USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 445 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 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc=5.71e-05 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.626 X(o=-0.63,f=-0.41) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 8 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.5) USER MOD Single : A 9 GLN : amide:sc= 0.566 K(o=0.57,f=-0.52) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.227) USER MOD Single : A 17 ASN : amide:sc= -0.0738 X(o=-0.074,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.706 X(o=-0.71,f=-0.27) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= -0.0743 (180deg=-0.341) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -155:sc= -0.32 (180deg=-1.15) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 177:sc= 0 (180deg=-0.0132) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.0549 (180deg=-0.282) USER MOD Single : A 50 THR OG1 : rot -48:sc= 1.18 USER MOD Single : A 53 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.24) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.651 27.998 4.117 1.00 0.00 N ATOM 2 CA MET A 1 -27.394 28.163 5.379 1.00 0.00 C ATOM 3 C MET A 1 -26.910 27.143 6.398 1.00 0.00 C ATOM 4 O MET A 1 -26.794 25.953 6.105 1.00 0.00 O ATOM 5 CB MET A 1 -28.894 28.069 5.130 1.00 0.00 C ATOM 6 CG MET A 1 -29.673 28.526 6.338 1.00 0.00 C ATOM 7 SD MET A 1 -31.444 28.509 5.884 1.00 0.00 S ATOM 8 CE MET A 1 -32.052 29.813 6.968 1.00 0.00 C ATOM 0 H1 MET A 1 -27.243 28.312 3.322 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.782 28.569 4.149 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.403 26.996 3.989 1.00 0.00 H new ATOM 0 HA MET A 1 -27.204 29.155 5.790 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.162 28.680 4.268 1.00 0.00 H new ATOM 0 HB3 MET A 1 -29.162 27.041 4.888 1.00 0.00 H new ATOM 0 HG2 MET A 1 -29.488 27.867 7.186 1.00 0.00 H new ATOM 0 HG3 MET A 1 -29.363 29.527 6.638 1.00 0.00 H new ATOM 0 HE1 MET A 1 -33.125 29.938 6.821 1.00 0.00 H new ATOM 0 HE2 MET A 1 -31.857 29.544 8.006 1.00 0.00 H new ATOM 0 HE3 MET A 1 -31.543 30.748 6.734 1.00 0.00 H new ATOM 20 N GLN A 2 -26.768 27.598 7.641 1.00 0.00 N ATOM 21 CA GLN A 2 -26.501 26.697 8.755 1.00 0.00 C ATOM 22 C GLN A 2 -25.135 26.041 8.592 1.00 0.00 C ATOM 23 O GLN A 2 -25.026 24.910 8.120 1.00 0.00 O ATOM 24 CB GLN A 2 -27.599 25.647 8.940 1.00 0.00 C ATOM 25 CG GLN A 2 -27.730 25.145 10.365 1.00 0.00 C ATOM 26 CD GLN A 2 -28.040 26.244 11.353 1.00 0.00 C ATOM 27 OE1 GLN A 2 -29.190 26.609 11.581 1.00 0.00 O ATOM 28 NE2 GLN A 2 -26.985 26.745 11.991 1.00 0.00 N ATOM 0 H GLN A 2 -26.833 28.582 7.900 1.00 0.00 H new ATOM 0 HA GLN A 2 -26.496 27.300 9.663 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -28.552 26.072 8.625 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -27.395 24.801 8.284 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -28.518 24.393 10.408 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -26.803 24.653 10.657 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -26.048 26.410 11.768 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -27.114 27.464 12.703 1.00 0.00 H new ATOM 37 N ARG A 3 -24.095 26.860 8.746 1.00 0.00 N ATOM 38 CA ARG A 3 -22.728 26.383 8.592 1.00 0.00 C ATOM 39 C ARG A 3 -21.964 26.523 9.905 1.00 0.00 C ATOM 40 O ARG A 3 -21.703 27.634 10.368 1.00 0.00 O ATOM 41 CB ARG A 3 -21.986 27.135 7.478 1.00 0.00 C ATOM 42 CG ARG A 3 -21.774 28.618 7.748 1.00 0.00 C ATOM 43 CD ARG A 3 -21.705 29.403 6.482 1.00 0.00 C ATOM 44 NE ARG A 3 -22.221 30.754 6.647 1.00 0.00 N ATOM 45 CZ ARG A 3 -21.713 31.630 7.516 1.00 0.00 C ATOM 46 NH1 ARG A 3 -20.570 31.394 8.154 1.00 0.00 N ATOM 47 NH2 ARG A 3 -22.337 32.793 7.709 1.00 0.00 N ATOM 0 H ARG A 3 -24.176 27.850 8.976 1.00 0.00 H new ATOM 0 HA ARG A 3 -22.780 25.331 8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -21.015 26.664 7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -22.544 27.024 6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -22.588 28.996 8.367 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -20.853 28.757 8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.671 29.449 6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -22.274 28.890 5.706 1.00 0.00 H new ATOM 0 HE ARG A 3 -23.010 31.046 6.070 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -20.060 30.527 7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -20.203 32.080 8.814 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -23.192 33.004 7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -21.959 33.471 8.371 1.00 0.00 H new ATOM 61 N GLY A 4 -21.815 25.398 10.599 1.00 0.00 N ATOM 62 CA GLY A 4 -21.310 25.406 11.965 1.00 0.00 C ATOM 63 C GLY A 4 -20.140 24.439 12.106 1.00 0.00 C ATOM 64 O GLY A 4 -19.184 24.704 12.836 1.00 0.00 O ATOM 0 H GLY A 4 -22.037 24.471 10.237 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.992 26.413 12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.106 25.126 12.655 1.00 0.00 H new ATOM 68 N ASN A 5 -20.325 23.238 11.565 1.00 0.00 N ATOM 69 CA ASN A 5 -19.393 22.143 11.804 1.00 0.00 C ATOM 70 C ASN A 5 -18.587 21.849 10.543 1.00 0.00 C ATOM 71 O ASN A 5 -17.379 22.086 10.495 1.00 0.00 O ATOM 72 CB ASN A 5 -20.096 20.925 12.396 1.00 0.00 C ATOM 73 CG ASN A 5 -19.139 19.828 12.823 1.00 0.00 C ATOM 74 OD1 ASN A 5 -18.198 20.073 13.593 1.00 0.00 O ATOM 75 ND2 ASN A 5 -19.361 18.618 12.312 1.00 0.00 N ATOM 0 H ASN A 5 -21.111 23.000 10.960 1.00 0.00 H new ATOM 0 HA ASN A 5 -18.672 22.445 12.564 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -20.686 21.238 13.257 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -20.793 20.523 11.661 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -18.743 17.842 12.550 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -20.149 18.467 11.683 1.00 0.00 H new ATOM 82 N PHE A 6 -19.221 21.137 9.615 1.00 0.00 N ATOM 83 CA PHE A 6 -18.512 20.570 8.474 1.00 0.00 C ATOM 84 C PHE A 6 -17.909 21.678 7.620 1.00 0.00 C ATOM 85 O PHE A 6 -18.616 22.432 6.955 1.00 0.00 O ATOM 86 CB PHE A 6 -19.402 19.670 7.579 1.00 0.00 C ATOM 87 CG PHE A 6 -20.561 20.418 6.985 1.00 0.00 C ATOM 88 CD1 PHE A 6 -21.678 20.618 7.800 1.00 0.00 C ATOM 89 CD2 PHE A 6 -20.581 20.882 5.670 