM 564 N PHE A 39 2.758 12.294 -5.892 1.00 0.00 N ATOM 565 CA PHE A 39 3.775 11.505 -6.577 1.00 0.00 C ATOM 566 C PHE A 39 3.258 10.104 -6.891 1.00 0.00 C ATOM 567 O PHE A 39 3.198 9.229 -6.028 1.00 0.00 O ATOM 568 CB PHE A 39 5.041 11.413 -5.722 1.00 0.00 C ATOM 569 CG PHE A 39 5.449 12.723 -5.112 1.00 0.00 C ATOM 570 CD1 PHE A 39 4.802 13.210 -3.987 1.00 0.00 C ATOM 571 CD2 PHE A 39 6.479 13.469 -5.662 1.00 0.00 C ATOM 572 CE1 PHE A 39 5.175 14.416 -3.424 1.00 0.00 C ATOM 573 CE2 PHE A 39 6.856 14.675 -5.103 1.00 0.00 C ATOM 574 CZ PHE A 39 6.204 15.149 -3.982 1.00 0.00 C ATOM 0 H PHE A 39 2.692 12.117 -4.890 1.00 0.00 H new ATOM 0 HA PHE A 39 4.014 12.004 -7.516 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.880 10.685 -4.927 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.859 11.037 -6.337 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.997 12.641 -3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.993 13.103 -6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.662 14.785 -2.548 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.660 15.247 -5.543 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.498 16.091 -3.543 1.00 0.00 H new ATOM 584 N PRO A 40 2.874 9.887 -8.158 1.00 0.00 N ATOM 585 CA PRO A 40 2.354 8.595 -8.616 1.00 0.00 C ATOM 586 C PRO A 40 3.432 7.517 -8.655 1.00 0.00 C ATOM 587 O PRO A 40 4.618 7.805 -8.491 1.00 0.00 O ATOM 588 CB PRO A 40 1.849 8.897 -10.030 1.00 0.00 C ATOM 589 CG PRO A 40 2.652 10.071 -10.476 1.00 0.00 C ATOM 590 CD PRO A 40 2.917 10.885 -9.240 1.00 0.00 C ATOM 0 HA PRO A 40 1.586 8.205 -7.948 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.993 8.044 -10.693 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.783 9.124 -10.030 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.585 9.752 -10.941 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.109 10.655 -11.219 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.885 11.384 -9.288 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.164 11.661 -9.101 1.00 0.00 H new ATOM 598 N CYS A 41 3.013 6.275 -8.873 1.00 0.00 N ATOM 599 CA CYS A 41 3.942 5.154 -8.934 1.00 0.00 C ATOM 600 C CYS A 41 4.136 4.685 -10.373 1.00 0.00 C ATOM 601 O CYS A 41 3.250 4.063 -10.958 1.00 0.00 O ATOM 602 CB CYS A 41 3.433 3.996 -8.073 1.00 0.00 C ATOM 603 SG CYS A 41 4.649 2.663 -7.825 1.00 0.00 S ATOM 0 H CYS A 41 2.035 6.020 -9.010 1.00 0.00 H new ATOM 0 HA CYS A 41 4.904 5.491 -8.548 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.133 4.385 -7.100 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.540 3.577 -8.538 1.00 0.00 H new ATOM 608 N GLU A 42 5.301 4.988 -10.936 1.00 0.00 N ATOM 609 CA GLU A 42 5.611 4.598 -12.307 1.00 0.00 C ATOM 610 C GLU A 42 5.717 3.080 -12.430 1.00 0.00 C ATOM 611 O GLU A 42 5.962 2.550 -13.513 1.00 0.00 O ATOM 612 CB GLU A 42 6.918 5.250 -12.763 1.00 0.00 C ATOM 613 CG GLU A 42 8.135 4.785 -11.981 1.00 0.00 C ATOM 614 CD GLU A 42 8.712 3.488 -12.516 1.00 0.00 C ATOM 615 OE1 GLU A 42 8.236 2.412 -12.099 1.00 0.00 O ATOM 616 OE2 GLU A 42 9.638 3.550 -13.352 1.00 0.00 O ATOM 0 H GLU A 42 6.045 5.502 -10.465 1.00 0.00 H new ATOM 0 HA GLU A 42 4.799 4.942 -12.948 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.072 5.035 -13.820 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.827 6.332 -12.668 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.901 5.560 -12.014 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.861 4.652 -10.935 1.00 0.00 H new ATOM 623 N PHE A 43 5.530 2.387 -11.311 1.00 0.00 N ATOM 624 CA PHE A 43 5.605 0.931 -11.293 1.00 0.00 C ATOM 625 C PHE A 43 4.224 0.312 -11.487 1.00 0.00 C ATOM 626 O PHE A 43 4.029 -0.539 -12.355 1.00 0.00 O ATOM 627 CB PHE A 43 6.212 0.448 -9.974 1.00 0.00 C ATOM 628 CG PHE A 43 7.695 0.218 -10.045 1.00 0.00 C ATOM 629 CD1 PHE A 43 8.206 -0.902 -10.681 1.00 0.00 C ATOM 630 CD2 PHE A 43 8.578 1.121 -9.474 1.00 0.00 C ATOM 631 CE1 PHE A 43 9.570 -1.116 -10.749 1.00 0.00 C ATOM 632 CE2 PHE A 43 9.942 0.912 -9.539 1.00 0.00 C ATOM 633 CZ PHE A 43 10.439 -0.208 -10.176 1.00 0.00 C ATOM 0 H PHE A 43 5.326 2.810 -10.406 1.00 0.00 H new ATOM 0 HA PHE A 43 6.244 0.615 -12.117 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.003 1.183 -9.197 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.722 -0.479 -9.676 