USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 548 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 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot -28:sc= 1.11 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.729 K(o=1.8,f=-1.2!) USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0467 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 165:sc=-0.000769 (180deg=-0.174) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= -0.639 (180deg=-2.4!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 31 GLN : amide:sc= -0.0349 K(o=-0.035,f=-1.8!) USER MOD Single : A 32 LYS NZ :NH3+ 161:sc= -0.0712 (180deg=-0.423) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 83:sc= 0.337 USER MOD Single : A 49 GLN : amide:sc=-0.00654 X(o=-0.0065,f=-0.24) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00311 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 52:sc= -0.0981 USER MOD Single : A 59 LYS NZ :NH3+ -134:sc= 0 (180deg=-1.03) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= -0.0265 (180deg=-0.204) USER MOD Single : A 70 ASN : amide:sc= -0.166 K(o=-0.17,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -41.626 40.168 -6.689 1.00 0.00 N ATOM 2 CA GLY A 1 -40.542 40.231 -7.652 1.00 0.00 C ATOM 3 C GLY A 1 -40.632 39.138 -8.698 1.00 0.00 C ATOM 4 O GLY A 1 -41.716 38.629 -8.982 1.00 0.00 O ATOM 0 H1 GLY A 1 -41.918 41.132 -6.431 1.00 0.00 H new ATOM 0 H2 GLY A 1 -42.433 39.662 -7.107 1.00 0.00 H new ATOM 0 H3 GLY A 1 -41.305 39.664 -5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -40.554 41.203 -8.145 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.590 40.151 -7.128 1.00 0.00 H new ATOM 8 N SER A 2 -39.489 38.776 -9.273 1.00 0.00 N ATOM 9 CA SER A 2 -39.444 37.739 -10.297 1.00 0.00 C ATOM 10 C SER A 2 -38.069 37.080 -10.343 1.00 0.00 C ATOM 11 O SER A 2 -37.060 37.697 -10.000 1.00 0.00 O ATOM 12 CB SER A 2 -39.783 38.331 -11.667 1.00 0.00 C ATOM 13 OG SER A 2 -40.102 37.311 -12.598 1.00 0.00 O ATOM 0 H SER A 2 -38.583 39.185 -9.047 1.00 0.00 H new ATOM 0 HA SER A 2 -40.184 36.980 -10.043 1.00 0.00 H new ATOM 0 HB2 SER A 2 -40.624 39.017 -11.572 1.00 0.00 H new ATOM 0 HB3 SER A 2 -38.937 38.912 -12.035 1.00 0.00 H new ATOM 0 HG SER A 2 -40.316 37.715 -13.465 1.00 0.00 H new ATOM 19 N SER A 3 -38.037 35.821 -10.768 1.00 0.00 N ATOM 20 CA SER A 3 -36.787 35.075 -10.855 1.00 0.00 C ATOM 21 C SER A 3 -36.992 33.754 -11.590 1.00 0.00 C ATOM 22 O SER A 3 -38.108 33.418 -11.986 1.00 0.00 O ATOM 23 CB SER A 3 -36.227 34.811 -9.456 1.00 0.00 C ATOM 24 OG SER A 3 -37.065 33.928 -8.730 1.00 0.00 O ATOM 0 H SER A 3 -38.862 35.296 -11.057 1.00 0.00 H new ATOM 0 HA SER A 3 -36.073 35.677 -11.417 1.00 0.00 H new ATOM 0 HB2 SER A 3 -35.227 34.385 -9.536 1.00 0.00 H new ATOM 0 HB3 SER A 3 -36.131 35.753 -8.916 1.00 0.00 H new ATOM 0 HG SER A 3 -36.685 33.774 -7.840 1.00 0.00 H new ATOM 30 N GLY A 4 -35.906 33.009 -11.770 1.00 0.00 N ATOM 31 CA GLY A 4 -35.987 31.733 -12.457 1.00 0.00 C ATOM 32 C GLY A 4 -34.830 30.816 -12.116 1.00 0.00 C ATOM 33 O GLY A 4 -33.727 30.977 -12.639 1.00 0.00 O ATOM 0 H GLY A 4 -34.971 33.266 -11.452 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -36.925 31.242 -12.196 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -36.006 31.904 -13.533 1.00 0.00 H new ATOM 37 N SER A 5 -35.080 29.852 -11.236 1.00 0.00 N ATOM 38 CA SER A 5 -34.048 28.909 -10.821 1.00 0.00 C ATOM 39 C SER A 5 -34.638 27.810 -9.943 1.00 0.00 C ATOM 40 O SER A 5 -35.646 28.014 -9.267 1.00 0.00 O ATOM 41 CB SER A 5 -32.935 29.638 -10.065 1.00 0.00 C ATOM 42 OG SER A 5 -33.415 30.177 -8.846 1.00 0.00 O ATOM 0 H SER A 5 -35.988 29.703 -10.797 1.00 0.00 H new ATOM 0 HA SER A 5 -33.629 28.450 -11.716 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.116 28.948 -9.863 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.533 30.438 -10.686 1.00 0.00 H new ATOM 0 HG SER A 5 -32.685 30.636 -8.381 1.00 0.00 H new ATOM 48 N SER A 6 -34.003 26.642 -9.960 1.00 0.00 N ATOM 49 CA SER A 6 -34.466 25.508 -9.169 1.00 0.00 C ATOM 50 C SER A 6 -33.492 24.339 -9.275 1.00 0.00 C ATOM 51 O SER A 6 -32.561 24.362 -10.078 1.00 0.00 O ATOM 52 CB SER A 6 -35.857 25.071 -9.632 1.00 0.00 C ATOM 53 OG SER A 6 -36.591 24.496 -8.565 1.00 0.00 O ATOM 0 H SER A 6 -33.166 26.457 -10.513 1.00 0.00 H new ATOM 0 HA SER A 6 -34.519 25.821 -8.126 1.00 0.00 H new ATOM 0 HB2 SER A 6 -36.398 25.930 -10.029 1.00 0.00 H new ATOM 0 HB3 SER A 6 -35.764 24.350 -10.444 1.00 0.00 H new ATOM 0 HG SER A 6 -37.477 24.226 -8.885 1.00 0.00 H new ATOM 59 N GLY A 7 -33.715 23.315 -8.456 1.00 0.00 N ATOM 60 CA GLY A 7 -32.850 22.150 -8.472 1.00 0.00 C ATOM 61 C GLY A 7 -33.628 20.850 -8.486 1.00 0.00 C ATOM 62 O GLY A 7 -34.557 20.666 -7.700 1.00 0.00 O ATOM 0 H GLY A 7 -34.479 23.272 -7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -32.204 22.193 -9.349 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -32.201 22.172 -7.597 1.00 0.00 H new ATOM 66 N MET A 8 -33.251 19.946 -9.384 1.00 0.00 N ATOM 67 CA MET A 8 -33.921 18.656 -9.498 1.00 0.00 C ATOM 68 C MET A 8 -32.954 17.512 -9.208 1.00 0.00 C ATOM 69 O MET A 8 -31.833 17.491 -9.717 1.00 0.00 O ATOM 70 CB MET A 8 -34.520 18.490 -10.896 1.00 0.00 C ATOM 71 CG MET A 8 -35.555 19.548 -11.243 1.00 0.00 C ATOM 72 SD MET A 8 -36.603 19.066 -12.629 1.00 0.00 S ATOM 73 CE MET A 8 -37.678 17.869 -11.841 1.00 0.00 C ATOM 0 H MET A 8 -32.485 20.083 -10.043 1.00 0.00 H new ATOM 0 HA MET A 8 -34.723 18.626 -8.760 1.00 0.00 H new ATOM 0 HB2 MET A 8 -33.717 18.523 -11.633 1.00 0.00 H new ATOM 0 HB3 MET A 8 -34.980 17.505 -10.971 1.00 0.00 H new ATOM 0 HG2 MET A 8 -36.179 19.740 -10.370 1.00 0.00 H new ATOM 0 HG3 MET A 8 -35.047 20.482 -11.484 1.00 0.00 H new ATOM 0 HE1 MET A 8 -38.540 17.678 -12.480 1.00 0.00 H new ATOM 0 HE2 MET A 8 -37.132 16.940 -11.681 1.00 0.00 H new ATOM 0 HE3 MET A 8 -38.017 18.261 -10.882 1.00 0.00 H new ATOM 83 N ALA A 9 -33.394 16.564 -8.387 1.00 0.00 N ATOM 84 CA ALA A 9 -32.567 15.418 -8.032 1.00 0.00 C ATOM 85 C ALA A 9 -33.362 14.398 -7.223 1.00 0.00 C ATOM 86 O ALA A 9 -33.961 14.733 -6.201 1.00 0.00 O ATOM 87 CB ALA A 9 -31.341 15.872 -7.253 1.00 0.00 C ATOM 0 H ALA A 9 -34.318 16.567 -7.956 1.00 0.00 H new ATOM 0 HA ALA A 9 -32.240 14.938 -8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -30.733 15.005 -6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -30.755 16.558 -7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -31.657 16.379 -6.341 1.00 0.00 H new ATOM 93 N SER A 10 -33.363 13.153 -7.688 1.00 0.00 N ATOM 94 CA SER A 10 -34.088 12.085 -7.010 1.00 0.00 C ATOM 95 C SER A 10 -33.727 10.724 -7.598 1.00 0.00 C ATOM 96 O SER A 10 -33.637 10.565 -8.815 1.00 0.00 O ATOM 97 CB SER A 10 -35.597 12.315 -7.118 1.00 0.00 C ATOM 98 OG SER A 10 -36.028 12.248 -8.466 1.00 0.00 O ATOM 0 H SER A 10 -32.870 12.859 -8.531 1.00 0.00 H new ATOM 0 HA SER A 10 -33.800 12.095 -5.959 1.00 0.00 H new ATOM 0 HB2 SER A 10 -36.125 11.567 -6.526 1.00 0.00 H new ATOM 0 HB3 SER A 10 -35.850 13.289 -6.700 1.00 0.00 H new ATOM 0 HG SER A 10 -36.996 12.396 -8.508 1.00 0.00 H new ATOM 104 N GLY A 11 -33.521 9.744 -6.724 1.00 0.00 N ATOM 105 CA GLY A 11 -33.171 8.409 -7.174 1.00 0.00 C ATOM 106 C GLY A 11 -31.734 8.048 -6.857 1.00 0.00 C ATOM 107 O GLY A 11 -30.963 7.700 -7.751 1.00 0.00 O ATOM 0 H GLY A 11 -33.590 9.850 -5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -33.836 7.685 -6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -33.331 8.338 -8.250 1.00 0.00 H new ATOM 111 N GLN A 12 -31.372 8.133 -5.581 1.00 0.00 N ATOM 112 CA GLN A 12 -30.016 7.814 -5.149 1.00 0.00 C ATOM 113 C GLN A 12 -29.868 6.320 -4.879 1.00 0.00 C ATOM 114 O GLN A 12 -29.243 5.915 -3.898 1.00 0.00 O ATOM 115 CB GLN A 12 -29.658 8.609 -3.892 1.00 0.00 C ATOM 116 CG GLN A 12 -28.171 8.613 -3.577 1.00 0.00 C ATOM 117 CD GLN A 12 -27.867 9.174 -2.202 1.00 0.00 C ATOM 118 OE1 GLN A 12 -27.779 10.389 -2.021 1.00 0.00 O ATOM 119 NE2 GLN A 12 -27.705 8.291 -1.224 1.00 0.00 N ATOM 0 H GLN A 12 -31.998 8.420 -4.829 1.00 0.00 H new ATOM 0 HA GLN A 12 -29.332 8.089 -5.952 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -29.998 9.638 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -30.200 8.193 -3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -27.787 7.595 -3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -27.646 9.201 -4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -27.787 7.293 -1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -27.499 8.610 -0.277 1.00 0.00 H new ATOM 128 N PHE A 13 -30.447 5.505 -5.755 1.00 0.00 N ATOM 129 CA PHE A 13 -30.380 4.056 -5.610 1.00 0.00 C ATOM 130 C PHE A 13 -30.653 3.363 -6.942 1.00 0.00 C ATOM 131 O PHE A 13 -31.747 3.467 -7.497 1.00 0.00 O ATOM 132 CB PHE A 13 -31.386 3.580 -4.560 1.00 0.00 C ATOM 133 CG PHE A 13 -30.986 3.915 -3.152 1.00 0.00 C ATOM 134 CD1 PHE A 13 -30.053 3.143 -2.480 1.00 0.00 C ATOM 135 CD2 PHE A 13 -31.544 5.003 -2.499 1.00 0.00 C ATOM 136 CE1 PHE A 13 -29.683 3.449 -1.183 1.00 0.00 C ATOM 137 CE2 PHE A 13 -31.177 5.314 -1.204 1.00 0.00 C ATOM 138 CZ PHE A 13 -30.246 4.535 -0.545 1.00 0.00 C ATOM 0 H PHE A 13 -30.968 5.824 -6.572 1.00 0.00 H new ATOM 0 HA PHE A 13 -29.373 3.795 -5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -32.357 4.028 -4.770 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -31.507 2.500 -4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -29.609 2.292 -2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -32.274 5.615 -3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -28.954 2.839 -0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -31.618 6.166 -0.707 1.00 0.00 H new ATOM 0 HZ PHE A 13 -29.959 4.776 0.468 1.00 0.00 H new ATOM 148 N VAL A 14 -29.648 2.656 -7.451 1.00 0.00 N ATOM 149 CA VAL A 14 -29.778 1.945 -8.717 1.00 0.00 C ATOM 150 C VAL A 14 -29.908 0.443 -8.494 1.00 0.00 C ATOM 151 O VAL A 14 -29.258 -0.122 -7.616 1.00 0.00 O ATOM 152 CB VAL A 14 -28.573 2.214 -9.638 1.00 0.00 C ATOM 153 CG1 VAL A 14 -27.293 1.687 -9.009 1.00 0.00 C ATOM 154 CG2 VAL A 14 -28.800 1.592 -11.007 1.00 0.00 C ATOM 0 H VAL A 14 -28.735 2.561 -7.006 1.00 0.00 H new ATOM 0 HA VAL A 14 -30.683 2.317 -9.197 1.00 0.00 H new ATOM 0 HB VAL A 14 -28.469 3.291 -9.767 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -26.452 1.886 -9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -27.126 2.184 -8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -27.382 0.613 -8.848 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -27.939 1.792 -11.645 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -28.930 0.515 -10.900 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -29.694 2.023 -11.459 1.00 0.00 H new ATOM 164 N ASN A 15 -30.753 -0.198 -9.295 1.00 0.00 N ATOM 165 CA ASN A 15 -30.968 -1.636 -9.185 1.00 0.00 C ATOM 166 C ASN A 15 -30.193 -2.387 -10.263 1.00 0.00 C ATOM 167 O ASN A 15 -30.700 -2.618 -11.361 1.00 0.00 O ATOM 168 CB ASN A 15 -32.459 -1.959 -9.295 1.00 0.00 C ATOM 169 CG ASN A 15 -32.830 -3.236 -8.565 1.00 0.00 C ATOM 170 OD1 ASN A 15 -33.058 -3.229 -7.355 1.00 0.00 O ATOM 171 ND2 ASN A 15 -32.890 -4.341 -9.299 1.00 0.00 N ATOM 0 H ASN A 15 -31.300 0.256 -10.027 1.00 0.00 H new ATOM 0 HA ASN A 15 -30.603 -1.959 -8.210 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -33.038 -1.130 -8.889 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -32.731 -2.053 -10.346 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -33.133 -5.230 -8.863 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -32.693 -4.300 -10.299 1.00 0.00 H new ATOM 178 N LYS A 16 -28.960 -2.766 -9.943 1.00 0.00 N ATOM 179 CA LYS A 16 -28.114 -3.492 -10.882 1.00 0.00 C ATOM 180 C LYS A 16 -27.174 -4.442 -10.146 1.00 0.00 C ATOM 181 O LYS A 16 -26.485 -4.044 -9.206 1.00 0.00 O ATOM 182 CB LYS A 16 -27.303 -2.512 -11.733 1.00 0.00 C ATOM 183 CG LYS A 16 -28.116 -1.837 -12.824 1.00 0.00 C ATOM 184 CD LYS A 16 -28.385 -2.781 -13.984 1.00 0.00 C ATOM 185 CE LYS A 16 -27.176 -2.900 -14.898 1.00 0.00 C ATOM 186 NZ LYS A 16 -26.249 -3.978 -14.455 1.00 0.00 N ATOM 0 H LYS A 16 -28.524 -2.582 -9.039 1.00 0.00 H new ATOM 0 HA LYS A 16 -28.760 -4.081 -11.533 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -26.876 -1.747 -11.084 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -26.469 -3.045 -12.190 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -29.062 -1.488 -12.411 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -27.583 -0.958 -13.185 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -28.650 -3.766 -13.599 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -29.241 -2.422 -14.556 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -27.509 -3.103 -15.916 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -26.643 -1.949 -14.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -25.367 -3.554 -14.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -26.696 -4.530 -13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -26.035 -4.603 -15.258 1.00 0.00 H new ATOM 200 N LEU A 17 -27.150 -5.697 -10.580 1.00 0.00 N ATOM 201 CA LEU A 17 -26.292 -6.703 -9.963 1.00 0.00 C ATOM 202 C LEU A 17 -24.888 -6.154 -9.731 1.00 0.00 C ATOM 203 O LEU A 17 -24.318 -5.495 -10.601 1.00 0.00 O ATOM 204 CB LEU A 17 -26.225 -7.953 -10.842 1.00 0.00 C ATOM 205 CG LEU A 17 -25.314 -9.076 -10.344 1.00 0.00 C ATOM 206 CD1 LEU A 17 -26.015 -9.897 -9.273 1.00 0.00 C ATOM 207 CD2 LEU A 17 -24.880 -9.964 -11.501 1.00 0.00 C ATOM 0 H LEU A 17 -27.714 -6.043 -11.356 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.722 -6.968 -8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -27.234 -8.352 -10.950 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -25.892 -7.656 -11.836 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.424 -8.627 -9.904 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -25.351 -10.691 -8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -26.274 -9.253 -8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -26.923 -10.336 -9.687 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.232 -10.757 -11.128 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -25.759 -10.404 -11.971 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -24.337 -9.367 -12.234 1.00 0.00 H new ATOM 219 N GLN A 18 -24.337 -6.431 -8.554 1.00 0.00 N ATOM 220 CA GLN A 18 -22.998 -5.966 -8.209 1.00 0.00 C ATOM 221 C GLN A 18 -22.073 -7.141 -7.911 1.00 0.00 C ATOM 222 O GLN A 18 -21.975 -7.591 -6.770 1.00 0.00 O ATOM 223 CB GLN A 18 -23.057 -5.028 -7.002 1.00 0.00 C ATOM 224 CG GLN A 18 -23.877 -3.772 -7.246 1.00 0.00 C ATOM 225 CD GLN A 18 -24.149 -2.995 -5.973 1.00 0.00 C ATOM 226 OE1 GLN A 18 -23.574 -3.282 -4.923 1.00 0.00 O ATOM 227 NE2 GLN A 18 -25.029 -2.005 -6.060 1.00 0.00 N ATOM 0 H GLN A 18 -24.796 -6.975 -7.823 1.00 0.00 H new ATOM 0 HA GLN A 18 -22.598 -5.421 -9.064 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -23.478 -5.567 -6.154 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -22.042 -4.741 -6.726 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -23.350 -3.131 -7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -24.825 -4.046 -7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -25.482 -1.802 -6.951 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -25.252 -1.447 -5.236 1.00 0.00 H new ATOM 236 N GLU A 19 -21.398 -7.633 -8.945 1.00 0.00 N ATOM 237 CA GLU A 19 -20.481 -8.757 -8.792 1.00 0.00 C ATOM 238 C GLU A 19 -19.110 -8.424 -9.373 1.00 0.00 C ATOM 239 O GLU A 19 -18.491 -9.252 -10.041 1.00 0.00 O ATOM 240 CB GLU A 19 -21.049 -10.003 -9.476 1.00 0.00 C ATOM 241 CG GLU A 19 -20.298 -11.279 -9.136 1.00 0.00 C ATOM 242 CD GLU A 19 -21.087 -12.528 -9.477 1.00 0.00 C ATOM 243 OE1 GLU A 19 -21.030 -12.966 -10.645 1.00 0.00 O ATOM 244 OE2 GLU A 19 -21.761 -13.068 -8.575 1.00 0.00 O ATOM 0 H GLU A 19 -21.468 -7.272 -9.896 1.00 0.00 H new ATOM 0 HA GLU A 19 -20.365 -8.957 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -22.094 -10.119 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -21.028 -9.856 -10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -19.351 -11.293 -9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -20.059 -11.283 -8.072 1.00 0.00 H new ATOM 251 N GLU A 20 -18.643 -7.207 -9.113 1.00 0.00 N ATOM 252 CA GLU A 20 -17.347 -6.764 -9.611 1.00 0.00 C ATOM 253 C GLU A 20 -16.406 -6.429 -8.457 1.00 0.00 C ATOM 254 O GLU A 20 -16.809 -5.807 -7.474 1.00 0.00 O ATOM 255 CB GLU A 20 -17.514 -5.544 -10.519 1.00 0.00 C ATOM 256 CG GLU A 20 -18.452 -5.781 -11.690 1.00 0.00 C ATOM 257 CD GLU A 20 -18.121 -4.911 -12.888 1.00 0.00 C ATOM 258 OE1 GLU A 20 -16.952 -4.926 -13.326 1.00 0.00 O ATOM 259 OE2 GLU A 20 -19.031 -4.216 -13.386 1.00 0.00 O ATOM 0 H GLU A 20 -19.143 -6.511 -8.560 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.910 -7.579 -10.188 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.889 -4.709 -9.927 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -16.537 -5.249 -10.901 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.404 -6.830 -11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.477 -5.585 -11.375 1.00 0.00 H new ATOM 266 N VAL A 21 -15.150 -6.845 -8.585 1.00 0.00 N ATOM 267 CA VAL A 21 -14.151 -6.589 -7.554 1.00 0.00 C ATOM 268 C VAL A 21 -14.130 -5.115 -7.164 1.00 0.00 C ATOM 269 O VAL A 21 -14.091 -4.235 -8.025 1.00 0.00 O ATOM 270 CB VAL A 21 -12.744 -7.006 -8.020 1.00 0.00 C ATOM 271 CG1 VAL A 21 -12.305 -6.167 -9.211 1.00 0.00 C ATOM 272 CG2 VAL A 21 -11.747 -6.886 -6.877 1.00 0.00 C ATOM 0 H VAL A 21 -14.800 -7.361 -9.392 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.430 -7.187 -6.687 1.00 0.00 H new ATOM 0 HB VAL A 21 -12.779 -8.049 -8.334 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.308 -6.476 -9.526 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.006 -6.308 -10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.286 -5.115 -8.927 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.758 -7.185 -7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.713 -5.853 -6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -12.055 -7.534 -6.056 1.00 0.00 H new ATOM 282 N ILE A 22 -14.154 -4.853 -5.862 1.00 0.00 N ATOM 283 CA ILE A 22 -14.135 -3.485 -5.358 1.00 0.00 C ATOM 284 C ILE A 22 -12.823 -3.180 -4.644 1.00 0.00 C ATOM 285 O ILE A 22 -12.149 -4.084 -4.148 1.00 0.00 O ATOM 286 CB ILE A 22 -15.305 -3.226 -4.391 1.00 0.00 C ATOM 287 CG1 ILE A 22 -16.635 -3.584 -5.057 1.00 0.00 C ATOM 288 CG2 ILE A 22 -15.307 -1.773 -3.940 1.00 0.00 C ATOM 289 CD1 ILE A 22 -17.795 -3.659 -4.089 1.00 0.00 C ATOM 0 H ILE A 22 -14.187 -5.570 -5.137 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.236 -2.829 -6.222 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.178 -3.859 -3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -16.859 -2.842 -5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.532 -4.544 -5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.140 -1.605 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.369 -1.549 -3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.413 -1.123 -4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.705 -3.917 -4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -17.592 -4.421 -3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -17.925 -2.693 -3.601 1.00 0.00 H new ATOM 301 N CYS A 23 -12.466 -1.901 -4.594 1.00 0.00 N ATOM 302 CA CYS A 23 -11.235 -1.475 -3.939 1.00 0.00 C ATOM 303 C CYS A 23 -11.389 -1.503 -2.421 1.00 0.00 C ATOM 304 O CYS A 23 -12.227 -0.809 -1.844 1.00 0.00 O ATOM 305 CB CYS A 23 -10.850 -0.068 -4.398 1.00 0.00 C ATOM 306 SG CYS A 23 -9.195 0.465 -3.853 1.00 0.00 S ATOM 0 H CYS A 23 -13.012 -1.141 -5.000 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.444 -2.170 -4.219 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.893 -0.028 -5.486 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.590 0.640 -4.024 1.00 0.00 H new ATOM 311 N PRO A 24 -10.561 -2.323 -1.757 1.00 0.00 N ATOM 312 CA PRO A 24 -10.584 -2.460 -0.298 1.00 0.00 C ATOM 313 C PRO A 24 -10.073 -1.210 0.411 1.00 0.00 C ATOM 314 O PRO A 24 -9.962 -1.182 1.637 1.00 0.00 O ATOM 315 CB PRO A 24 -9.648 -3.643 -0.038 1.00 0.00 C ATOM 316 CG PRO A 24 -8.727 -3.662 -1.209 1.00 0.00 C ATOM 317 CD PRO A 24 -9.537 -3.178 -2.380 1.00 0.00 C ATOM 0 HA PRO A 24 -11.595 -2.607 0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.099 -3.516 0.895 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.204 -4.577 0.044 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.865 -3.018 -1.038 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.344 -4.667 -1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.925 -2.620 -3.089 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.985 -4.007 -2.929 1.00 0.00 H new ATOM 325 N ILE A 25 -9.762 -0.180 -0.369 1.00 0.00 N ATOM 326 CA ILE A 25 -9.264 1.073 0.185 1.00 0.00 C ATOM 327 C ILE A 25 -10.360 2.132 0.223 1.00 0.00 C ATOM 328 O ILE A 25 -10.683 2.671 1.282 1.00 0.00 O ATOM 329 CB ILE A 25 -8.072 1.613 -0.626 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.909 0.619 -0.588 1.00 0.00 C ATOM 331 CG2 ILE A 25 -7.636 2.968 -0.090 1.00 0.00 C ATOM 332 CD1 ILE A 25 -5.788 0.964 -1.543 1.00 0.00 C ATOM 0 H ILE A 25 -9.846 -0.188 -1.385 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.934 0.859 1.202 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.384 1.738 -1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.511 0.576 0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.284 -0.376 -0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.792 3.336 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.464 3.673 -0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.338 2.868 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.998 0.217 -1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.171 0.978 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.386 1.946 -1.292 1.00 0.00 H new ATOM 344 N CYS A 26 -10.932 2.425 -0.941 1.00 0.00 N ATOM 345 CA CYS A 26 -11.994 3.419 -1.043 1.00 0.00 C ATOM 346 C CYS A 26 -13.363 2.748 -1.109 1.00 0.00 C ATOM 347 O CYS A 26 -14.383 3.359 -0.789 1.00 0.00 O ATOM 348 CB CYS A 26 -11.784 4.296 -2.279 1.00 0.00 C ATOM 349 SG CYS A 26 -11.560 3.360 -3.825 1.00 0.00 S ATOM 0 H CYS A 26 -10.677 1.988 -1.827 1.00 0.00 H new ATOM 0 HA CYS A 26 -11.958 4.045 -0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.641 4.960 -2.390 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.910 4.927 -2.119 1.00 0.00 H new ATOM 354 N LEU A 27 -13.377 1.486 -1.526 1.00 0.00 N ATOM 355 CA LEU A 27 -14.620 0.730 -1.634 1.00 0.00 C ATOM 356 C LEU A 27 -15.459 1.227 -2.807 1.00 0.00 C ATOM 357 O LEU A 27 -16.669 1.417 -2.681 1.00 0.00 O ATOM 358 CB LEU A 27 -15.421 0.840 -0.336 1.00 0.00 C ATOM 359 CG LEU A 27 -14.621 0.710 0.960 1.00 0.00 C ATOM 360 CD1 LEU A 27 -15.470 1.114 2.155 1.00 0.00 C ATOM 361 CD2 LEU A 27 -14.103 -0.711 1.127 1.00 0.00 C ATOM 0 H LEU A 27 -12.542 0.965 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.367 -0.316 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.932 1.803 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.192 0.070 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.765 1.383 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.883 1.015 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.790 2.149 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.346 0.468 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.536 -0.785 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.944 -1.403 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.457 -0.964 0.286 1.00 0.00 H new ATOM 373 N ASP A 28 -14.809 1.434 -3.947 1.00 0.00 N ATOM 374 CA ASP A 28 -15.496 1.906 -5.144 1.00 0.00 C ATOM 375 C ASP A 28 -15.184 1.010 -6.338 1.00 0.00 C ATOM 376 O ASP A 28 -14.041 0.594 -6.532 1.00 0.00 O ATOM 377 CB ASP A 28 -15.093 3.349 -5.454 1.00 0.00 C ATOM 378 CG ASP A 28 -15.301 4.274 -4.271 1.00 0.00 C ATOM 379 OD1 ASP A 28 -16.416 4.277 -3.709 1.00 0.00 O ATOM 380 OD2 ASP A 28 -14.349 4.997 -3.909 1.00 0.00 O ATOM 0 H ASP A 28 -13.808 1.282 -4.068 1.00 0.00 H new ATOM 0 HA ASP A 28 -16.569 1.869 -4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.045 3.375 -5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -15.674 3.712 -6.302 1.00 0.00 H new ATOM 385 N ILE A 29 -16.206 0.716 -7.134 1.00 0.00 N ATOM 386 CA ILE A 29 -16.041 -0.130 -8.309 1.00 0.00 C ATOM 387 C ILE A 29 -14.672 0.079 -8.949 1.00 0.00 C ATOM 388 O ILE A 29 -14.427 1.096 -9.598 1.00 0.00 O ATOM 389 CB ILE A 29 -17.133 0.144 -9.360 1.00 0.00 C ATOM 390 CG1 ILE A 29 -18.516 -0.160 -8.780 1.00 0.00 C ATOM 391 CG2 ILE A 29 -16.883 -0.683 -10.612 1.00 0.00 C ATOM 392 CD1 ILE A 29 -19.653 0.399 -9.606 1.00 0.00 C ATOM 0 H ILE A 29 -17.158 1.052 -6.986 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.128 -1.162 -7.968 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.098 1.199 -9.633 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.636 -1.240 -8.695 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.576 0.248 -7.771 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -17.663 -0.478 -11.345 