1.00 0.00 C ATOM 90 CE1 PHE A 6 -22.778 21.324 7.340 1.00 0.00 C ATOM 91 CE2 PHE A 6 -21.680 21.598 5.186 1.00 0.00 C ATOM 92 CZ PHE A 6 -22.766 21.844 6.044 1.00 0.00 C ATOM 0 H PHE A 6 -20.222 20.940 9.631 1.00 0.00 H new ATOM 0 HA PHE A 6 -17.729 19.939 8.893 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -18.796 19.248 6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -19.777 18.834 8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -21.684 20.217 8.803 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -19.741 20.687 5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -23.637 21.471 7.978 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -21.694 21.957 4.168 1.00 0.00 H new ATOM 0 HZ PHE A 6 -23.598 22.440 5.698 1.00 0.00 H new ATOM 102 N ARG A 7 -16.597 21.859 7.768 1.00 0.00 N ATOM 103 CA ARG A 7 -15.873 22.824 6.951 1.00 0.00 C ATOM 104 C ARG A 7 -14.546 22.236 6.485 1.00 0.00 C ATOM 105 O ARG A 7 -13.649 22.959 6.052 1.00 0.00 O ATOM 106 CB ARG A 7 -15.624 24.134 7.710 1.00 0.00 C ATOM 107 CG ARG A 7 -14.976 23.962 9.076 1.00 0.00 C ATOM 108 CD ARG A 7 -13.511 23.709 8.963 1.00 0.00 C ATOM 109 NE ARG A 7 -12.751 24.430 9.975 1.00 0.00 N ATOM 110 CZ ARG A 7 -12.153 25.600 9.745 1.00 0.00 C ATOM 111 NH1 ARG A 7 -12.376 26.287 8.629 1.00 0.00 N ATOM 112 NH2 ARG A 7 -11.356 26.119 10.680 1.00 0.00 N ATOM 0 H ARG A 7 -16.021 21.354 8.441 1.00 0.00 H new ATOM 0 HA ARG A 7 -16.493 23.049 6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.990 24.777 7.100 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.575 24.652 7.836 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.146 24.857 9.675 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -15.449 23.133 9.602 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -13.320 22.640 9.059 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -13.168 24.006 7.972 1.00 0.00 H new ATOM 0 HE ARG A 7 -12.672 24.020 10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -13.017 25.922 7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.906 27.179 8.477 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.210 25.622 11.559 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.893 27.013 10.516 1.00 0.00 H new ATOM 126 N ASN A 8 -14.539 20.912 6.334 1.00 0.00 N ATOM 127 CA ASN A 8 -13.366 20.212 5.833 1.00 0.00 C ATOM 128 C ASN A 8 -13.723 19.399 4.592 1.00 0.00 C ATOM 129 O ASN A 8 -14.107 18.232 4.691 1.00 0.00 O ATOM 130 CB ASN A 8 -12.678 19.404 6.932 1.00 0.00 C ATOM 131 CG ASN A 8 -13.512 18.239 7.431 1.00 0.00 C ATOM 132 OD1 ASN A 8 -14.535 18.433 8.103 1.00 0.00 O ATOM 133 ND2 ASN A 8 -13.089 17.022 7.092 1.00 0.00 N ATOM 0 H ASN A 8 -15.332 20.308 6.552 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.622 20.944 5.517 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -11.728 19.026 6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -12.449 20.063 7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.614 16.199 7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.240 16.913 6.537 1.00 0.00 H new ATOM 140 N GLN A 9 -13.371 19.948 3.432 1.00 0.00 N ATOM 141 CA GLN A 9 -13.410 19.189 2.187 1.00 0.00 C ATOM 142 C GLN A 9 -12.024 18.664 1.841 1.00 0.00 C ATOM 143 O GLN A 9 -11.686 18.466 0.676 1.00 0.00 O ATOM 144 CB GLN A 9 -14.004 19.994 1.028 1.00 0.00 C ATOM 145 CG GLN A 9 -13.131 21.150 0.577 1.00 0.00 C ATOM 146 CD GLN A 9 -12.801 21.102 -0.894 1.00 0.00 C ATOM 147 OE1 GLN A 9 -12.802 22.111 -1.595 1.00 0.00 O ATOM 148 NE2 GLN A 9 -12.439 19.906 -1.354 1.00 0.00 N ATOM 0 H GLN A 9 -13.057 20.913 3.329 1.00 0.00 H new ATOM 0 HA GLN A 9 -14.075 18.340 2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -14.173 19.327 0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -14.978 20.381 1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -13.638 22.089 0.799 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -12.205 21.144 1.152 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -12.454 19.096 -0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -12.147 19.800 -2.326 1.00 0.00 H new ATOM 157 N ARG A 10 -11.207 18.479 2.875 1.00 0.00 N ATOM 158 CA ARG A 10 -9.800 18.150 2.680 1.00 0.00 C ATOM 159 C ARG A 10 -9.660 16.771 2.045 1.00 0.00 C ATOM 160 O ARG A 10 -9.269 16.647 0.883 1.00 0.00 O ATOM 161 CB ARG A 10 -9.019 18.197 4.000 1.00 0.00 C ATOM 162 CG ARG A 10 -8.785 19.598 4.548 1.00 0.00 C ATOM 163 CD ARG A 10 -7.985 19.569 5.807 1.00 0.00 C ATOM 164 NE ARG A 10 -8.811 19.788 6.986 1.00 0.00 N ATOM 165 CZ ARG A 10 -8.397 20.478 8.051 1.00 0.00 C ATOM 166 NH1 ARG A 10 -7.128 20.850 8.188 1.00 0.00 N ATOM 167 NH2 ARG A 10 -9.266 20.756 9.023 1.00 0.00 N ATOM 0 H ARG A 10 -11.494 18.551 3.851 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.378 18.901 2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.558 17.614 4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.054 17.712 3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.267 20.200 3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.744 20.080 4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.479 18.607 5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.210 20.334 5.761 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.752 19.395 6.999 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.445 20.609 7.470 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.837 21.377 9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.234 20.442 8.947 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.963 21.282 9.843 1.00 0.00 H new ATOM 181 N LYS A 11 -9.774 15.743 2.883 1.00 0.00 N ATOM 182 CA LYS A 11 -9.414 14.389 2.480 1.00 0.00 C ATOM 183 C LYS A 11 -7.934 14.319 2.120 1.00 0.00 C ATOM 184 O LYS A 11 -7.226 15.325 2.148 1.00 0.00 O ATOM 185 CB LYS A 11 -10.242 13.914 1.285 1.00 0.00 C ATOM 186 CG LYS A 11 -11.746 14.140 1.444 1.00 0.00 C ATOM 187 CD LYS A 11 -12.555 13.622 0.271 1.00 0.00 C ATOM 188 CE LYS A 11 -12.137 14.142 -1.045 1.00 0.00 C ATOM 189 NZ LYS A 11 -11.588 13.087 -1.906 1.00 0.00 N ATOM 0 H LYS A 11 -10.112 15.823 3.842 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.622 13.735 3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.899 14.432 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.059 12.851 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.086 13.650 2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.936 15.206 1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.489 12.534 0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.603 13.875 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.991 14.605 -1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.388 14.922 -0.