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.531 -1.616 -11.129 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.195 1.998 -8.973 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.956 -1.992 -11.249 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.620 1.624 -9.092 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.505 -0.374 -10.226 1.00 0.00 H new ATOM 643 N CYS A 44 3.268 0.746 -10.672 1.00 0.00 N ATOM 644 CA CYS A 44 1.905 0.236 -10.752 1.00 0.00 C ATOM 645 C CYS A 44 0.926 1.352 -11.101 1.00 0.00 C ATOM 646 O CYS A 44 -0.048 1.136 -11.821 1.00 0.00 O ATOM 647 CB CYS A 44 1.503 -0.414 -9.426 1.00 0.00 C ATOM 648 SG CYS A 44 1.578 0.709 -7.995 1.00 0.00 S ATOM 0 H CYS A 44 3.413 1.450 -9.948 1.00 0.00 H new ATOM 0 HA CYS A 44 1.870 -0.514 -11.542 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.489 -0.802 -9.517 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.155 -1.267 -9.239 1.00 0.00 H new ATOM 653 N GLY A 45 1.192 2.548 -10.584 1.00 0.00 N ATOM 654 CA GLY A 45 0.325 3.681 -10.852 1.00 0.00 C ATOM 655 C GLY A 45 -0.183 4.336 -9.583 1.00 0.00 C ATOM 656 O GLY A 45 -0.810 5.394 -9.629 1.00 0.00 O ATOM 0 H GLY A 45 1.992 2.752 -9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.868 4.417 -11.445 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.523 3.351 -11.452 1.00 0.00 H new ATOM 660 N LYS A 46 0.087 3.705 -8.445 1.00 0.00 N ATOM 661 CA LYS A 46 -0.347 4.231 -7.157 1.00 0.00 C ATOM 662 C LYS A 46 0.085 5.684 -6.989 1.00 0.00 C ATOM 663 O LYS A 46 0.720 6.259 -7.873 1.00 0.00 O ATOM 664 CB LYS A 46 0.224 3.383 -6.018 1.00 0.00 C ATOM 665 CG LYS A 46 -0.554 2.104 -5.762 1.00 0.00 C ATOM 666 CD LYS A 46 0.107 1.254 -4.690 1.00 0.00 C ATOM 667 CE LYS A 46 -0.373 1.639 -3.299 1.00 0.00 C ATOM 668 NZ LYS A 46 0.627 1.293 -2.252 1.00 0.00 N ATOM 0 H LYS A 46 0.605 2.828 -8.389 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.436 4.188 -7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.258 3.129 -6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.238 3.978 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.571 2.351 -5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.629 1.532 -6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.111 0.202 -4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.189 1.370 -4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.576 2.710 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.313 1.130 -3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.149 1.197 -1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.089 0.394 -2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.342 2.045 -2.193 1.00 0.00 H new ATOM 682 N ARG A 47 -0.262 6.272 -5.848 1.00 0.00 N ATOM 683 CA ARG A 47 0.090 7.658 -5.565 1.00 0.00 C ATOM 684 C ARG A 47 0.369 7.855 -4.078 1.00 0.00 C ATOM 685 O ARG A 47 -0.340 7.318 -3.227 1.00 0.00 O ATOM 686 CB ARG A 47 -1.033 8.594 -6.013 1.00 0.00 C ATOM 687 CG ARG A 47 -1.286 8.569 -7.512 1.00 0.00 C ATOM 688 CD ARG A 47 -2.675 9.089 -7.851 1.00 0.00 C ATOM 689 NE ARG A 47 -3.707 8.080 -7.627 1.00 0.00 N ATOM 690 CZ ARG A 47 -4.991 8.268 -7.910 1.00 0.00 C ATOM 691 NH1 ARG A 47 -5.399 9.419 -8.425 1.00 0.00 N ATOM 692 NH2 ARG A 47 -5.871 7.301 -7.678 1.00 0.00 N ATOM 0 H ARG A 47 -0.786 5.810 -5.105 1.00 0.00 H new ATOM 0 HA ARG A 47 0.996 7.897 -6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.951 8.320 -5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.788 9.612 -5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.535 9.175 -8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.177 7.550 -7.884 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.891 9.969 -7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.699 9.407 -8.893 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.426 7.182 -7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.726 10.164 -8.605 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.386 9.560 -8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.561 6.413 -7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.857 7.446 -7.895 1.00 0.00 H new ATOM 706 N PHE A 48 1.405 8.629 -3.773 1.00 0.00 N ATOM 707 CA PHE A 48 1.778 8.896 -2.389 1.00 0.00 C ATOM 708 C PHE A 48 1.882 10.397 -2.133 1.00 0.00 C ATOM 709 O PHE A 48 2.097 11.180 -3.058 1.00 0.00 O ATOM 710 CB PHE A 48 