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.912 -0.422 -11.033 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.894 -1.743 -10.356 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.603 0.146 -9.136 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.558 1.483 -9.670 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -19.619 -0.028 -10.608 1.00 0.00 H new ATOM 404 N LEU A 30 -13.784 -0.892 -8.762 1.00 0.00 N ATOM 405 CA LEU A 30 -12.439 -0.816 -9.323 1.00 0.00 C ATOM 406 C LEU A 30 -12.488 -0.715 -10.844 1.00 0.00 C ATOM 407 O LEU A 30 -12.553 -1.728 -11.540 1.00 0.00 O ATOM 408 CB LEU A 30 -11.622 -2.040 -8.907 1.00 0.00 C ATOM 409 CG LEU A 30 -10.965 -1.973 -7.528 1.00 0.00 C ATOM 410 CD1 LEU A 30 -10.839 -3.364 -6.928 1.00 0.00 C ATOM 411 CD2 LEU A 30 -9.602 -1.303 -7.619 1.00 0.00 C ATOM 0 H LEU A 30 -13.971 -1.740 -8.227 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.960 0.082 -8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.274 -2.913 -8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.842 -2.201 -9.651 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.599 -1.374 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.369 -3.296 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.830 -3.807 -6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.228 -3.988 -7.580 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.149 -1.264 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.960 -1.874 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.719 -0.290 -8.004 1.00 0.00 H new ATOM 423 N GLN A 31 -12.455 0.512 -11.352 1.00 0.00 N ATOM 424 CA GLN A 31 -12.494 0.744 -12.791 1.00 0.00 C ATOM 425 C GLN A 31 -11.282 0.120 -13.476 1.00 0.00 C ATOM 426 O GLN A 31 -11.394 -0.450 -14.562 1.00 0.00 O ATOM 427 CB GLN A 31 -12.545 2.244 -13.086 1.00 0.00 C ATOM 428 CG GLN A 31 -13.954 2.816 -13.089 1.00 0.00 C ATOM 429 CD GLN A 31 -14.059 4.105 -13.880 1.00 0.00 C ATOM 430 OE1 GLN A 31 -13.078 4.576 -14.454 1.00 0.00 O ATOM 431 NE2 GLN A 31 -15.255 4.682 -13.914 1.00 0.00 N ATOM 0 H GLN A 31 -12.401 1.361 -10.789 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.394 0.273 -13.185 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.949 2.773 -12.342 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.084 2.431 -14.056 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.640 2.080 -13.508 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.270 2.998 -12.062 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.041 4.256 -13.423 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.387 5.551 -14.431 1.00 0.00 H new ATOM 440 N LYS A 32 -10.124 0.233 -12.835 1.00 0.00 N ATOM 441 CA LYS A 32 -8.890 -0.321 -13.381 1.00 0.00 C ATOM 442 C LYS A 32 -8.107 -1.068 -12.307 1.00 0.00 C ATOM 443 O LYS A 32 -7.246 -0.507 -11.629 1.00 0.00 O ATOM 444 CB LYS A 32 -8.026 0.794 -13.975 1.00 0.00 C ATOM 445 CG LYS A 32 -8.415 1.177 -15.392 1.00 0.00 C ATOM 446 CD LYS A 32 -7.994 2.599 -15.722 1.00 0.00 C ATOM 447 CE LYS A 32 -6.487 2.707 -15.898 1.00 0.00 C ATOM 448 NZ LYS A 32 -6.006 1.911 -17.061 1.00 0.00 N ATOM 0 H LYS A 32 -10.014 0.703 -11.937 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.155 -1.026 -14.169 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.096 1.675 -13.337 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.983 0.477 -13.967 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.951 0.487 -16.097 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.494 1.079 -15.513 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.492 2.925 -16.635 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.317 3.270 -14.926 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.211 3.753 -16.035 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.990 2.362 -14.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.065 2.248 -17.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.948 0.907 -16.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.669 2.020 -17.855 1.00 0.00 H new ATOM 462 N PRO A 33 -8.409 -2.365 -12.148 1.00 0.00 N ATOM 463 CA PRO A 33 -7.743 -3.218 -11.158 1.00 0.00 C ATOM 464 C PRO A 33 -6.290 -3.501 -11.522 1.00 0.00 C ATOM 465 O PRO A 33 -6.007 -4.202 -12.493 1.00 0.00 O ATOM 466 CB PRO A 33 -8.564 -4.510 -11.193 1.00 0.00 C ATOM 467 CG PRO A 33 -9.172 -4.536 -12.553 1.00 0.00 C ATOM 468 CD PRO A 33 -9.425 -3.100 -12.921 1.00 0.00 C ATOM 0 HA PRO A 33 -7.704 -2.748 -10.175 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.935 -5.384 -11.024 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.329 -4.514 -10.417 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.503 -5.011 -13.271 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.099 -5.109 -12.555 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.312 -2.934 -13.992 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.435 -2.789 -12.655 1.00 0.00 H new ATOM 476 N VAL A 34 -5.370 -2.951 -10.735 1.00 0.00 N ATOM 477 CA VAL A 34 -3.945 -3.145 -10.974 1.00 0.00 C ATOM 478 C VAL A 34 -3.385 -4.251 -10.086 1.00 0.00 C ATOM 479 O VAL A 34 -3.337 -4.117 -8.863 1.00 0.00 O ATOM 480 CB VAL A 34 -3.152 -1.849 -10.722 1.00 0.00 C ATOM 481 CG1 VAL A 34 -1.667 -2.076 -10.963 1.00 0.00 C ATOM 482 CG2 VAL A 34 -3.677 -0.724 -11.601 1.00 0.00 C ATOM 0 H VAL A 34 -5.587 -2.368 -9.927 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.835 -3.432 -12.020 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.286 -1.558 -9.680 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.123 -1.149 -10.780 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.303 -2.850 -10.287 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.510 -2.391 -11.994 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.105 0.184 -11.410 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.574 -1.003 -12.650 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.728 -0.545 -11.374 1.00 0.00 H new ATOM 492 N THR A 35 -2.961 -5.346 -10.710 1.00 0.00 N ATOM 493 CA THR A 35 -2.405 -6.476 -9.977 1.00 0.00 C ATOM 494 C THR A 35 -0.908 -6.301 -9.749 1.00 0.00 C ATOM 495 O THR A 35 -0.125 -6.278 -10.699 1.00 0.00 O ATOM 496 CB THR A 35 -2.647 -7.803 -10.723 1.00 0.00 C ATOM 497 OG1 THR A 35 -4.038 -7.945 -11.030 1.00 0.00 O ATOM 498 CG2 THR A 35 -2.184 -8.986 -9.886 1.00 0.00 C ATOM 0 H THR A 35 -2.992 -5.474 -11.721 1.00 0.00 H new ATOM 0 HA THR A 35 -2.915 -6.510 -9.014 1.00 0.00 H new ATOM 0 HB THR A 35 -2.071 -7.785 -11.648 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.571 -7.467 -10.361 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.365 -9.911 -10.433 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.118 -8.890 -9.678 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.737 -9.006 -8.947 1.00 0.00 H new ATOM 506 N ILE A 36 -0.518 -6.177 -8.485 1.00 0.00 N ATOM 507 CA ILE A 36 0.886 -6.006 -8.133 1.00 0.00 C ATOM 508 C ILE A 36 1.544 -7.347 -7.826 1.00 0.00 C ATOM 509 O ILE A 36 0.883 -8.386 -7.813 1.00 0.00 O ATOM 510 CB ILE A 36 1.052 -5.075 -6.917 1.00 0.00 C ATOM 511 CG1 ILE A 36 0.299 -5.638 -5.710 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.558 -3.675 -7.250 1.00 0.00 C ATOM 513 CD1 ILE A 36 0.335 -4.732 -4.499 1.00 0.00 C ATOM 0 H ILE A 36 -1.154 -6.192 -7.688 1.00 0.00 H new ATOM 0 HA ILE A 36 1.375 -5.554 -8.996 1.00 0.00 H new ATOM 0 HB ILE A 36 2.111 -5.015 -6.666 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.739 -5.815 -5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.727 -6.604 -5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.682 -3.029 -6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.134 -3.275 -8.084 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.496 -3.717 -7.524 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.219 -5.195 -3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.369 -4.574 -4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.120 -3.773 -4.748 1.00 0.00 H new ATOM 525 N ASP A 37 2.849 -7.316 -7.577 1.00 0.00 N ATOM 526 CA ASP A 37 3.596 -8.529 -7.267 1.00 0.00 C ATOM 527 C ASP A 37 2.863 -9.368 -6.225 1.00 0.00 C ATOM 528 O ASP A 37 2.774 -10.591 -6.347 1.00 0.00 O ATOM 529 CB ASP A 37 4.996 -8.176 -6.761 1.00 0.00 C ATOM 530 CG ASP A 37 5.994 -9.293 -6.991 1.00 0.00 C ATOM 531 OD1 ASP A 37 6.093 -10.189 -6.125 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.676 -9.274 -8.037 1.00 0.00 O ATOM 0 H