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.307 13.496 -2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.757 12.662 -1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.310 12.355 -2.062 1.00 0.00 H new ATOM 203 N ILE A 12 -7.551 13.185 1.535 1.00 0.00 N ATOM 204 CA ILE A 12 -6.179 12.990 1.088 1.00 0.00 C ATOM 205 C ILE A 12 -6.035 11.658 0.365 1.00 0.00 C ATOM 206 O ILE A 12 -5.255 10.791 0.751 1.00 0.00 O ATOM 207 CB ILE A 12 -5.187 13.114 2.308 1.00 0.00 C ATOM 208 CG1 ILE A 12 -3.729 13.076 1.781 1.00 0.00 C ATOM 209 CG2 ILE A 12 -5.443 12.047 3.393 1.00 0.00 C ATOM 210 CD1 ILE A 12 -2.836 14.235 2.287 1.00 0.00 C ATOM 0 H ILE A 12 -8.170 12.393 1.362 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.921 13.772 0.373 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.362 14.070 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.275 12.129 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.749 13.098 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.732 12.179 4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.458 12.153 3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.320 11.053 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.834 14.131 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.263 15.187 1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.781 14.204 3.375 1.00 0.00 H new ATOM 222 N ILE A 13 -6.709 11.568 -0.783 1.00 0.00 N ATOM 223 CA ILE A 13 -6.806 10.288 -1.491 1.00 0.00 C ATOM 224 C ILE A 13 -5.626 10.115 -2.433 1.00 0.00 C ATOM 225 O ILE A 13 -5.769 10.148 -3.655 1.00 0.00 O ATOM 226 CB ILE A 13 -8.190 10.241 -2.253 1.00 0.00 C ATOM 227 CG1 ILE A 13 -8.247 11.422 -3.258 1.00 0.00 C ATOM 228 CG2 ILE A 13 -9.394 10.242 -1.287 1.00 0.00 C ATOM 229 CD1 ILE A 13 -8.209 10.997 -4.746 1.00 0.00 C ATOM 0 H ILE A 13 -7.187 12.347 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.768 9.457 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.260 9.301 -2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.158 11.992 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.409 12.091 -3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.320 10.209 -1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.339 9.370 -0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.374 11.148 -0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.253 11.883 -5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.285 10.454 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.062 10.354 -4.963 1.00 0.00 H new ATOM 241 N LYS A 14 -4.427 10.145 -1.850 1.00 0.00 N ATOM 242 CA LYS A 14 -3.198 10.101 -2.626 1.00 0.00 C ATOM 243 C LYS A 14 -1.985 10.182 -1.706 1.00 0.00 C ATOM 244 O LYS A 14 -2.010 10.846 -0.672 1.00 0.00 O ATOM 245 CB LYS A 14 -3.124 11.241 -3.645 1.00 0.00 C ATOM 246 CG LYS A 14 -3.409 12.621 -3.053 1.00 0.00 C ATOM 247 CD LYS A 14 -4.530 13.355 -3.764 1.00 0.00 C ATOM 248 CE LYS A 14 -4.628 14.791 -3.443 1.00 0.00 C ATOM 249 NZ LYS A 14 -4.483 15.047 -2.004 1.00 0.00 N ATOM 0 H LYS A 14 -4.286 10.200 -0.841 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.197 9.154 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.132 11.248 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.837 11.046 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.666 12.511 -1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.502 13.224 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.392 13.246 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.476 12.875 -3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.857 15.337 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.590 15.173 -3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.987 15.922 -1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.885 14.252 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.475 15.149 -1.769 1.00 0.00 H new ATOM 263 N CYS A 15 -0.934 9.461 -2.086 1.00 0.00 N ATOM 264 CA CYS A 15 0.200 9.256 -1.180 1.00 0.00 C ATOM 265 C CYS A 15 1.361 10.154 -1.598 1.00 0.00 C ATOM 266 O CYS A 15 1.984 9.929 -2.641 1.00 0.00 O ATOM 267 CB CYS A 15 0.596 7.784 -1.157 1.00 0.00 C ATOM 268 SG CYS A 15 1.777 7.322 0.129 1.00 0.00 S ATOM 0 H CYS A 15 -0.840 9.014 -2.998 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.086 9.531 -0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.305 7.184 -1.032 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.020 7.524 -2.127 1.00 0.00 H new ATOM 273 N PHE A 16 1.900 10.866 -0.601 1.00 0.00 N ATOM 274 CA PHE A 16 2.986 11.802 -0.861 1.00 0.00 C ATOM 275 C PHE A 16 4.214 11.063 -1.385 1.00 0.00 C ATOM 276 O PHE A 16 5.155 11.688 -1.882 1.00 0.00 O ATOM 277 CB PHE A 16 3.395 12.635 0.381 1.00 0.00 C ATOM 278 CG PHE A 16 2.433 13.755 0.661 1.00 0.00 C ATOM 279 CD1 PHE A 16 2.004 14.658 -0.311 1.00 0.00 C ATOM 280 CD2 PHE A 16 2.002 13.911 1.981 1.00 0.00 C ATOM 281 CE1 PHE A 16 1.163 15.722 0.028 1.00 0.00 C ATOM 282 CE2 PHE A 16 1.166 14.958 2.339 1.00 0.00 C ATOM 283 CZ PHE A 16 0.775 15.885 1.370 1.00 0.00 C ATOM 0 H PHE A 16 1.605 10.810 0.374 1.00 0.00 H new ATOM 0 HA PHE A 16 2.605 12.496 -1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.451 11.981 1.251 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.393 13.046 0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.324 14.534 -1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.324 13.206 2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.816 16.409 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.820 15.056 3.358 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.170 16.734 1.654 1.00 0.00 H new ATOM 293 N ASN A 17 4.290 9.771 -1.079 1.00 0.00 N ATOM 294 CA ASN A 17 5.585 9.072 -1.083 1.00 0.00 C ATOM 295 C ASN A 17 5.719 8.226 -2.337 1.00 0.00 C ATOM 296 O ASN A 17 6.761 8.223 -2.995 1.00 0.00 O ATOM 297 CB ASN A 17 5.772 8.305 0.226 1.00 0.00 C ATOM 298 CG ASN A 17 7.178 7.774 0.414 1.00 0.00 C ATOM 299 OD1 ASN A 17 