3.109 8.218 -2.057 1.00 0.00 C ATOM 711 CG PHE A 48 3.086 6.728 -2.246 1.00 0.00 C ATOM 712 CD1 PHE A 48 2.869 6.179 -3.500 1.00 0.00 C ATOM 713 CD2 PHE A 48 3.281 5.877 -1.171 1.00 0.00 C ATOM 714 CE1 PHE A 48 2.847 4.808 -3.676 1.00 0.00 C ATOM 715 CE2 PHE A 48 3.260 4.505 -1.341 1.00 0.00 C ATOM 716 CZ PHE A 48 3.044 3.970 -2.596 1.00 0.00 C ATOM 0 H PHE A 48 2.001 9.082 -4.466 1.00 0.00 H new ATOM 0 HA PHE A 48 0.999 8.488 -1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.891 8.644 -2.685 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.373 8.441 -1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.715 6.829 -4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.452 6.290 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.676 4.392 -4.658 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.412 3.853 -0.494 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.029 2.899 -2.732 1.00 0.00 H new ATOM 726 N GLU A 49 1.727 10.789 -0.873 1.00 0.00 N ATOM 727 CA GLU A 49 1.802 12.196 -0.496 1.00 0.00 C ATOM 728 C GLU A 49 3.226 12.723 -0.643 1.00 0.00 C ATOM 729 O GLU A 49 3.461 13.931 -0.598 1.00 0.00 O ATOM 730 CB GLU A 49 1.321 12.387 0.944 1.00 0.00 C ATOM 731 CG GLU A 49 1.862 11.346 1.910 1.00 0.00 C ATOM 732 CD GLU A 49 2.055 11.894 3.310 1.00 0.00 C ATOM 733 OE1 GLU A 49 2.267 13.118 3.444 1.00 0.00 O ATOM 734 OE2 GLU A 49 1.995 11.100 4.272 1.00 0.00 O ATOM 0 H GLU A 49 1.549 10.153 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 49 1.153 12.761 -1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.616 13.378 1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.232 12.355 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.177 10.499 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.814 10.970 1.537 1.00 0.00 H new ATOM 741 N LYS A 50 4.174 11.809 -0.818 1.00 0.00 N ATOM 742 CA LYS A 50 5.576 12.179 -0.973 1.00 0.00 C ATOM 743 C LYS A 50 6.352 11.083 -1.696 1.00 0.00 C ATOM 744 O LYS A 50 5.934 9.926 -1.751 1.00 0.00 O ATOM 745 CB LYS A 50 6.207 12.449 0.395 1.00 0.00 C ATOM 746 CG LYS A 50 5.594 11.632 1.519 1.00 0.00 C ATOM 747 CD LYS A 50 6.338 11.838 2.828 1.00 0.00 C ATOM 748 CE LYS A 50 6.047 13.207 3.425 1.00 0.00 C ATOM 749 NZ LYS A 50 4.839 13.187 4.295 1.00 0.00 N ATOM 0 H LYS A 50 3.997 10.805 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 50 5.622 13.088 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.275 12.235 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.105 13.509 0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.548 11.913 1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.610 10.575 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.050 11.062 3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.410 11.734 2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.907 13.540 4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.905 13.930 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.947 13.889 5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.999 13.417 3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.727 12.241 4.712 1.00 0.00 H new ATOM 763 N PRO A 51 7.510 11.452 -2.262 1.00 0.00 N ATOM 764 CA PRO A 51 8.370 10.514 -2.990 1.00 0.00 C ATOM 765 C PRO A 51 9.033 9.498 -2.066 1.00 0.00 C ATOM 766 O PRO A 51 9.127 8.315 -2.393 1.00 0.00 O ATOM 767 CB PRO A 51 9.423 11.421 -3.631 1.00 0.00 C ATOM 768 CG PRO A 51 9.469 12.625 -2.754 1.00 0.00 C ATOM 769 CD PRO A 51 8.070 12.814 -2.236 1.00 0.00 C ATOM 0 HA PRO A 51 7.806 9.919 -3.709 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.394 10.928 -3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.149 11.685 -4.652 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.173 12.484 -1.934 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.800 13.501 -3.311 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.067 13.231 -1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.497 13.496 -2.865 1.00 0.00 H new ATOM 777 N ASP A 52 9.490 9.968 -0.910 1.00 0.00 N ATOM 778 CA ASP A 52 10.143 9.100 0.063 1.00 0.00 C ATOM 779 C ASP A 52 9.353 7.810 0.257 1.00 0.00 C ATOM 780 O ASP A 52 9.930 6.734 0.418 1.00 0.00 O ATOM 781 CB ASP A 52 10.298 9.824 1.401 1.00 0.00 C ATOM 782 CG ASP A 52 10.520 8.866 2.555 1.00 0.00 C ATOM 783 OD1 ASP A 52 11.639 8.324 2.670 1.00 0.00 O ATOM 