ASP A 37 3.411 -6.465 -7.584 1.00 0.00 H new ATOM 0 HA ASP A 37 3.685 -9.115 -8.182 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.344 -7.273 -7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.948 -7.950 -5.696 1.00 0.00 H new ATOM 537 N CYS A 38 2.338 -8.705 -5.200 1.00 0.00 N ATOM 538 CA CYS A 38 1.614 -9.388 -4.136 1.00 0.00 C ATOM 539 C CYS A 38 0.359 -10.066 -4.681 1.00 0.00 C ATOM 540 O CYS A 38 -0.097 -11.075 -4.144 1.00 0.00 O ATOM 541 CB CYS A 38 1.234 -8.399 -3.032 1.00 0.00 C ATOM 542 SG CYS A 38 -0.372 -7.578 -3.290 1.00 0.00 S ATOM 0 H CYS A 38 2.401 -7.694 -5.084 1.00 0.00 H new ATOM 0 HA CYS A 38 2.268 -10.154 -3.719 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.211 -8.926 -2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.011 -7.638 -2.957 1.00 0.00 H new ATOM 547 N GLY A 39 -0.193 -9.504 -5.751 1.00 0.00 N ATOM 548 CA GLY A 39 -1.389 -10.066 -6.351 1.00 0.00 C ATOM 549 C GLY A 39 -2.607 -9.188 -6.149 1.00 0.00 C ATOM 550 O GLY A 39 -3.333 -8.892 -7.100 1.00 0.00 O ATOM 0 H GLY A 39 0.167 -8.669 -6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.222 -10.211 -7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.579 -11.050 -5.922 1.00 0.00 H new ATOM 554 N HIS A 40 -2.835 -8.769 -4.908 1.00 0.00 N ATOM 555 CA HIS A 40 -3.975 -7.919 -4.585 1.00 0.00 C ATOM 556 C HIS A 40 -4.209 -6.884 -5.681 1.00 0.00 C ATOM 557 O HIS A 40 -3.265 -6.403 -6.305 1.00 0.00 O ATOM 558 CB HIS A 40 -3.752 -7.219 -3.244 1.00 0.00 C ATOM 559 CG HIS A 40 -3.662 -8.162 -2.084 1.00 0.00 C ATOM 560 ND1 HIS A 40 -2.990 -7.859 -0.919 1.00 0.00 N ATOM 561 CD2 HIS A 40 -4.165 -9.407 -1.913 1.00 0.00 C ATOM 562 CE1 HIS A 40 -3.082 -8.877 -0.082 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.791 -9.829 -0.661 1.00 0.00 N ATOM 0 H HIS A 40 -2.245 -9.004 -4.110 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.860 -8.551 -4.513 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.834 -6.633 -3.297 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.568 -6.518 -3.069 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.751 -9.965 -2.628 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.651 -8.923 0.907 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -4.023 -10.731 -0.246 1.00 0.00 H new ATOM 571 N ASN A 41 -5.474 -6.546 -5.908 1.00 0.00 N ATOM 572 CA ASN A 41 -5.832 -5.568 -6.930 1.00 0.00 C ATOM 573 C ASN A 41 -6.357 -4.285 -6.294 1.00 0.00 C ATOM 574 O ASN A 41 -7.221 -4.322 -5.417 1.00 0.00 O ATOM 575 CB ASN A 41 -6.885 -6.150 -7.876 1.00 0.00 C ATOM 576 CG ASN A 41 -6.340 -7.288 -8.716 1.00 0.00 C ATOM 577 OD1 ASN A 41 -6.072 -7.123 -9.906 1.00 0.00 O ATOM 578 ND2 ASN A 41 -6.175 -8.452 -8.099 1.00 0.00 N ATOM 0 H ASN A 41 -6.268 -6.934 -5.399 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.934 -5.329 -7.500 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.735 -6.506 -7.294 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.255 -5.362 -8.532 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.813 -9.255 -8.613 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.410 -8.543 -7.111 1.00 0.00 H new ATOM 585 N PHE A 42 -5.830 -3.150 -6.742 1.00 0.00 N ATOM 586 CA PHE A 42 -6.246 -1.854 -6.217 1.00 0.00 C ATOM 587 C PHE A 42 -6.725 -0.940 -7.341 1.00 0.00 C ATOM 588 O PHE A 42 -6.649 -1.293 -8.518 1.00 0.00 O ATOM 589 CB PHE A 42 -5.090 -1.192 -5.464 1.00 0.00 C ATOM 590 CG PHE A 42 -4.639 -1.965 -4.258 1.00 0.00 C ATOM 591 CD1 PHE A 42 -5.424 -2.017 -3.118 1.00 0.00 C ATOM 592 CD2 PHE A 42 -3.429 -2.640 -4.265 1.00 0.00 C ATOM 593 CE1 PHE A 42 -5.012 -2.728 -2.006 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.012 -3.353 -3.157 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.804 -3.396 -2.026 1.00 0.00 C ATOM 0 H PHE A 42 -5.114 -3.101 -7.467 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.075 -2.017 -5.528 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.247 -1.070 -6.144 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.395 -0.193 -5.152 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.370 -1.496 -3.097 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.805 -2.609 -5.146 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.634 -2.761 -1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.067 -3.876 -3.175 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.479 -3.951 -1.159 1.00 0.00 H new ATOM 605 N CYS A 43 -7.221 0.235 -6.969 1.00 0.00 N ATOM 606 CA CYS A 43 -7.715 1.200 -7.943 1.00 0.00 C ATOM 607 C CYS A 43 -6.710 2.331 -8.147 1.00 0.00 C ATOM 608 O CYS A 43 -6.111 2.824 -7.190 1.00 0.00 O ATOM 609 CB CYS A 43 -9.058 1.774 -7.488 1.00 0.00 C ATOM 610 SG CYS A 43 -8.919 3.277 -6.469 1.00 0.00 S ATOM 0 H CYS A 43 -7.291 0.542 -5.999 1.00 0.00 H new ATOM 0 HA CYS A 43 -7.851 0.682 -8.892 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.661 1.999 -8.368 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.593 1.012 -6.921 1.00 0.00 H new ATOM 615 N LEU A 44 -6.530 2.737 -9.399 1.00 0.00 N ATOM 616 CA LEU A 44 -5.598 3.809 -9.729 1.00 0.00 C ATOM 617 C LEU A 44 -5.762 4.986 -8.773 1.00 0.00 C ATOM 618 O LEU A 44 -4.797 5.435 -8.153 1.00 0.00 O ATOM 619 CB LEU A 44 -5.815 4.274 -11.170 1.00 0.00 C ATOM 620 CG LEU A 44 -4.851 5.345 -11.682 1.00 0.00 C ATOM 621 CD1 LEU A 44 -3.446 4.779 -11.815 1.00 0.00 C ATOM 622 CD2 LEU A 44 -5.332 5.903 -13.014 1.00 0.00 C ATOM 0 H LEU A 44 -7.017 2.340 -10.202 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.585 3.421 -9.628 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.743 3.406 -11.825 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.832 4.657 -11.258 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.825 6.159 -10.958 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.774 5.555 -12.181 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.101 4.429 -10.842 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.454 3.946 -12.518 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.634 6.664 -13.363 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.388 5.098 -13.747 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.319 6.347 -12.887 1.00 0.00 H new ATOM 634 N LYS A 45 -6.989 5.481 -8.656 1.00 0.00 N ATOM 635 CA LYS A 45 -7.282 6.604 -7.773 1.00 0.00 C ATOM 636 C LYS A 45 -6.619 6.413 -6.413 1.00 0.00 C ATOM 637 O LYS A 45 -6.291 7.383 -5.729 1.00 0.00 O ATOM 638 CB LYS A 45 -8.794 6.762 -7.598 1.00 0.00 C ATOM 639 CG LYS A 45 -9.541 6.949 -8.907 1.00 0.00 C ATOM 640 CD LYS A 45 -9.321 8.339 -9.481 1.00 0.00 C ATOM 641 CE LYS A 45 -10.233 8.602 -10.669 1.00 0.00 C ATOM 642 NZ LYS A 45 -9.842 9.836 -11.405 1.00 0.00 N ATOM 0 H LYS A 45 -7.798 5.122 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.880 7.508 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.186 5.882 -7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.989 7.618 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.209 6.201 -9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.606 6.785 -8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.504 9.086 -8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.281 8.446 -9.789 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.201 7.749 -11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.262 8.696 -10.