8.065 8.497 0.903 1.00 0.00 O ATOM 300 ND2 ASN A 17 7.460 6.636 -0.234 1.00 0.00 N ATOM 0 H ASN A 17 3.490 9.190 -0.829 1.00 0.00 H new ATOM 0 HA ASN A 17 6.406 9.788 -1.124 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.524 8.960 1.061 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.070 7.472 0.254 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.429 6.336 -0.340 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.706 6.069 -0.622 1.00 0.00 H new ATOM 307 N CYS A 18 4.764 7.304 -2.502 1.00 0.00 N ATOM 308 CA CYS A 18 4.779 6.406 -3.648 1.00 0.00 C ATOM 309 C CYS A 18 4.053 7.033 -4.832 1.00 0.00 C ATOM 310 O CYS A 18 4.208 6.599 -5.973 1.00 0.00 O ATOM 311 CB CYS A 18 4.235 5.028 -3.296 1.00 0.00 C ATOM 312 SG CYS A 18 2.552 5.001 -2.642 1.00 0.00 S ATOM 0 H CYS A 18 3.982 7.165 -1.862 1.00 0.00 H new ATOM 0 HA CYS A 18 5.817 6.254 -3.945 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.269 4.404 -4.189 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.899 4.571 -2.562 1.00 0.00 H new ATOM 317 N GLY A 19 3.057 7.859 -4.506 1.00 0.00 N ATOM 318 CA GLY A 19 2.247 8.505 -5.529 1.00 0.00 C ATOM 319 C GLY A 19 0.841 7.914 -5.550 1.00 0.00 C ATOM 320 O GLY A 19 -0.105 8.555 -6.009 1.00 0.00 O ATOM 0 H GLY A 19 2.797 8.092 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.194 9.577 -5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.715 8.379 -6.505 1.00 0.00 H new ATOM 324 N LYS A 20 0.763 6.617 -5.263 1.00 0.00 N ATOM 325 CA LYS A 20 -0.458 5.856 -5.503 1.00 0.00 C ATOM 326 C LYS A 20 -1.605 6.417 -4.672 1.00 0.00 C ATOM 327 O LYS A 20 -1.418 6.831 -3.528 1.00 0.00 O ATOM 328 CB LYS A 20 -0.277 4.374 -5.172 1.00 0.00 C ATOM 329 CG LYS A 20 0.091 3.510 -6.380 1.00 0.00 C ATOM 330 CD LYS A 20 0.577 2.126 -5.995 1.00 0.00 C ATOM 331 CE LYS A 20 0.053 1.031 -6.834 1.00 0.00 C ATOM 332 NZ LYS A 20 -0.577 -0.025 -6.032 1.00 0.00 N ATOM 0 H LYS A 20 1.529 6.073 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.690 5.947 -6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.501 4.273 -4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.200 3.994 -4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.779 3.415 -7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.867 4.014 -6.957 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.666 2.112 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.301 1.935 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.674 1.432 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.866 0.604 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.931 -0.774 -6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.123 -0.426 -5.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.369 0.376 -5.491 1.00 0.00 H new ATOM 346 N GLU A 21 -2.819 6.253 -5.192 1.00 0.00 N ATOM 347 CA GLU A 21 -4.021 6.569 -4.434 1.00 0.00 C ATOM 348 C GLU A 21 -4.578 5.316 -3.770 1.00 0.00 C ATOM 349 O GLU A 21 -4.622 4.243 -4.369 1.00 0.00 O ATOM 350 CB GLU A 21 -5.035 7.179 -5.412 1.00 0.00 C ATOM 351 CG GLU A 21 -5.893 6.428 -6.256 1.00 0.00 C ATOM 352 CD GLU A 21 -5.552 6.382 -7.715 1.00 0.00 C ATOM 353 OE1 GLU A 21 -4.613 5.594 -7.956 1.00 0.00 O ATOM 354 OE2 GLU A 21 -6.153 6.998 -8.578 1.00 0.00 O ATOM 0 H GLU A 21 -2.994 5.903 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.800 7.278 -3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.685 7.817 -4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.463 7.834 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.921 5.404 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.901 6.831 -6.157 1.00 0.00 H new ATOM 361 N GLY A 22 -4.800 5.420 -2.460 1.00 0.00 N ATOM 362 CA GLY A 22 -5.333 4.305 -1.693 1.00 0.00 C ATOM 363 C GLY A 22 -4.997 4.465 -0.214 1.00 0.00 C ATOM 364 O GLY A 22 -5.746 4.025 0.658 1.00 0.00 O ATOM 0 H GLY A 22 -4.619 6.262 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.414 4.251 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.920 3.368 -2.067 1.00 0.00 H new ATOM 368 N HIS A 23 -3.746 4.850 0.039 1.00 0.00 N ATOM 369 CA HIS A 23 -3.262 4.998 1.404 1.00 0.00 C ATOM 370 C HIS A 23 -2.606 6.359 1.592 1.00 0.00 C ATOM 371 O HIS A 23 -2.299 7.062 0.631 1.00 0.00 O ATOM 372 CB HIS A 23 -2.260 3.891 1.828 1.00 0.00 C ATOM 373 CG HIS A 23 -1.039 3.861 0.958 1.00 0.00 C ATOM 374 ND1 HIS A 23 -0.960 3.188 -0.235 1.00 0.00 N ATOM 375 CD2 HIS A 23 0.113 4.570 1.065 1.00 0.00 C ATOM 376 CE1 HIS A 23 0.194 3.474 -0.820 1.00 0.00 C ATOM 377 NE2 HIS A 23 0.857 4.316 -0.059 1.00 0.00 N ATOM 0 H HIS A 23 -3.056 5.063 -0.681 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.140 4.905 2.043 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -1.961 4.053 2.864 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -2.756 2.921 1.787 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -1.676 2.566 -0.612 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.393 5.216 1.884 1.00 0.00 H new ATOM 0 HE1 HIS A 23 0.534 3.080 -1.766 1.00 0.00 H new ATOM 385 N ILE A 24 -2.420 6.735 2.856 1.00 0.00 N ATOM 386 CA ILE A 24 -1.682 7.946 3.183 1.00 0.00 C ATOM 387 C ILE A 24 -0.249 7.607 3.577 1.00 0.00 C ATOM 388 O ILE A 24 0.105 6.439 3.744 1.00 0.00 O ATOM 389 CB ILE A 24 -2.426 8.745 4.325 1.00 0.00 C ATOM 390 CG1 ILE A 24 -2.602 7.826 5.555 1.00 0.00 C ATOM 391 CG2 ILE A 24 -3.750 9.374 3.845 1.00 0.00 C ATOM 392 CD1 ILE A 24 -3.828 6.883 5.506 1.00 0.00 C ATOM 0 H ILE A 24 -2.769 6.220 3.664 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.638 8.585 2.301 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.810 9.596 4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.703 7.220 5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.679 8.450 6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.218 9.910 4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.548 10.068 3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.420 8.589 3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.861 6.281 6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.740 7.475 5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.748 6.227 4.639 1.00 0.00 H new ATOM 404 N ALA A 25 0.600 8.629 3.591 1.00 0.00 N ATOM 405 CA ALA A 25 2.053 8.401 3.557 1.00 0.00 C ATOM 406 C ALA A 25 2.570 8.060 4.943 1.00 0.00 C ATOM 407 O ALA A 25 3.496 