784 OD2 ASP A 52 9.575 8.660 3.345 1.00 0.00 O ATOM 0 H ASP A 52 9.420 10.945 -0.624 1.00 0.00 H new ATOM 0 HA ASP A 52 11.131 8.845 -0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.137 10.517 1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.406 10.420 1.594 1.00 0.00 H new ATOM 789 N SER A 53 8.029 7.925 0.242 1.00 0.00 N ATOM 790 CA SER A 53 7.159 6.768 0.421 1.00 0.00 C ATOM 791 C SER A 53 7.038 5.973 -0.876 1.00 0.00 C ATOM 792 O SER A 53 6.866 4.754 -0.856 1.00 0.00 O ATOM 793 CB SER A 53 5.772 7.215 0.889 1.00 0.00 C ATOM 794 OG SER A 53 5.201 6.263 1.770 1.00 0.00 O ATOM 0 H SER A 53 7.535 8.807 0.108 1.00 0.00 H new ATOM 0 HA SER A 53 7.602 6.125 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.847 8.180 1.390 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.121 7.354 0.026 1.00 0.00 H new ATOM 0 HG SER A 53 4.316 6.572 2.056 1.00 0.00 H new ATOM 800 N VAL A 54 7.130 6.673 -2.002 1.00 0.00 N ATOM 801 CA VAL A 54 7.033 6.033 -3.309 1.00 0.00 C ATOM 802 C VAL A 54 8.251 5.160 -3.586 1.00 0.00 C ATOM 803 O VAL A 54 8.160 4.153 -4.287 1.00 0.00 O ATOM 804 CB VAL A 54 6.895 7.075 -4.435 1.00 0.00 C ATOM 805 CG1 VAL A 54 7.600 6.597 -5.695 1.00 0.00 C ATOM 806 CG2 VAL A 54 5.428 7.368 -4.713 1.00 0.00 C ATOM 0 H VAL A 54 7.271 7.683 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 54 6.140 5.409 -3.290 1.00 0.00 H new ATOM 0 HB VAL A 54 7.371 8.000 -4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.492 7.346 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.658 6.443 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.156 5.658 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.349 8.106 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.925 6.450 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.957 7.758 -3.810 1.00 0.00 H new ATOM 816 N ALA A 55 9.393 5.553 -3.030 1.00 0.00 N ATOM 817 CA ALA A 55 10.630 4.805 -3.215 1.00 0.00 C ATOM 818 C ALA A 55 10.633 3.533 -2.373 1.00 0.00 C ATOM 819 O ALA A 55 11.128 2.493 -2.806 1.00 0.00 O ATOM 820 CB ALA A 55 11.829 5.674 -2.865 1.00 0.00 C ATOM 0 H ALA A 55 9.487 6.385 -2.448 1.00 0.00 H new ATOM 0 HA ALA A 55 10.698 4.516 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 55 12.746 5.103 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 55 11.844 6.551 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.757 5.991 -1.825 1.00 0.00 H new ATOM 826 N ALA A 56 10.078 3.624 -1.169 1.00 0.00 N ATOM 827 CA ALA A 56 10.016 2.480 -0.268 1.00 0.00 C ATOM 828 C ALA A 56 8.955 1.482 -0.721 1.00 0.00 C ATOM 829 O ALA A 56 9.156 0.269 -0.641 1.00 0.00 O ATOM 830 CB ALA A 56 9.735 2.943 1.154 1.00 0.00 C ATOM 0 H ALA A 56 9.665 4.478 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 56 10.983 1.978 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.691 2.078 1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.530 3.612 1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.782 3.471 1.183 1.00 0.00 H new ATOM 836 N HIS A 57 7.827 1.999 -1.196 1.00 0.00 N ATOM 837 CA HIS A 57 6.734 1.152 -1.661 1.00 0.00 C ATOM 838 C HIS A 57 7.213 0.197 -2.751 1.00 0.00 C ATOM 839 O HIS A 57 6.741 -0.936 -2.848 1.00 0.00 O ATOM 840 CB HIS A 57 5.585 2.011 -2.189 1.00 0.00 C ATOM 841 CG HIS A 57 4.770 1.335 -3.249 1.00 0.00 C ATOM 842 ND1 HIS A 57 3.982 0.231 -3.003 1.00 0.00 N ATOM 843 CD2 HIS A 57 4.623 1.614 -4.565 1.00 0.00 C ATOM 844 CE1 HIS A 57 3.386 -0.141 -4.122 1.00 0.00 C ATOM 845 NE2 HIS A 57 3.759 0.683 -5.086 1.00 0.00 N ATOM 0 H HIS A 57 7.645 3.000 -1.269 1.00 0.00 H new ATOM 0 HA HIS A 57 6.379 0.562 -0.816 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.933 2.282 -1.358 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.991 2.939 -2.591 1.00 0.00 H new ATOM 0 HD1 HIS A 57 3.876 -0.227 -2.098 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.097 2.420 -5.105 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.710 -0.976 -4.231 1.00 0.00 H new ATOM 853 N ARG A 58 8.153 0.662 -3.567 1.00 0.00 N ATOM 854 CA ARG A 58 8.694 -0.150 -4.651 1.00 0.00 C ATOM 855 C ARG A 58 9.598 -1.251 -4.105 1.00 0.00 C ATOM 856 O ARG A 58 9.852 -2.250 -4.778 1.00 0.00 O ATOM 857 CB ARG A 58 9.474 0.726 -5.633 1.00 0.00 C ATOM 858 CG ARG A 58 8.662 1.880 -6.197 1.00 0.00 C ATOM 859 CD ARG A 58 9.555 3.040 -6.609 1.00 0.00 C ATOM 860 