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.487 9.981 -12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.896 10.654 -10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.869 9.736 -11.757 1.00 0.00 H new ATOM 656 N CYS A 46 -6.422 5.157 -6.026 1.00 0.00 N ATOM 657 CA CYS A 46 -5.798 4.838 -4.748 1.00 0.00 C ATOM 658 C CYS A 46 -4.293 4.647 -4.911 1.00 0.00 C ATOM 659 O CYS A 46 -3.499 5.468 -4.451 1.00 0.00 O ATOM 660 CB CYS A 46 -6.422 3.575 -4.153 1.00 0.00 C ATOM 661 SG CYS A 46 -7.830 3.894 -3.042 1.00 0.00 S ATOM 0 H CYS A 46 -6.686 4.343 -6.580 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.969 5.674 -4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.753 2.929 -4.966 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.656 3.028 -3.603 1.00 0.00 H new ATOM 666 N ILE A 47 -3.908 3.558 -5.569 1.00 0.00 N ATOM 667 CA ILE A 47 -2.499 3.260 -5.794 1.00 0.00 C ATOM 668 C ILE A 47 -1.704 4.533 -6.061 1.00 0.00 C ATOM 669 O ILE A 47 -0.534 4.637 -5.691 1.00 0.00 O ATOM 670 CB ILE A 47 -2.311 2.292 -6.978 1.00 0.00 C ATOM 671 CG1 ILE A 47 -2.933 0.932 -6.657 1.00 0.00 C ATOM 672 CG2 ILE A 47 -0.833 2.140 -7.307 1.00 0.00 C ATOM 673 CD1 ILE A 47 -2.927 -0.027 -7.827 1.00 0.00 C ATOM 0 H ILE A 47 -4.552 2.868 -5.955 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.127 2.786 -4.885 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.818 2.705 -7.850 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.391 0.481 -5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.960 1.081 -6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.716 1.453 -8.145 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.418 3.112 -7.573 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.306 1.746 -6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.383 -0.970 -7.527 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.493 0.403 -8.653 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.900 -0.206 -8.146 1.00 0.00 H new ATOM 685 N THR A 48 -2.346 5.502 -6.706 1.00 0.00 N ATOM 686 CA THR A 48 -1.700 6.769 -7.022 1.00 0.00 C ATOM 687 C THR A 48 -1.717 7.710 -5.823 1.00 0.00 C ATOM 688 O THR A 48 -0.706 8.331 -5.496 1.00 0.00 O ATOM 689 CB THR A 48 -2.381 7.465 -8.216 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.384 6.595 -9.353 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.668 8.763 -8.564 1.00 0.00 C ATOM 0 H THR A 48 -3.314 5.433 -7.020 1.00 0.00 H new ATOM 0 HA THR A 48 -0.667 6.539 -7.285 1.00 0.00 H new ATOM 0 HB THR A 48 -3.408 7.698 -7.936 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.137 5.971 -9.286 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.167 9.237 -9.410 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.694 9.434 -7.705 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.632 8.550 -8.827 1.00 0.00 H new ATOM 699 N GLN A 49 -2.871 7.808 -5.170 1.00 0.00 N ATOM 700 CA GLN A 49 -3.018 8.674 -4.006 1.00 0.00 C ATOM 701 C GLN A 49 -2.031 8.285 -2.911 1.00 0.00 C ATOM 702 O GLN A 49 -1.294 9.128 -2.398 1.00 0.00 O ATOM 703 CB GLN A 49 -4.449 8.603 -3.470 1.00 0.00 C ATOM 704 CG GLN A 49 -5.434 9.460 -4.248 1.00 0.00 C ATOM 705 CD GLN A 49 -5.335 10.931 -3.895 1.00 0.00 C ATOM 706 OE1 GLN A 49 -4.497 11.655 -4.434 1.00 0.00 O ATOM 707 NE2 GLN A 49 -6.192 11.381 -2.986 1.00 0.00 N ATOM 0 H GLN A 49 -3.717 7.299 -5.427 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.804 9.697 -4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.785 7.566 -3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.453 8.917 -2.426 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.255 9.334 -5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.448 9.111 -4.051 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.870 10.745 -2.565 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.173 12.362 -2.709 1.00 0.00 H new ATOM 716 N ILE A 50 -2.024 7.005 -2.556 1.00 0.00 N ATOM 717 CA ILE A 50 -1.127 6.505 -1.521 1.00 0.00 C ATOM 718 C ILE A 50 0.267 7.107 -1.664 1.00 0.00 C ATOM 719 O ILE A 50 0.870 7.542 -0.684 1.00 0.00 O ATOM 720 CB ILE A 50 -1.017 4.969 -1.564 1.00 0.00 C ATOM 721 CG1 ILE A 50 -2.395 4.333 -1.375 1.00 0.00 C ATOM 722 CG2 ILE A 50 -0.049 4.477 -0.499 1.00 0.00 C ATOM 723 CD1 ILE A 50 -2.502 2.939 -1.954 1.00 0.00 C ATOM 0 H ILE A 50 -2.629 6.295 -2.969 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.553 6.804 -0.563 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.632 4.674 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.625 4.294 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.147 4.970 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.018 3.390 -0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.936 4.908 -0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.406 4.780 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.506 2.550 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.304 2.974 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.774 2.288 -1.471 1.00 0.00 H new ATOM 735 N GLY A 51 0.773 7.130 -2.893 1.00 0.00 N ATOM 736 CA GLY A 51 2.091 7.683 -3.143 1.00 0.00 C ATOM 737 C GLY A 51 2.341 8.961 -2.367 1.00 0.00 C ATOM 738 O GLY A 51 1.582 9.923 -2.483 1.00 0.00 O ATOM 0 H GLY A 51 0.293 6.775 -3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.848 6.945 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.202 7.881 -4.209 1.00 0.00 H new ATOM 742 N GLU A 52 3.406 8.971 -1.572 1.00 0.00 N ATOM 743 CA GLU A 52 3.751 10.141 -0.773 1.00 0.00 C ATOM 744 C GLU A 52 4.573 11.134 -1.588 1.00 0.00 C ATOM 745 O GLU A 52 4.273 12.328 -1.621 1.00 0.00 O ATOM 746 CB GLU A 52 4.529 9.721 0.476 1.00 0.00 C ATOM 747 CG GLU A 52 3.787 8.724 1.350 1.00 0.00 C ATOM 748 CD GLU A 52 2.652 9.362 2.128 1.00 0.00 C ATOM 749 OE1 GLU A 52 1.536 9.456 1.577 1.00 0.00 O ATOM 750 OE2 GLU A 52 2.881 9.766 3.287 1.00 0.00 O ATOM 0 H GLU A 52 4.044 8.183 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 52 2.824 10.628 -0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.481 9.286 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.758 10.608 1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.390 7.924 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.488 8.266 2.047 1.00 0.00 H new ATOM 757 N THR A 53 5.614 10.633 -2.246 1.00 0.00 N ATOM 758 CA THR A 53 6.482 11.475 -3.060 1.00 0.00 C ATOM 759 C THR A 53 6.349 11.133 -4.540 1.00 0.00 C ATOM 760 O THR A 53 6.239 12.021 -5.385 1.00 0.00 O ATOM 761 CB THR A 53 7.957 11.331 -2.642 1.00 0.00 C ATOM 762 OG1 THR A 53 8.346 9.954 -2.685 1.00 0.00 O ATOM 763 CG2 THR A 53 8.179 11.883 -1.242 1.00 0.00 C ATOM 0 H THR A 53 5.876 9.647 -2.231 1.00 0.00 H new ATOM 0 HA THR A 53 6.165 12.505 -2.898 1.00 0.00 H new ATOM 0 HB THR A 53 8.567 11.902 -3.341 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.286 9.871 -2.420 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.228 11.770 -0.969 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.910 12.939 -1.220 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.558 11.336 -0.532 1.00 0.00 H new ATOM 771 N SER A 54 6.358 9.839 -4.847 1.00 0.00 N ATOM 772 CA SER A 54 6.242 9.380 -6.226 1.00 0.00 C ATOM 773 C SER A 54 5.431 8.090 -6.302 1.00 0.00 C ATOM 774 O SER A 54 5.306 7.363 -5.316 1.00 0.00 O ATOM 775 CB SER A 54 7.629 9.160 -6.831 1.00 0.00 C ATOM 776 OG SER A 54 8.307 10.391 -7.013 1.00 0.00 O ATOM 0 H SER A 54 6.444 9.091 -4.159 1.00 0.00 H new ATOM 0 HA SER A 54 5.723 10.150 -6.797 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.215 8.511 -6.179 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.534 8.648 -7.789 1.00 0.00 H new ATOM 0 HG SER A 54 9.192 10.223 -7.399 1.00 0.00 H new ATOM 782 N CYS A 55 4.882 7.813 -7.479 1.00 0.00 N ATOM 783 CA CYS A 55 4.082 6.611 -7.686 1.00 0.00 C ATOM 784 C CYS A 55 4.975 5.397 -7.922 1.00 0.00 C ATOM 785 O CYS A 55 4.694 4.566 -8.785 1.00 0.00 O ATOM 786 CB CYS A 55 3.135 6.801 -8.872 1.00 0.00 C ATOM 787 SG CYS A 55 3.972 6.979 -10.464 1.00 0.00 S ATOM 0 H CYS A 55 4.976 8.404 -8.305 1.00 0.00 H new ATOM 0 HA CYS A 55 3.494 6.437 -6.785 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.458 5.948 -8.923 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.522 7.685 -8.695 1.00 0.00 H new ATOM 0 HG CYS A 55 4.810 5.998 -10.626 1.00 0.00 H new ATOM 793 N GLY A 56 6.053 5.303 -7.150 1.00 0.00 N ATOM 794 CA GLY A 56 6.972 4.188 -7.292 1.00 0.00 C ATOM 795 C GLY A 56 7.059 3.345 -6.036 1.00 0.00 C ATOM 796 O GLY A 56 6.174 2.534 -5.761 1.00 0.00 O ATOM 0 H GLY A 56 6.307 5.978 -6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.652 3.562 -8.125 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.963 4.567 -7.541 1.00 0.00 H new ATOM 800 N PHE A 57 8.129 3.534 -5.271 1.00 0.00 N ATOM 801 CA PHE A 57 8.330 2.782 -4.038 1.00 0.00 C ATOM 802 C PHE A 57 7.113 2.898 -3.125 1.00 0.00 C ATOM 803 O PHE A 57 6.930 3.905 -2.440 1.00 0.00 O ATOM 804 CB PHE A 57 9.578 3.283 -3.308 1.00 0.00 C ATOM 805 CG PHE A 57 10.862 2.925 -4.000 1.00 0.00 C ATOM 806 CD1 PHE A 57 11.398 3.758 -4.969 1.00 0.00 C ATOM 807 CD2 PHE A 57 11.533 1.755 -3.683 1.00 0.00 C ATOM 808 CE1 PHE A 57 12.579 3.430 -5.608 1.00 0.00 C ATOM 809 CE2 PHE A 57 12.714 1.422 -4.319 1.00 0.00 C ATOM 810 CZ PHE A 57 13.238 2.261 -5.282 1.00 0.00 C ATOM 0 H PHE A 57 8.870 4.202 -5.483 1.00 0.00 H new ATOM 0 HA PHE A 57 8.467 1.733 -4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.519 4.367 -3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.590 2.869 -2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 57 10.887 4.674 -5.228 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.128 1.095 -2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.986 4.088 -6.362 1.00 0.00 H new ATOM 0 HE2 PHE A 57 13.226 0.506 -4.063 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.161 2.004 -5.779 1.00 0.00 H new ATOM 820 N PHE A 58 6.282 1.861 -3.123 1.00 0.00 N ATOM 821 CA PHE A 58 5.080 1.846 -2.296 1.00 0.00 C ATOM 822 C PHE A 58 4.665 0.415 -1.967 1.00 0.00 C ATOM 823 O PHE A 58 4.351 -0.374 -2.859 1.00 0.00 O ATOM 824 CB PHE A 58 3.937 2.570 -3.009 1.00 0.00 C ATOM 825 CG PHE A 58 3.063 1.658 -3.822 1.00 0.00 C ATOM 826 CD1 PHE A 58 2.060 0.918 -3.217 1.00 0.00 C ATOM 827 CD2 PHE A 58 3.245 1.540 -5.190 1.00 0.00 C ATOM 828 CE1 PHE A 58 1.255 0.077 -3.962 1.00 0.00 C ATOM 829 CE2 PHE A 58 2.444 0.701 -5.941 1.00 0.00 C ATOM 830 CZ PHE A 58 1.447 -0.031 -5.326 1.00 0.00 C ATOM 0 H PHE A 58 6.418 1.020 -3.684 1.00 0.00 H new ATOM 0 HA PHE A 58 5.303 2.364 -1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.324 3.082 -2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.355 3.337 -3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.905 0.999 -2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.023 2.111 -5.676 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.477 -0.495 -3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.597 0.618 -7.007 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.819 -0.687 -5.910 1.00 0.00 H new ATOM 840 N LYS A 59 4.665 0.087 -0.679 1.00 0.00 N ATOM 841 CA LYS A 59 4.288 -1.248 -0.229 1.00 0.00 C ATOM 842 C LYS A 59 2.774 -1.430 -0.277 1.00 0.00 C ATOM 843 O LYS A 59 2.023 -0.457 -0.347 1.00 0.00 O ATOM 844 CB LYS A 59 4.797 -1.492 1.193 1.00 0.00 C ATOM 845 CG LYS A 59 4.137 -0.606 2.236 1.00 0.00 C ATOM 846 CD LYS A 59 2.891 -1.257 2.813 1.00 0.00 C ATOM 847 CE LYS A 59 2.002 -0.238 3.508 1.00 0.00 C ATOM 848 NZ LYS A 59 2.476 0.062 4.888 1.00 0.00 N ATOM 0 H LYS A 59 4.922 0.728 0.072 1.00 0.00 H new ATOM 0 HA LYS A 59 4.745 -1.974 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.628 -2.536 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.874 -1.327 1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.845 -0.398 3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.874 0.352 1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.332 -1.746 2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.180 -2.033 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.979 0.682 2.924 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.980 -0.615 3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.669 0.046 5.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.172 -0.654 5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.919 1.003 4.906 1.00 0.00 H new ATOM 862 N CYS A 60 2.332 -2.683 -0.237 1.00 0.00 N ATOM 863 CA CYS A 60 0.908 -2.993 -0.275 1.00 0.00 C ATOM 864 C CYS A 60 0.264 -2.757 1.088 1.00 0.00 C ATOM 865 O CYS A 60 0.733 -3.242 2.117 1.00 0.00 O ATOM 866 CB CYS A 60 0.693 -4.445 -0.708 1.00 0.00 C ATOM 867 SG CYS A 60 -1.057 -4.944 -0.792 1.00 0.00 S ATOM 0 H CYS A 60 2.940 -3.500 -0.178 1.00 0.00 H new ATOM 0 HA CYS A 60 0.436 -2.330 -1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.149 -4.592 -1.687 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.214 -5.102 -0.011 1.00 0.00 H new ATOM 872 N PRO A 61 -0.838 -1.992 1.096 1.00 0.00 N ATOM 873 CA PRO A 61 -1.572 -1.674 2.325 1.00 0.00 C ATOM 874 C PRO A 61 -2.291 -2.889 2.902 1.00 0.00 C ATOM 875 O PRO A 61 -2.640 -2.913 4.083 1.00 0.00 O ATOM 876 CB PRO A 61 -2.584 -0.619 1.871 1.00 0.00 C ATOM 877 CG PRO A 61 -2.777 -0.880 0.417 1.00 0.00 C ATOM 878 CD PRO A 61 -1.454 -1.380 -0.093 1.00 0.00 C ATOM 0 HA PRO A 61 -0.908 -1.333 3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.523 -0.710 2.418 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.210 0.390 2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.562 -1.618 0.254 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.079 0.028 -0.106 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.581 -2.105 -0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.843 -0.568 -0.489 1.00 0.00 H new ATOM 886 N LEU A 62 -2.509 -3.895 2.063 1.00 0.00 N ATOM 887 CA LEU A 62 -3.186 -5.114 2.490 1.00 0.00 C ATOM 888 C LEU A 62 -2.202 -6.090 3.127 1.00 0.00 C ATOM 889 O LEU A 62 -2.430 -6.587 4.230 1.00 0.00 O ATOM 890 CB LEU A 62 -3.882 -5.778 1.300 1.00 0.00 C ATOM 891 CG LEU A 62 -5.282 -5.261 0.968 1.00 0.00 C ATOM 892 CD1 LEU A 62 -5.776 -5.860 -0.340 1.00 0.00 C ATOM 893 CD2 LEU A 62 -6.249 -5.577 2.099 1.00 0.00 C ATOM 0 H LEU A 62 -2.227 -3.891 1.083 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.933 -4.842 3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.252 -5.652 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.948 -6.848 1.494 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.230 -4.178 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.774 -5.481 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.097 -5.583 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.812 -6.946 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.240 -5.202 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.296 -6.656 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.904 -5.100 3.016 1.00 0.00 H new ATOM 905 N CYS A 63 -1.105 -6.358 2.426 1.00 0.00 N ATOM 906 CA CYS A 63 -0.084 -7.272 2.922 1.00 0.00 C ATOM 907 C CYS A 63 1.281 -6.591 2.966 1.00 0.00 C ATOM 908 O CYS A 63 1.783 -6.115 1.947 1.00 0.00 O ATOM 909 CB CYS A 63 -0.015 -8.521 2.041 1.00 0.00 C ATOM 910 SG CYS A 63 0.480 -8.189 0.320 1.00 0.00 S ATOM 0 H CYS A 63 -0.901 -5.954 1.512 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.357 -7.566 3.936 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.691 -9.225 2.482 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.991 -9.007 2.040 1.00 0.00 H new ATOM 915 N LYS A 64 1.878 -6.549 4.152 1.00 0.00 N ATOM 916 CA LYS A 64 3.185 -5.929 4.330 1.00 0.00 C ATOM 917 C LYS A 64 4.298 -6.864 3.870 1.00 0.00 C ATOM 918 O LYS A 64 5.038 -7.415 4.686 1.00 0.00 O ATOM 919 CB LYS A 64 3.397 -5.550 5.798 1.00 0.00 C ATOM 920 CG LYS A 64 2.358 -4.579 6.331 1.00 0.00 C ATOM 921 CD LYS A 64 2.794 -3.135 6.141 1.00 0.00 C ATOM 922 CE LYS A 64 3.665 -2.660 7.294 1.00 0.00 C ATOM 923 NZ LYS A 64 2.855 -2.302 8.491 1.00 0.00 N ATOM 0 H LYS A 64 1.477 -6.938 5.005 1.00 0.00 H new ATOM 0 HA LYS A 64 3.217 -5.027 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.381 -6.456 6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.387 -5.108 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.409 -4.744 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.188 -4.772 7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.344 -3.040 5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.915 -2.496 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.376 -3.443 7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.247 -1.794 6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.486 -1.983 9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.193 -1.538 8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.319 -3.135 8.809 1.00 0.00 H new ATOM 937 N THR A 65 4.413 -7.040 2.558 1.00 0.00 N ATOM 938 CA THR A 65 5.436 -7.908 1.989 1.00 0.00 C ATOM 939 C THR A 65 6.506 -7.098 1.266 1.00 0.00 C ATOM 940 O THR A 65 6.345 -5.897 1.046 1.00 0.00 O ATOM 941 CB THR A 65 4.827 -8.926 1.006 1.00 0.00 C ATOM 942 OG1 THR A 65 5.800 -9.919 0.664 1.00 0.00 O ATOM 943 CG2 THR A 65 4.338 -8.232 -0.257 1.00 0.00 C ATOM 0 H THR A 65 3.809 -6.592 1.868 1.00 0.00 H new ATOM 0 HA THR A 65 5.892 -8.445 2.821 1.00 0.00 H new ATOM 0 HB THR A 65 3.976 -9.404 1.492 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.405 -10.563 0.040 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.912 -8.970 -0.936 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.577 -7.497 0.003 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.175 -7.731 -0.744 1.00 0.00 H new ATOM 951 N SER A 66 7.598 -7.761 0.899 1.00 0.00 N ATOM 952 CA SER A 66 8.696 -7.101 0.203 1.00 0.00 C ATOM 953 C SER A 66 8.303 -6.761 -1.232 1.00 0.00 C ATOM 954 O SER A 66 8.223 -7.640 -2.090 1.00 0.00 O ATOM 955 CB SER A 66 9.939 -7.993 0.206 1.00 0.00 C ATOM 956 OG SER A 66 10.395 -8.226 1.527 