7.250 5.087 1.00 0.00 O ATOM 408 CB ALA A 25 2.714 9.669 3.006 1.00 0.00 C ATOM 0 H ALA A 25 0.321 9.610 3.625 1.00 0.00 H new ATOM 0 HA ALA A 25 2.294 7.555 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.794 9.529 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.339 9.868 2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.479 10.513 3.655 1.00 0.00 H new ATOM 414 N LYS A 26 1.748 8.368 5.947 1.00 0.00 N ATOM 415 CA LYS A 26 2.007 7.948 7.315 1.00 0.00 C ATOM 416 C LYS A 26 2.087 6.429 7.412 1.00 0.00 C ATOM 417 O LYS A 26 2.531 5.883 8.424 1.00 0.00 O ATOM 418 CB LYS A 26 0.928 8.457 8.275 1.00 0.00 C ATOM 419 CG LYS A 26 1.303 9.755 8.992 1.00 0.00 C ATOM 420 CD LYS A 26 0.734 9.846 10.395 1.00 0.00 C ATOM 421 CE LYS A 26 -0.726 9.655 10.483 1.00 0.00 C ATOM 422 NZ LYS A 26 -1.079 8.413 11.182 1.00 0.00 N ATOM 0 H LYS A 26 0.892 8.911 5.832 1.00 0.00 H new ATOM 0 HA LYS A 26 2.965 8.381 7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.004 8.614 7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.725 7.687 9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.389 9.835 9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.947 10.602 8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.223 9.098 11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.985 10.822 10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.171 10.503 11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.150 9.639 9.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.114 8.319 11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.676 7.601 10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.697 8.438 12.149 1.00 0.00 H new ATOM 436 N ASN A 27 1.458 5.761 6.450 1.00 0.00 N ATOM 437 CA ASN A 27 1.260 4.320 6.524 1.00 0.00 C ATOM 438 C ASN A 27 1.878 3.635 5.311 1.00 0.00 C ATOM 439 O ASN A 27 1.366 2.633 4.814 1.00 0.00 O ATOM 440 CB ASN A 27 -0.205 3.964 6.767 1.00 0.00 C ATOM 441 CG ASN A 27 -0.401 2.954 7.881 1.00 0.00 C ATOM 442 OD1 ASN A 27 -1.197 2.012 7.751 1.00 0.00 O ATOM 443 ND2 ASN A 27 0.310 3.153 8.990 1.00 0.00 N ATOM 0 H ASN A 27 1.077 6.196 5.610 1.00 0.00 H new ATOM 0 HA ASN A 27 1.789 3.932 7.394 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.757 4.872 7.009 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.632 3.566 5.846 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.212 2.515 9.780 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.952 3.943 9.049 1.00 0.00 H new ATOM 450 N CYS A 28 2.935 4.247 4.789 1.00 0.00 N ATOM 451 CA CYS A 28 3.490 3.833 3.501 1.00 0.00 C ATOM 452 C CYS A 28 4.613 2.819 3.724 1.00 0.00 C ATOM 453 O CYS A 28 5.792 3.183 3.719 1.00 0.00 O ATOM 454 CB CYS A 28 3.967 5.053 2.717 1.00 0.00 C ATOM 455 SG CYS A 28 4.412 4.741 0.998 1.00 0.00 S ATOM 0 H CYS A 28 3.423 5.026 5.232 1.00 0.00 H new ATOM 0 HA CYS A 28 2.717 3.347 2.906 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.182 5.809 2.740 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.832 5.477 3.228 1.00 0.00 H new ATOM 460 N ARG A 29 4.262 1.539 3.606 1.00 0.00 N ATOM 461 CA ARG A 29 5.245 0.510 3.244 1.00 0.00 C ATOM 462 C ARG A 29 5.115 0.178 1.762 1.00 0.00 C ATOM 463 O ARG A 29 4.526 -0.837 1.374 1.00 0.00 O ATOM 464 CB ARG A 29 5.095 -0.743 4.101 1.00 0.00 C ATOM 465 CG ARG A 29 6.222 -0.978 5.099 1.00 0.00 C ATOM 466 CD ARG A 29 7.424 -1.566 4.441 1.00 0.00 C ATOM 467 NE ARG A 29 8.457 -0.570 4.194 1.00 0.00 N ATOM 468 CZ ARG A 29 9.762 -0.838 4.261 1.00 0.00 C ATOM 469 NH1 ARG A 29 10.211 -2.086 4.358 1.00 0.00 N ATOM 470 NH2 ARG A 29 10.638 0.162 4.166 1.00 0.00 N ATOM 0 H ARG A 29 3.315 1.189 3.753 1.00 0.00 H new ATOM 0 HA ARG A 29 6.242 0.906 3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.153 -0.681 4.647 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.026 -1.609 3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.491 -0.034 5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.876 -1.645 5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.829 -2.359 5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.131 -2.026 3.497 1.00 0.00 H new ATOM 0 HE ARG A 29 8.169 0.379 3.958 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.552 -2.864 4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.214 -2.265 4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.308 1.119 4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.639 -0.030 4.216 1.00 0.00 H new ATOM 484 N ALA A 30 5.443 1.171 0.948 1.00 0.00 N ATOM 485 CA ALA A 30 5.207 1.084 -0.498 1.00 0.00 C ATOM 486 C ALA A 30 6.001 -0.063 -1.094 1.00 0.00 C ATOM 487 O ALA A 30 7.142 -0.305 -0.682 1.00 0.00 O ATOM 488 CB ALA A 30 5.623 2.432 -1.104 1.00 0.00 C ATOM 0 H ALA A 30 5.871 2.044 1.255 1.00 0.00 H new ATOM 0 HA ALA A 30 4.158 0.885 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.463 2.411 -2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.024 3.229 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.678 2.614 -0.897 1.00 0.00 H new ATOM 494 N PRO A 31 5.349 -0.911 -1.931 1.00 0.00 N ATOM 495 CA PRO A 31 5.864 -2.253 -2.135 1.00 0.00 C ATOM 496 C PRO A 31 7.236 -2.192 -2.798 1.00 0.00 C ATOM 497 O PRO A 31 7.747 -1.122 -3.115 1.00 0.00 O ATOM 498 CB PRO A 31 4.687 -2.884 -2.866 1.00 0.00 C ATOM 499 CG PRO A 31 4.004 -1.701 -3.554 1.00 0.00 C ATOM 500 CD PRO A 31 4.118 -0.540 -2.618 1.00 0.00 C ATOM 0 HA PRO A 31 6.119 -2.867 -1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.019 -3.629 -3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.012 -3.389 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.482 -1.478 -4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.959 -1.927 -3.766 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.200 0.413 -3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.267 -0.461 -1.941 1.00 0.00 H new ATOM 508 N ARG A 32 7.881 -3.355 -2.868 1.00 0.00 N ATOM 509 CA ARG A 32 9.172 -3.461 -3.536 1.00 0.00 C ATOM 510 C ARG A 32 9.088 -4.450 -4.695 1.00 0.00 C ATOM 511 O ARG A 32 8.767 -5.623 -4.500 1.00 0.00 O ATOM 512 CB ARG A 32 10.277 -3.895 -2.564 1.00 0.00 C ATOM 513 CG ARG A 32 11.675 -3.430 -2.945 1.00 0.00 C ATOM 514 CD ARG A 32 11.888 -1.993 -2.608 1.00 0.00 C ATOM 515 NE ARG A 32 11.639 -1.120 -3.746 1.00 0.00 N ATOM 516 CZ ARG A 32 11.166 0.122 -3.626 1.00 0.00 C