NE ARG A 58 8.786 4.156 -7.155 1.00 0.00 N ATOM 861 CZ ARG A 58 9.335 5.188 -7.786 1.00 0.00 C ATOM 862 NH1 ARG A 58 10.649 5.245 -7.951 1.00 0.00 N ATOM 863 NH2 ARG A 58 8.568 6.165 -8.254 1.00 0.00 N ATOM 0 H ARG A 58 8.556 1.597 -3.498 1.00 0.00 H new ATOM 0 HA ARG A 58 7.859 -0.615 -5.175 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.355 1.124 -5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.829 0.106 -6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.089 1.537 -7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.943 2.220 -5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.127 3.382 -5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.274 2.697 -7.353 1.00 0.00 H new ATOM 0 HE ARG A 58 7.772 4.142 -7.046 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.241 4.495 -7.593 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.068 6.038 -8.436 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.557 6.124 -8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.990 6.957 -8.738 1.00 0.00 H new ATOM 877 N SER A 59 10.081 -1.061 -2.882 1.00 0.00 N ATOM 878 CA SER A 59 10.961 -2.036 -2.247 1.00 0.00 C ATOM 879 C SER A 59 10.159 -3.026 -1.408 1.00 0.00 C ATOM 880 O SER A 59 10.701 -4.005 -0.895 1.00 0.00 O ATOM 881 CB SER A 59 11.995 -1.326 -1.370 1.00 0.00 C ATOM 882 OG SER A 59 12.815 -2.261 -0.691 1.00 0.00 O ATOM 0 H SER A 59 9.878 -0.241 -2.310 1.00 0.00 H new ATOM 0 HA SER A 59 11.478 -2.588 -3.032 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.614 -0.675 -1.987 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.487 -0.690 -0.646 1.00 0.00 H new ATOM 0 HG SER A 59 12.392 -3.145 -0.714 1.00 0.00 H new ATOM 888 N LYS A 60 8.864 -2.763 -1.272 1.00 0.00 N ATOM 889 CA LYS A 60 7.984 -3.630 -0.496 1.00 0.00 C ATOM 890 C LYS A 60 6.893 -4.228 -1.379 1.00 0.00 C ATOM 891 O LYS A 60 6.376 -5.308 -1.096 1.00 0.00 O ATOM 892 CB LYS A 60 7.351 -2.848 0.657 1.00 0.00 C ATOM 893 CG LYS A 60 8.333 -2.485 1.758 1.00 0.00 C ATOM 894 CD LYS A 60 7.614 -2.063 3.028 1.00 0.00 C ATOM 895 CE LYS A 60 7.411 -3.240 3.971 1.00 0.00 C ATOM 896 NZ LYS A 60 6.101 -3.911 3.745 1.00 0.00 N ATOM 0 H LYS A 60 8.400 -1.956 -1.689 1.00 0.00 H new ATOM 0 HA LYS A 60 8.584 -4.444 -0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.905 -1.934 0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.541 -3.439 1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.976 -3.339 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.979 -1.676 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.189 -1.286 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.647 -1.629 2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.217 -3.960 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.468 -2.893 5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.845 -4.464 4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.370 -3.193 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.173 -4.544 2.923 1.00 0.00 H new ATOM 910 N SER A 61 6.550 -3.519 -2.450 1.00 0.00 N ATOM 911 CA SER A 61 5.519 -3.979 -3.372 1.00 0.00 C ATOM 912 C SER A 61 6.120 -4.320 -4.732 1.00 0.00 C ATOM 913 O SER A 61 5.623 -5.195 -5.442 1.00 0.00 O ATOM 914 CB SER A 61 4.436 -2.911 -3.534 1.00 0.00 C ATOM 915 OG SER A 61 3.433 -3.047 -2.542 1.00 0.00 O ATOM 0 H SER A 61 6.971 -2.624 -2.700 1.00 0.00 H new ATOM 0 HA SER A 61 5.070 -4.881 -2.956 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.885 -1.920 -3.468 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.986 -2.992 -4.524 1.00 0.00 H new ATOM 0 HG SER A 61 2.754 -2.352 -2.666 1.00 0.00 H new ATOM 921 N HIS A 62 7.194 -3.623 -5.090 1.00 0.00 N ATOM 922 CA HIS A 62 7.865 -3.851 -6.364 1.00 0.00 C ATOM 923 C HIS A 62 9.300 -4.320 -6.147 1.00 0.00 C ATOM 924 O HIS A 62 10.194 -4.053 -6.950 1.00 0.00 O ATOM 925 CB HIS A 62 7.855 -2.574 -7.206 1.00 0.00 C ATOM 926 CG HIS A 62 6.480 -2.118 -7.586 1.00 0.00 C ATOM 927 ND1 HIS A 62 5.667 -2.817 -8.452 1.00 0.00 N ATOM 928 CD2 HIS A 62 5.775 -1.025 -7.210 1.00 0.00 C ATOM 929 CE1 HIS A 62 4.522 -2.174 -8.595 1.00 0.00 C ATOM 930 NE2 HIS A 62 4.561 -1.083 -7.851 1.00 0.00 N ATOM 0 H HIS A 62 7.618 -2.895 -4.515 1.00 0.00 H new ATOM 0 HA HIS A 62 7.323 -4.633 -6.896 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.352 -1.779 -6.651 1.00 0.00 