1.00 0.00 O ATOM 0 H SER A 66 7.746 -8.755 1.072 1.00 0.00 H new ATOM 0 HA SER A 66 8.922 -6.173 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.710 -8.943 -0.276 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.730 -7.522 -0.378 1.00 0.00 H new ATOM 0 HG SER A 66 11.189 -8.800 1.503 1.00 0.00 H new ATOM 962 N VAL A 67 8.060 -5.479 -1.484 1.00 0.00 N ATOM 963 CA VAL A 67 7.678 -5.021 -2.815 1.00 0.00 C ATOM 964 C VAL A 67 8.058 -3.560 -3.023 1.00 0.00 C ATOM 965 O VAL A 67 7.824 -2.717 -2.157 1.00 0.00 O ATOM 966 CB VAL A 67 6.164 -5.185 -3.051 1.00 0.00 C ATOM 967 CG1 VAL A 67 5.374 -4.490 -1.953 1.00 0.00 C ATOM 968 CG2 VAL A 67 5.778 -4.647 -4.420 1.00 0.00 C ATOM 0 H VAL A 67 8.121 -4.739 -0.785 1.00 0.00 H new ATOM 0 HA VAL A 67 8.219 -5.640 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 67 5.922 -6.247 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.307 -4.617 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.631 -4.927 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.617 -3.428 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.706 -4.771 -4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.033 -3.589 -4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.318 -5.195 -5.192 1.00 0.00 H new ATOM 978 N ARG A 68 8.645 -3.266 -4.179 1.00 0.00 N ATOM 979 CA ARG A 68 9.059 -1.906 -4.501 1.00 0.00 C ATOM 980 C ARG A 68 8.194 -1.325 -5.617 1.00 0.00 C ATOM 981 O ARG A 68 7.818 -0.153 -5.580 1.00 0.00 O ATOM 982 CB ARG A 68 10.530 -1.882 -4.918 1.00 0.00 C ATOM 983 CG ARG A 68 11.492 -2.139 -3.769 1.00 0.00 C ATOM 984 CD ARG A 68 11.503 -3.606 -3.369 1.00 0.00 C ATOM 985 NE ARG A 68 11.920 -4.471 -4.470 1.00 0.00 N ATOM 986 CZ ARG A 68 11.875 -5.797 -4.421 1.00 0.00 C ATOM 987 NH1 ARG A 68 11.432 -6.409 -3.331 1.00 0.00 N ATOM 988 NH2 ARG A 68 12.271 -6.515 -5.464 1.00 0.00 N ATOM 0 H ARG A 68 8.844 -3.951 -4.908 1.00 0.00 H new ATOM 0 HA ARG A 68 8.932 -1.294 -3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.692 -2.633 -5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.758 -0.913 -5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.497 -1.832 -4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.208 -1.529 -2.912 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.176 -3.746 -2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.507 -3.898 -3.036 1.00 0.00 H new ATOM 0 HE ARG A 68 12.265 -4.032 -5.324 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.125 -5.861 -2.528 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.399 -7.428 -3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.611 -6.048 -6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.236 -7.534 -5.425 1.00 0.00 H new ATOM 1002 N LYS A 69 7.883 -2.152 -6.609 1.00 0.00 N ATOM 1003 CA LYS A 69 7.063 -1.723 -7.735 1.00 0.00 C ATOM 1004 C LYS A 69 6.219 -2.877 -8.265 1.00 0.00 C ATOM 1005 O LYS A 69 6.313 -4.002 -7.776 1.00 0.00 O ATOM 1006 CB LYS A 69 7.947 -1.168 -8.855 1.00 0.00 C ATOM 1007 CG LYS A 69 8.607 0.156 -8.509 1.00 0.00 C ATOM 1008 CD LYS A 69 7.602 1.295 -8.506 1.00 0.00 C ATOM 1009 CE LYS A 69 7.488 1.942 -9.879 1.00 0.00 C ATOM 1010 NZ LYS A 69 8.700 2.737 -10.219 1.00 0.00 N ATOM 0 H LYS A 69 8.187 -3.125 -6.656 1.00 0.00 H new ATOM 0 HA LYS A 69 6.394 -0.937 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.720 -1.899 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.343 -1.040 -9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.079 0.083 -7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.397 0.369 -9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.626 0.920 -8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.902 2.044 -7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.337 1.170 -10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.611 2.588 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.478 3.395 -10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.007 3.276 -9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.463 2.096 -10.518 1.00 0.00 H new ATOM 1024 N ASN A 70 5.395 -2.591 -9.268 1.00 0.00 N ATOM 1025 CA ASN A 70 4.535 -3.606 -9.865 1.00 0.00 C ATOM 1026 C ASN A 70 5.077 -4.051 -11.219 1.00 0.00 C ATOM 1027 O ASN A 70 5.840 -3.330 -11.861 1.00 0.00 O ATOM 1028 CB ASN A 70 3.111 -3.068 -10.025 1.00 0.00 C ATOM 1029 CG ASN A 70 3.080 -1.703 -10.684 1.00 0.00 C ATOM 1030 OD1 ASN A 70 3.431 -1.559 -11.856 1.00 0.00 O ATOM 1031 ND2 ASN A 70 2.658 -0.692 -9.933 1.00 0.00 N ATOM 0 H ASN A 70 5.305 -1.664 -9.684 1.00 0.00 H new ATOM 0 HA ASN A 70 4.518 -4.469 -9.199 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.525 -3.769 -10.620 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.636 -3.007 -9.046 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.615 0.250 -10.323 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.377 -0.857 -8.967 1.00 0.00 H new ATOM 1038 N ALA A 71 4.678 -5.244 -11.647 1.00 0.00 N ATOM 1039 CA ALA A 71 5.121 -5.785 -12.926 1.00 0.00 C ATOM 1040 C ALA A 71 4.092 -5.521 -14.020 1.00 0.00 C ATOM 1041 O ALA A 71 3.084 -6.221 -14.118 1.00 0.00 O ATOM 1042 CB ALA A 71 5.393 -7.277 -12.803 1.00 0.00 C ATOM 0 H ALA A 71 4.048 -5.855 -11.126 1.00 0.00 H new ATOM 0 HA ALA A 71 6.046 -5.280 -13.205 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.723 -7.667 -13.766 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.170 -7.445 -12.058 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.481 -7.789 -12.497 1.00 0.00 H new ATOM 1048 N ILE A 72 4.353 -4.509 -14.840 1.00 0.00 N ATOM 1049 CA ILE A 72 3.449 -4.154 -15.927 1.00 0.00 C ATOM 1050 C ILE A 72 3.426 -5.239 -16.999 1.00 0.00 C ATOM 1051 O ILE A 72 4.415 -5.942 -17.206 1.00 0.00 O ATOM 1052 CB ILE A 72 3.847 -2.815 -16.576 1.00 0.00 C ATOM 1053 CG1 ILE A 72 5.054 -3.008 -17.496 1.00 0.00 C ATOM 1054 CG2 ILE A 72 4.151 -1.778 -15.506 1.00 0.00 C ATOM 1055 CD1 ILE A 72 6.273 -3.557 -16.787 1.00 0.00 C ATOM 0 H ILE A 72 5.183 -3.920 -14.772 1.00 0.00 H new ATOM 0 HA ILE A 72 2.455 -4.056 -15.491 1.00 0.00 H new ATOM 0 HB ILE A 72 3.011 -2.456 -17.176 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.779 -3.684 -18.305 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.309 -2.052 -17.953 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.431 -0.837 -15.980 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.267 -1.624 -14.887 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.974 -2.129 -14.883 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.090 -3.668 -17.500 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.573 -2.871 -15.995 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.035 -4.529 -16.354 1.00 0.00 H new ATOM 1067 N ARG A 73 2.292 -5.367 -17.679 1.00 0.00 N ATOM 1068 CA ARG A 73 2.140 -6.365 -18.730 1.00 0.00 C ATOM 1069 C ARG A 73 3.254 -6.238 -19.765 1.00 0.00 C ATOM 1070 O ARG A 73 3.856 -7.233 -20.169 1.00 0.00 O ATOM 1071 CB ARG A 73 0.778 -6.217 -19.411 1.00 0.00 C ATOM 1072 CG ARG A 73 0.586 -4.878 -20.104 1.00 0.00 C ATOM 1073 CD ARG A 73 -0.884 -4.498 -20.185 1.00 0.00 C ATOM 1074 NE ARG A 73 -1.068 -3.072 -20.442 1.00 0.00 N ATOM 1075 CZ ARG A 73 -0.901 -2.513 -21.635 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -0.550 -3.255 -22.675 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -1.087 -1.208 -21.789 1.00 0.00 N ATOM 0 H ARG A 73 1.465 -4.792 -17.521 1.00 0.00 H new ATOM 0 HA ARG A 73 2.204 -7.352 -18.271 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.659 -7.016 -20.143 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.007 -6.347 -18.666 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.133 -4.106 -19.563 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.007 -4.923 -21.108 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.364 -5.074 -20.976 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.379 -4.765 -19.251 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.340 -2.473 -19.663 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.407 -4.258 -22.561 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.423 -2.823 -23.590 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.358 -0.634 -20.991 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.959 -0.779 -22.706 1.00 0.00 H new TER 1091 ARG A 73 HETATM 1092 ZN ZN A 201 -9.333 2.770 -4.285 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 -1.051 -7.236 -1.068 1.00 0.00 ZN