ATOM 517 NH1 ARG A 32 11.078 0.721 -2.442 1.00 0.00 N ATOM 518 NH2 ARG A 32 10.824 0.798 -4.723 1.00 0.00 N ATOM 0 H ARG A 32 7.533 -4.229 -2.473 1.00 0.00 H new ATOM 0 HA ARG A 32 9.426 -2.473 -3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.040 -3.513 -1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.276 -4.983 -2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.415 -4.039 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.830 -3.580 -4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.229 -1.713 -1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.911 -1.851 -2.260 1.00 0.00 H new ATOM 0 HE ARG A 32 11.836 -1.475 -4.682 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.376 0.230 -1.599 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.713 1.671 -2.377 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.925 0.365 -5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.461 1.748 -4.644 1.00 0.00 H new ATOM 532 N LYS A 33 9.153 -3.911 -5.909 1.00 0.00 N ATOM 533 CA LYS A 33 8.834 -4.683 -7.104 1.00 0.00 C ATOM 534 C LYS A 33 9.843 -5.810 -7.292 1.00 0.00 C ATOM 535 O LYS A 33 10.951 -5.597 -7.782 1.00 0.00 O ATOM 536 CB LYS A 33 8.822 -3.809 -8.359 1.00 0.00 C ATOM 537 CG LYS A 33 7.951 -2.558 -8.234 1.00 0.00 C ATOM 538 CD LYS A 33 8.755 -1.272 -8.210 1.00 0.00 C ATOM 539 CE LYS A 33 9.500 -0.987 -9.451 1.00 0.00 C ATOM 540 NZ LYS A 33 8.649 -1.097 -10.643 1.00 0.00 N ATOM 0 H LYS A 33 9.423 -2.944 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 33 7.836 -5.097 -6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.844 -3.507 -8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.468 -4.404 -9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.250 -2.526 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.358 -2.625 -7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.079 -0.441 -8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.461 -1.316 -7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.921 0.017 -9.398 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.337 -1.680 -9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.147 -0.697 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.433 -2.098 -10.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.764 -0.574 -10.487 1.00 0.00 H new ATOM 554 N ARG A 34 9.535 -6.951 -6.676 1.00 0.00 N ATOM 555 CA ARG A 34 10.423 -8.103 -6.726 1.00 0.00 C ATOM 556 C ARG A 34 9.643 -9.361 -7.093 1.00 0.00 C ATOM 557 O ARG A 34 8.451 -9.473 -6.803 1.00 0.00 O ATOM 558 CB ARG A 34 11.153 -8.316 -5.393 1.00 0.00 C ATOM 559 CG ARG A 34 11.530 -7.033 -4.665 1.00 0.00 C ATOM 560 CD ARG A 34 12.998 -6.778 -4.724 1.00 0.00 C ATOM 561 NE ARG A 34 13.501 -6.185 -3.493 1.00 0.00 N ATOM 562 CZ ARG A 34 14.467 -5.265 -3.467 1.00 0.00 C ATOM 563 NH1 ARG A 34 15.178 -4.971 -4.552 1.00 0.00 N ATOM 564 NH2 ARG A 34 14.766 -4.668 -2.312 1.00 0.00 N ATOM 0 H ARG A 34 8.680 -7.098 -6.140 1.00 0.00 H new ATOM 0 HA ARG A 34 11.171 -7.904 -7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.521 -8.917 -4.739 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.059 -8.893 -5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.996 -6.192 -5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.213 -7.098 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.521 -7.715 -4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.217 -6.115 -5.561 1.00 0.00 H new ATOM 0 HE ARG A 34 13.095 -6.488 -2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.990 -5.453 -5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.911 -4.263 -4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.258 -4.917 -1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.502 -3.963 -2.278 1.00 0.00 H new ATOM 578 N GLY A 35 10.381 -10.382 -7.521 1.00 0.00 N ATOM 579 CA GLY A 35 9.810 -11.709 -7.709 1.00 0.00 C ATOM 580 C GLY A 35 10.008 -12.557 -6.457 1.00 0.00 C ATOM 581 O GLY A 35 9.960 -12.050 -5.336 1.00 0.00 O ATOM 0 H GLY A 35 11.374 -10.314 -7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.747 -11.625 -7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.280 -12.196 -8.564 1.00 0.00 H new ATOM 585 N CYS A 36 10.428 -13.801 -6.672 1.00 0.00 N ATOM 586 CA CYS A 36 10.886 -14.649 -5.577 1.00 0.00 C ATOM 587 C CYS A 36 12.406 -14.616 -5.482 1.00 0.00 C ATOM 588 O CYS A 36 13.116 -15.056 -6.384 1.00 0.00 O ATOM 589 CB CYS A 36 10.363 -16.075 -5.731 1.00 0.00 C ATOM 590 SG CYS A 36 10.523 -17.093 -4.243 1.00 0.00 S ATOM 0 H CYS A 36 10.460 -14.242 -7.591 1.00 0.00 H new ATOM 0 HA CYS A 36 10.482 -14.257 -4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 36 9.312 -16.035 -6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 36 10.898 -16.559 -6.548 1.00 0.00 H new ATOM 595 N TRP A 37 12.884 -14.323 -4.270 1.00 0.00 N ATOM 596 CA TRP A 37 14.318 -14.126 -4.065 1.00 0.00 C ATOM 597 C TRP A 37 15.033 -15.461 -3.928 1.00 0.00 C ATOM 598 O TRP A 37 16.263 -15.532 -4.003 1.00 0.00 O ATOM 599 CB TRP A 37 14.550 -13.206 -2.859 1.00 0.00 C ATOM 600 CG TRP A 37 13.689 -11.992 -2.826 1.00 0.00 C ATOM 601 CD1 TRP A 37 13.867 -10.824 -3.517 1.00 0.00 C ATOM 602 CD2 TRP A 37 12.533 -11.789 -1.997 1.00 0.00 C ATOM 603 NE1 TRP A 37 12.872 -9.928 -3.204 1.00 0.00 N ATOM 604 CE2 TRP A 37 12.049 -10.490 -2.270 1.00 0.00 C ATOM 605 CE3 TRP A 37 11.863 -12.591 -1.079 1.00 0.00 C ATOM 606 CZ2 TRP A 37 10.920 -9.975 -1.648 1.00 0.00 C ATOM 607 CZ3 TRP A 37 10.741 -12.079 -0.460 1.00 0.00 C ATOM 608 CH2 TRP A 37 10.272 -10.798 -0.740 1.00 0.00 C ATOM 0 H TRP A 37 12.311 -14.219 -3.432 1.00 0.00 H new ATOM 0 HA TRP A 37 14.745 -13.635 -4.939 1.00 0.00 H new ATOM 0 HB2 TRP A 37 14.383 -13.778 -1.946 1.00 0.00 H new ATOM 0 HB3 TRP A 37 15.594 -12.894 -2.853 1.00 0.00 H new ATOM 0 HD1 TRP A 37 14.674 -10.633 -4.209 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.766 -8.996 -3.604 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.212 -13.589 -0.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 10.563 -8.978 -1.