H new ATOM 0 HB3 HIS A 62 8.437 -2.742 -8.112 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.911 -3.694 -8.911 1.00 0.00 H new ATOM 0 HD2 HIS A 62 6.105 -0.252 -6.532 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.695 -2.487 -9.215 1.00 0.00 H new ATOM 938 N PRO A 63 9.527 -5.035 -5.035 1.00 0.00 N ATOM 939 CA PRO A 63 10.853 -5.556 -4.686 1.00 0.00 C ATOM 940 C PRO A 63 11.298 -6.679 -5.617 1.00 0.00 C ATOM 941 O PRO A 63 12.463 -7.074 -5.615 1.00 0.00 O ATOM 942 CB PRO A 63 10.662 -6.085 -3.262 1.00 0.00 C ATOM 943 CG PRO A 63 9.209 -6.400 -3.167 1.00 0.00 C ATOM 944 CD PRO A 63 8.508 -5.390 -4.033 1.00 0.00 C ATOM 0 HA PRO A 63 11.627 -4.793 -4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.272 -6.971 -3.084 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.955 -5.342 -2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.007 -7.415 -3.509 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.863 -6.337 -2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.616 -5.809 -4.498 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.189 -4.520 -3.459 1.00 0.00 H new ATOM 952 N ALA A 64 10.362 -7.188 -6.411 1.00 0.00 N ATOM 953 CA ALA A 64 10.659 -8.264 -7.349 1.00 0.00 C ATOM 954 C ALA A 64 11.045 -7.710 -8.716 1.00 0.00 C ATOM 955 O ALA A 64 11.521 -8.444 -9.583 1.00 0.00 O ATOM 956 CB ALA A 64 9.466 -9.200 -7.474 1.00 0.00 C ATOM 0 H ALA A 64 9.392 -6.873 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 64 11.508 -8.826 -6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.702 -9.998 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.238 -9.631 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.602 -8.642 -7.835 1.00 0.00 H new ATOM 962 N LEU A 65 10.837 -6.411 -8.903 1.00 0.00 N ATOM 963 CA LEU A 65 11.162 -5.758 -10.166 1.00 0.00 C ATOM 964 C LEU A 65 12.563 -5.154 -10.122 1.00 0.00 C ATOM 965 O LEU A 65 13.377 -5.383 -11.017 1.00 0.00 O ATOM 966 CB LEU A 65 10.135 -4.669 -10.479 1.00 0.00 C ATOM 967 CG LEU A 65 8.721 -5.153 -10.803 1.00 0.00 C ATOM 968 CD1 LEU A 65 7.782 -3.971 -10.989 1.00 0.00 C ATOM 969 CD2 LEU A 65 8.730 -6.030 -12.046 1.00 0.00 C ATOM 0 H LEU A 65 10.445 -5.789 -8.196 1.00 0.00 H new ATOM 0 HA LEU A 65 11.135 -6.511 -10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.080 -3.994 -9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.500 -4.085 -11.324 1.00 0.00 H new ATOM 0 HG LEU A 65 8.360 -5.749 -9.965 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.780 -4.335 -11.219 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.753 -3.382 -10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.139 -3.348 -11.809 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.716 -6.366 -12.262 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.111 -5.458 -12.892 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.370 -6.896 -11.876 1.00 0.00 H new ATOM 981 N LEU A 66 12.837 -4.386 -9.074 1.00 0.00 N ATOM 982 CA LEU A 66 14.140 -3.751 -8.911 1.00 0.00 C ATOM 983 C LEU A 66 15.266 -4.732 -9.220 1.00 0.00 C ATOM 984 O LEU A 66 16.174 -4.428 -9.995 1.00 0.00 O ATOM 985 CB LEU A 66 14.293 -3.213 -7.487 1.00 0.00 C ATOM 986 CG LEU A 66 13.177 -2.292 -6.994 1.00 0.00 C ATOM 987 CD1 LEU A 66 13.034 -2.388 -5.483 1.00 0.00 C ATOM 988 CD2 LEU A 66 13.445 -0.855 -7.416 1.00 0.00 C ATOM 0 H LEU A 66 12.175 -4.188 -8.324 1.00 0.00 H new ATOM 0 HA LEU A 66 14.203 -2.921 -9.615 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.365 -4.061 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.237 -2.672 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 66 12.240 -2.614 -7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.235 -1.726 -5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.794 -3.414 -5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.970 -2.093 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.640 -0.214 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 66 14.392 -0.522 -6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.495 -0.798 -8.503 1.00 0.00 H new ATOM 1000 N LEU A 67 15.201 -5.910 -8.610 1.00 0.00 N ATOM 1001 CA LEU A 67 16.214 -6.939 -8.821 1.00 0.00 C ATOM 1002 C LEU A 67 16.317 -7.306 -10.298 1.00 0.00 C ATOM 1003 O LEU A 67 15.341 -7.212 -11.041 1.00 0.00 O ATOM 1004 CB LEU A 67 15.885 -8.184 -7.996 1.00 0.00 C ATOM 1005 CG