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 10.213 -12.687 0.260 1.00 0.00 H new ATOM 0 HH2 TRP A 37 9.385 -10.438 -0.239 1.00 0.00 H new ATOM 619 N LYS A 38 14.283 -16.474 -3.501 1.00 0.00 N ATOM 620 CA LYS A 38 14.872 -17.729 -3.054 1.00 0.00 C ATOM 621 C LYS A 38 15.228 -18.606 -4.247 1.00 0.00 C ATOM 622 O LYS A 38 16.270 -19.257 -4.275 1.00 0.00 O ATOM 623 CB LYS A 38 13.928 -18.502 -2.130 1.00 0.00 C ATOM 624 CG LYS A 38 14.633 -19.188 -0.959 1.00 0.00 C ATOM 625 CD LYS A 38 15.157 -18.211 0.077 1.00 0.00 C ATOM 626 CE LYS A 38 15.063 -18.680 1.472 1.00 0.00 C ATOM 627 NZ LYS A 38 15.822 -17.825 2.394 1.00 0.00 N ATOM 0 H LYS A 38 13.264 -16.448 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 38 15.774 -17.478 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.177 -17.816 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.399 -19.255 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.939 -19.879 -0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.463 -19.783 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.200 -17.990 -0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.606 -17.275 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.017 -18.702 1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.436 -19.702 1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.729 -18.191 3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.825 -17.823 2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.450 -16.855 2.353 1.00 0.00 H new ATOM 641 N CYS A 39 14.273 -18.728 -5.168 1.00 0.00 N ATOM 642 CA CYS A 39 14.482 -19.515 -6.374 1.00 0.00 C ATOM 643 C CYS A 39 14.921 -18.621 -7.528 1.00 0.00 C ATOM 644 O CYS A 39 15.769 -18.998 -8.337 1.00 0.00 O ATOM 645 CB CYS A 39 13.244 -20.334 -6.728 1.00 0.00 C ATOM 646 SG CYS A 39 11.721 -19.375 -6.896 1.00 0.00 S ATOM 0 H CYS A 39 13.353 -18.293 -5.099 1.00 0.00 H new ATOM 0 HA CYS A 39 15.285 -20.226 -6.181 1.00 0.00 H new ATOM 0 HB2 CYS A 39 13.430 -20.861 -7.664 1.00 0.00 H new ATOM 0 HB3 CYS A 39 13.096 -21.093 -5.959 1.00 0.00 H new ATOM 651 N GLY A 40 14.529 -17.351 -7.437 1.00 0.00 N ATOM 652 CA GLY A 40 14.899 -16.370 -8.447 1.00 0.00 C ATOM 653 C GLY A 40 13.717 -16.079 -9.366 1.00 0.00 C ATOM 654 O GLY A 40 13.726 -15.104 -10.118 1.00 0.00 O ATOM 0 H GLY A 40 13.958 -16.982 -6.677 1.00 0.00 H new ATOM 0 HA2 GLY A 40 15.228 -15.449 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 40 15.740 -16.741 -9.033 1.00 0.00 H new ATOM 658 N LYS A 41 12.805 -17.044 -9.444 1.00 0.00 N ATOM 659 CA LYS A 41 11.744 -17.010 -10.443 1.00 0.00 C ATOM 660 C LYS A 41 10.652 -16.032 -10.025 1.00 0.00 C ATOM 661 O LYS A 41 10.449 -15.781 -8.837 1.00 0.00 O ATOM 662 CB LYS A 41 11.121 -18.391 -10.657 1.00 0.00 C ATOM 663 CG LYS A 41 11.778 -19.201 -11.775 1.00 0.00 C ATOM 664 CD LYS A 41 10.791 -20.048 -12.557 1.00 0.00 C ATOM 665 CE LYS A 41 9.973 -20.959 -11.735 1.00 0.00 C ATOM 666 NZ LYS A 41 10.742 -21.549 -10.632 1.00 0.00 N ATOM 0 H LYS A 41 12.780 -17.857 -8.828 1.00 0.00 H new ATOM 0 HA LYS A 41 12.196 -16.685 -11.380 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.185 -18.956 -9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.062 -18.270 -10.884 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.285 -18.520 -12.459 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.542 -19.848 -11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.126 -19.387 -13.113 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.341 -20.638 -13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.120 -20.414 -11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.574 -21.755 -12.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.310 -22.453 -10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.721 -21.714 -10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.740 -20.899 -9.821 1.00 0.00 H new ATOM 680 N GLU A 42 10.103 -15.333 -11.016 1.00 0.00 N ATOM 681 CA GLU A 42 9.213 -14.211 -10.754 1.00 0.00 C ATOM 682 C GLU A 42 7.757 -14.641 -10.901 1.00 0.00 C ATOM 683 O GLU A 42 7.279 -14.885 -12.009 1.00 0.00 O ATOM 684 CB GLU A 42 9.569 -13.099 -11.750 1.00 0.00 C ATOM 685 CG GLU A 42 10.684 -12.232 -11.626 1.00 0.00 C ATOM 686 CD GLU A 42 10.707 -11.015 -12.503 1.00 0.00 C ATOM 687 OE1 GLU A 42 9.834 -10.732 -13.304 1.00 0.00 O ATOM 688 OE2 GLU A 42 11.711 -10.301 -12.293 1.00 0.00 O ATOM 0 H GLU A 42 10.260 -15.526 -12.005 1.00 0.00 H new ATOM 0 HA GLU A 42 9.336 -13.849 -9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.672 -13.585 -12.720 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.692 -12.455 -11.808 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.742 -11.902 -10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.586 -12.810 -11.827 1.00 0.00 H new ATOM 695 N GLY A 43 7.130 -14.927 -9.763 1.00 0.00 N ATOM 696 CA GLY A 43 5.812 -15.548 -9.756 1.00 0.00 C ATOM 697 C GLY A 43 5.255 -15.598 -8.338 1.00 0.00 C ATOM 698 O GLY A 43 4.177 -15.074 -8.060 1.00 0.00 O ATOM 0 H GLY A 43 7.514 -14.739 -8.837 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.135 -14.986 -10.400 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.876 -16.557 -10.164 1.00 0.00 H new ATOM 702 N HIS A 44 5.919 -16.383 -7.493 1.00 0.00 N ATOM 703 CA HIS A 44 5.406 -16.671 -6.160 1.00 0.00 C ATOM 704 C HIS A 44 6.256 -15.979 -5.102 1.00 0.00 C ATOM 705 O HIS A 44 7.240 -15.310 -5.409 1.00 0.00 O ATOM 706 CB HIS A 44 5.336 -18.187 -5.839 1.00 0.00 C ATOM 707 CG HIS A 44 6.681 -18.849 -5.914 1.00 0.00 C ATOM 708 ND1 HIS A 44 7.120 -19.586 -6.984 1.00 0.00 N ATOM 709 CD2 HIS A 44 7.735 -18.758 -5.064 1.00 0.00 C ATOM 710 CE1 HIS A 44 8.402 -19.874 -6.815 1.00 0.00 C ATOM 711 NE2 HIS A 44 8.813 -19.334 -5.687 1.00 0.00 N ATOM 0 H HIS A 44 6.811 -16.829 -7.709 1.00 0.00 H new ATOM 0 HA HIS A 44 4.386 -16.287 -6.144 1.00 0.00 H new ATOM 0 HB2 HIS A 44 4.921 -18.326 -4.841 1.00 0.00 H new ATOM 0 HB3 HIS A 44 4.655 -18.673 -6.538 1.00 0.00 H new ATOM 0 HD1 HIS A 44 6.551 -19.867 -7.782 1.00 0.00 H new ATOM 0 HD2 HIS A 44 7.727 -18.314 -4.079 1.00 0.00 H new ATOM 0 HE1 HIS A 44 9.010 -20.456 -7.492 1.00 0.00 H new ATOM 719 N GLN A 45 5.763 -16.017 -3.865 1.00 0.00 N ATOM 720 CA GLN A 45 6.496 -15.442 -2.745 1.00 0.00 C ATOM 721 C GLN A 45 6.923 -16.535 -1.772 1.00 0.00 C ATOM 722 O GLN A 45 6.480 -17.679 -1.868 1.00 0.00 O ATOM 723 CB GLN A 45 5.707 -14.343 -2.027 1.00 0.00 C ATOM 724 CG GLN A 45 6.581 -13.317 -1.333 1.00 0.00 C ATOM 725 CD GLN A 45 5.788 -12.263 -0.600 1.00 0.00 C ATOM 726 OE1 GLN A 45 5.558 -11.162 -1.091 1.00 0.00 O ATOM 727 NE2 GLN A 45 5.376 -12.610 