LEU A 67 16.607 -9.469 -8.403 1.00 0.00 C ATOM 1006 CD1 LEU A 67 17.946 -9.577 -7.690 1.00 0.00 C ATOM 1007 CD2 LEU A 67 15.742 -10.684 -8.104 1.00 0.00 C ATOM 0 H LEU A 67 14.457 -6.177 -7.965 1.00 0.00 H new ATOM 0 HA LEU A 67 17.175 -6.540 -8.496 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.118 -7.975 -6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 67 14.811 -8.360 -8.054 1.00 0.00 H new ATOM 0 HG LEU A 67 16.792 -9.435 -9.477 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.446 -10.498 -7.992 1.00 0.00 H new ATOM 0 HD12 LEU A 67 18.569 -8.722 -7.954 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.784 -9.588 -6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 67 16.272 -11.589 -8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 67 15.526 -10.723 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 67 14.808 -10.612 -8.661 1.00 0.00 H new ATOM 1019 N ALA A 68 17.507 -7.727 -10.716 1.00 0.00 N ATOM 1020 CA ALA A 68 17.737 -8.112 -12.103 1.00 0.00 C ATOM 1021 C ALA A 68 16.812 -9.252 -12.516 1.00 0.00 C ATOM 1022 O ALA A 68 16.276 -9.982 -11.682 1.00 0.00 O ATOM 1023 CB ALA A 68 19.191 -8.510 -12.306 1.00 0.00 C ATOM 0 H ALA A 68 18.326 -7.810 -10.114 1.00 0.00 H new ATOM 0 HA ALA A 68 17.516 -7.252 -12.735 1.00 0.00 H new ATOM 0 HB1 ALA A 68 19.348 -8.795 -13.346 1.00 0.00 H new ATOM 0 HB2 ALA A 68 19.837 -7.667 -12.059 1.00 0.00 H new ATOM 0 HB3 ALA A 68 19.431 -9.353 -11.658 1.00 0.00 H new ATOM 1029 N PRO A 69 16.618 -9.410 -13.834 1.00 0.00 N ATOM 1030 CA PRO A 69 15.757 -10.459 -14.387 1.00 0.00 C ATOM 1031 C PRO A 69 16.353 -11.852 -14.209 1.00 0.00 C ATOM 1032 O PRO A 69 17.004 -12.378 -15.112 1.00 0.00 O ATOM 1033 CB PRO A 69 15.671 -10.101 -15.873 1.00 0.00 C ATOM 1034 CG PRO A 69 16.915 -9.329 -16.149 1.00 0.00 C ATOM 1035 CD PRO A 69 17.224 -8.576 -14.885 1.00 0.00 C ATOM 0 HA PRO A 69 14.789 -10.497 -13.887 1.00 0.00 H new ATOM 0 HB2 PRO A 69 15.614 -10.996 -16.493 1.00 0.00 H new ATOM 0 HB3 PRO A 69 14.782 -9.508 -16.087 1.00 0.00 H new ATOM 0 HG2 PRO A 69 17.736 -9.994 -16.417 1.00 0.00 H new ATOM 0 HG3 PRO A 69 16.772 -8.645 -16.986 1.00 0.00 H new ATOM 0 HD2 PRO A 69 18.298 -8.462 -14.738 1.00 0.00 H new ATOM 0 HD3 PRO A 69 16.796 -7.574 -14.899 1.00 0.00 H new ATOM 1043 N GLN A 70 16.125 -12.443 -13.040 1.00 0.00 N ATOM 1044 CA GLN A 70 16.641 -13.774 -12.745 1.00 0.00 C ATOM 1045 C GLN A 70 15.577 -14.838 -12.996 1.00 0.00 C ATOM 1046 O GLN A 70 15.810 -15.803 -13.722 1.00 0.00 O ATOM 1047 CB GLN A 70 17.121 -13.848 -11.295 1.00 0.00 C ATOM 1048 CG GLN A 70 18.575 -13.441 -11.114 1.00 0.00 C ATOM 1049 CD GLN A 70 18.932 -13.183 -9.663 1.00 0.00 C ATOM 1050 OE1 GLN A 70 19.338 -12.079 -9.299 1.00 0.00 O ATOM 1051 NE2 GLN A 70 18.782 -14.202 -8.826 1.00 0.00 N ATOM 0 H GLN A 70 15.587 -12.021 -12.283 1.00 0.00 H new ATOM 0 HA GLN A 70 17.484 -13.965 -13.409 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.493 -13.204 -10.680 1.00 0.00 H new ATOM 0 HB3 GLN A 70 16.989 -14.866 -10.929 1.00 0.00 H new ATOM 0 HG2 GLN A 70 19.220 -14.226 -11.509 1.00 0.00 H new ATOM 0 HG3 GLN A 70 18.772 -12.542 -11.698 1.00 0.00 H new ATOM 0 HE21 GLN A 70 18.442 -15.100 -9.171 1.00 0.00 H new ATOM 0 HE22 GLN A 70 19.006 -14.087 -7.838 1.00 0.00 H new ATOM 1060 N GLU A 71 14.408 -14.653 -12.389 1.00 0.00 N ATOM 1061 CA GLU A 71 13.309 -15.599 -12.546 1.00 0.00 C ATOM 1062 C GLU A 71 12.117 -14.937 -13.232 1.00 0.00 C ATOM 1063 O GLU A 71 10.996 -15.443 -13.175 1.00 0.00 O ATOM 1064 CB GLU A 71 12.885 -16.153 -11.185 1.00 0.00 C ATOM 1065 CG GLU A 71 13.777 -17.275 -10.680 1.00 0.00 C ATOM 1066 CD GLU A 71 13.418 -18.621 -11.280 1.00 0.00 C ATOM 1067 OE1 GLU A 71 12.242 -19.025 -11.170 1.00 0.00 O ATOM 1068 OE2 GLU A 71 14.314 -19.269 -11.859 1.00 0.00 O ATOM 0 H GLU A 71 14.198 -13.858 -11.785 1.00 0.00 H new ATOM 0 HA GLU A 71 13.657 -16.421 -13.172 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.887 -15.343 -10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.860 -16.518 -11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.816 -17.042 -10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.701 -17.334 -9.594 1.00 0.00 H new ATOM 1075 N SER A 72 12.368 -13.804 -13.879 1.00 0.00 N ATOM 1076 CA SER A 72 11.315 -13.070 -14.572 1.00 0.00 C ATOM 1077 C SER A 72 10.604 -13.965 -15.583 1.00 0.00 C ATOM 1078 O SER A 72 9.376 -14.040 -15.606 1.00 0.00 O ATOM 1079 CB SER A 72 11.899 -11.846 -15.280 1.00 0.00 C ATOM 1080 OG SER A 72 10.882 -10.917 -15.613 1.00 0.00 O ATOM 0 H SER A 72 13.291 -13.374 -13.938 1.00 0.00 H new ATOM 0 HA SER A 72 10.588 -12.740 -13.830 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.637 -11.367 -14.636 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.420 -12.159 -16.185 1.00 0.00 H new ATOM 0 HG SER A 72 11.281 -10.143 -16.063 1.00 0.00 H new ATOM 1086 N SER A 73 11.386 -14.643 -16.417 1.00 0.00 N ATOM 1087 CA SER A 73 10.833 -15.531 -17.433 1.00 0.00 C ATOM 1088 C SER A 73 9.614 -16.276 -16.897 1.00 0.00 C ATOM 1089 O SER A 73 8.551 -16.277 -17.516 1.00 0.00 O ATOM 1090 CB SER A 73 11.893 -16.530 -17.899 1.00 0.00 C ATOM 1091 OG SER A 73 12.341 -17.337 -16.824 1.00 0.00 O ATOM 0 H SER A 73 12.405 -14.594 -16.409 1.00 0.00 H new ATOM 0 HA SER A 73 10.521 -14.923 -18.282 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.480 -17.162 -18.685 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.737 -15.994 -18.332 1.00 0.00 H new ATOM 0 HG SER A 73 13.017 -17.968 -17.148 1.00 0.00 H new ATOM 1097 N GLY A 74 9.779 -16.912 -15.741 1.00 0.00 N ATOM 1098 CA GLY A 74 8.685 -17.653 -15.140 1.00 0.00 C ATOM 1099 C GLY A 74 7.569 -16.749 -14.655 1.00 0.00 C ATOM 1100 O GLY A 74 7.614 -15.530 -14.817 1.00 0.00 O ATOM 0 H GLY A 74 10.650 -16.927 -15.210 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.286 -18.359 -15.868 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.064 -18.239 -14.302 1.00 0.00 H new ATOM 1104 N PRO A 75 6.537 -17.352 -14.046 1.00 0.00 N ATOM 1105 CA PRO A 75 5.384 -16.612 -13.525 1.00 0.00 C ATOM 1106 C PRO A 75 5.739 -15.769 -12.305 1.00 0.00 C ATOM 1107 O PRO A 75 6.370 -16.254 -11.366 1.00 0.00 O ATOM 1108 CB PRO A 75 4.396 -17.717 -13.143 1.00 0.00 C ATOM 1109 CG PRO A 75 5.247 -18.911 -12.879 1.00 0.00 C ATOM 1110 CD PRO A 75 6.416 -18.802 -13.819 1.00 0.00 C ATOM 0 HA PRO A 75 4.991 -15.904 -14.254 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.816 -17.442 -12.262 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.685 -17.908 -13.947 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.581 -18.931 -11.842 1.00 0.00 H new ATOM 0 HG3 PRO A 75 4.691 -19.832 -13.052 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.324 -19.217 -13.381 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.235 -19.341 -14.749 1.00 0.00 H new ATOM 1118 N SER A 76 5.328 -14.505 -12.325 1.00 0.00 N ATOM 1119 CA SER A 76 5.607 -13.594 -11.221 1.00 0.00 C ATOM 1120 C SER A 76 4.323 -13.231 -10.480 1.00 0.00 C ATOM 1121 O SER A 76 3.232 -13.274 -11.047 1.00 0.00 O ATOM 1122 CB SER A 76 6.286 -12.325 -11.738 1.00 0.00 C ATOM 1123 OG SER A 76 5.525 -11.722 -12.770 1.00 0.00 O ATOM 0 H SER A 76 4.801 -14.089 -13.093 1.00 0.00 H new ATOM 0 HA SER A 76 6.278 -14.099 -10.526 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.416 -11.619 -10.918 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.281 -12.568 -12.110 1.00 0.00 H new ATOM 0 HG SER A 76 5.980 -10.912 -13.082 1.00 0.00 H new ATOM 1129 N SER A 77 4.464 -12.873 -9.207 1.00 0.00 N ATOM 1130 CA SER A 77 3.316 -12.506 -8.386 1.00 0.00 C ATOM 1131 C SER A 77 2.467 -11.446 -9.080 1.00 0.00 C ATOM 1132 O SER A 77 1.244 -11.560 -9.149 1.00 0.00 O ATOM 1133 CB SER A 77 3.782 -11.990 -7.023 1.00 0.00 C ATOM 1134 OG SER A 77 2.684 -11.563 -6.236 1.00 0.00 O ATOM 0 H SER A 77 5.361 -12.829 -8.723 1.00 0.00 H new ATOM 0 HA SER A 77 2.705 -13.397 -8.241 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.325 -12.777 -6.499 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.477 -11.162 -7.163 1.00 0.00 H new ATOM 0 HG SER A 77 3.009 -11.239 -5.370 1.00 0.00 H new ATOM 1140 N GLY A 78 3.127 -10.412 -9.595 1.00 0.00 N ATOM 1141 CA GLY A 78 2.418 -9.346 -10.278 1.00 0.00 C ATOM 1142 C GLY A 78 2.816 -7.972 -9.776 1.00 0.00 C ATOM 1143 O GLY A 78 3.991 -7.618 -9.866 1.00 0.00 O ATOM 0 H GLY A 78 4.139 -10.294 -9.551 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.615 -9.410 -11.348 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.345 -9.482 -10.143 1.00 0.00 H new TER 1147 GLY A 78 HETATM 1148 ZN ZN A 201 -6.558 2.089 3.657 1.00 0.00 ZN HETATM 1149 ZN ZN A 401 3.734 0.641 -7.133 1.00 0.00 ZN