0.617 1.00 0.00 N ATOM 0 H GLN A 45 4.867 -16.437 -3.617 1.00 0.00 H new ATOM 0 HA GLN A 45 7.387 -14.966 -3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.070 -13.834 -2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.048 -14.803 -1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.238 -13.826 -0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.220 -12.834 -2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.591 -13.537 0.983 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.845 -11.949 1.183 1.00 0.00 H new ATOM 736 N MET A 46 7.911 -16.207 -0.944 1.00 0.00 N ATOM 737 CA MET A 46 8.553 -17.202 -0.095 1.00 0.00 C ATOM 738 C MET A 46 7.540 -17.807 0.873 1.00 0.00 C ATOM 739 O MET A 46 7.471 -19.029 1.028 1.00 0.00 O ATOM 740 CB MET A 46 9.752 -16.604 0.639 1.00 0.00 C ATOM 741 CG MET A 46 10.477 -17.629 1.455 1.00 0.00 C ATOM 742 SD MET A 46 11.535 -18.640 0.362 1.00 0.00 S ATOM 743 CE MET A 46 11.500 -20.204 1.257 1.00 0.00 C ATOM 0 H MET A 46 8.283 -15.262 -0.844 1.00 0.00 H new ATOM 0 HA MET A 46 8.932 -18.006 -0.726 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.438 -16.165 -0.085 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.414 -15.796 1.288 1.00 0.00 H new ATOM 0 HG2 MET A 46 11.085 -17.140 2.216 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.763 -18.265 1.978 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.056 -20.956 0.697 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.955 -20.072 2.239 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.467 -20.532 1.377 1.00 0.00 H new ATOM 753 N LYS A 47 6.553 -16.986 1.235 1.00 0.00 N ATOM 754 CA LYS A 47 5.462 -17.440 2.084 1.00 0.00 C ATOM 755 C LYS A 47 4.687 -18.564 1.403 1.00 0.00 C ATOM 756 O LYS A 47 4.169 -19.464 2.066 1.00 0.00 O ATOM 757 CB LYS A 47 4.494 -16.304 2.422 1.00 0.00 C ATOM 758 CG LYS A 47 3.984 -16.333 3.863 1.00 0.00 C ATOM 759 CD LYS A 47 4.700 -15.349 4.769 1.00 0.00 C ATOM 760 CE LYS A 47 4.599 -13.938 4.350 1.00 0.00 C ATOM 761 NZ LYS A 47 3.229 -13.570 3.972 1.00 0.00 N ATOM 0 H LYS A 47 6.491 -16.008 0.952 1.00 0.00 H new ATOM 0 HA LYS A 47 5.909 -17.803 3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.991 -15.351 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.642 -16.352 1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.917 -16.112 3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.103 -17.340 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.296 -15.444 5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.754 -15.624 4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.936 -13.294 5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.267 -13.762 3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.155 -12.535 3.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.995 -14.000 3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.565 -13.914 4.695 1.00 0.00 H new ATOM 775 N ASP A 48 4.883 -18.664 0.089 1.00 0.00 N ATOM 776 CA ASP A 48 4.304 -19.751 -0.686 1.00 0.00 C ATOM 777 C ASP A 48 5.386 -20.742 -1.106 1.00 0.00 C ATOM 778 O ASP A 48 5.087 -21.862 -1.522 1.00 0.00 O ATOM 779 CB ASP A 48 3.453 -19.229 -1.842 1.00 0.00 C ATOM 780 CG ASP A 48 2.061 -18.803 -1.417 1.00 0.00 C ATOM 781 OD1 ASP A 48 1.959 -17.662 -0.917 1.00 0.00 O ATOM 782 OD2 ASP A 48 1.090 -19.559 -1.573 1.00 0.00 O ATOM 0 H ASP A 48 5.438 -18.005 -0.457 1.00 0.00 H new ATOM 0 HA ASP A 48 3.610 -20.306 -0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.960 -18.381 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.372 -20.005 -2.603 1.00 0.00 H new ATOM 787 N CYS A 49 6.594 -20.210 -1.284 1.00 0.00 N ATOM 788 CA CYS A 49 7.703 -20.997 -1.800 1.00 0.00 C ATOM 789 C CYS A 49 8.060 -22.117 -0.826 1.00 0.00 C ATOM 790 O CYS A 49 8.583 -21.865 0.260 1.00 0.00 O ATOM 791 CB CYS A 49 8.914 -20.115 -2.102 1.00 0.00 C ATOM 792 SG CYS A 49 10.104 -20.853 -3.248 1.00 0.00 S ATOM 0 H CYS A 49 6.826 -19.238 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 49 7.391 -21.452 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.566 -19.169 -2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.423 -19.884 -1.166 1.00 0.00 H new ATOM 797 N THR A 50 7.989 -23.348 -1.326 1.00 0.00 N ATOM 798 CA THR A 50 8.520 -24.496 -0.601 1.00 0.00 C ATOM 799 C THR A 50 9.342 -25.378 -1.530 1.00 0.00 C ATOM 800 O THR A 50 9.602 -26.546 -1.238 1.00 0.00 O ATOM 801 CB THR A 50 7.362 -25.331 0.090 1.00 0.00 C ATOM 802 OG1 THR A 50 8.028 -26.392 0.845 1.00 0.00 O ATOM 803 CG2 THR A 50 6.330 -25.884 -0.891 1.00 0.00 C ATOM 0 H THR A 50 7.570 -23.575 -2.228 1.00 0.00 H new ATOM 0 HA THR A 50 9.171 -24.122 0.189 1.00 0.00 H new ATOM 0 HB THR A 50 6.773 -24.683 0.739 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.690 -26.834 0.273 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.571 -26.443 -0.344 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.859 -25.060 -1.426 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.823 -26.545 -1.604 1.00 0.00 H new ATOM 811 N GLU A 51 9.905 -24.760 -2.566 1.00 0.00 N ATOM 812 CA GLU A 51 10.927 -25.391 -3.384 1.00 0.00 C ATOM 813 C GLU A 51 10.427 -26.697 -3.988 1.00 0.00 C ATOM 814 O GLU A 51 11.201 -27.628 -4.214 1.00 0.00 O ATOM 815 CB GLU A 51 12.165 -25.616 -2.505 1.00 0.00 C ATOM 816 CG GLU A 51 12.363 -26.736 -1.658 1.00 0.00 C ATOM 817 CD GLU A 51 13.725 -27.364 -1.660 1.00 0.00 C ATOM 818 OE1 GLU A 51 14.733 -26.810 -2.064 1.00 0.00 O ATOM 819 OE2 GLU A 51 13.728 -28.487 -1.111 1.00 0.00 O ATOM 0 H GLU A 51 9.664 -23.813 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 51 11.182 -24.744 -4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.021 -25.595 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.242 -24.737 -1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.132 -26.432 -0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.638 -27.501 -1.935 1.00 0.00 H new ATOM 826 N ARG A 52 9.104 -26.829 -4.046 1.00 0.00 N ATOM 827 CA ARG A 52 8.477 -28.098 -4.387 1.00 0.00 C ATOM 828 C ARG A 52 8.844 -29.166 -3.362 1.00 0.00 C ATOM 829 O ARG A 52 9.903 -29.788 -3.447 1.00 0.00 O ATOM 830 CB ARG A 52 8.875 -28.568 -5.792 1.00 0.00 C ATOM 831 CG ARG A 52 8.262 -29.897 -6.213 1.00 0.00 C ATOM 832 CD ARG A 52 6.774 -29.868 -6.131 1.00 0.00 C ATOM 833 NE ARG A 52 6.193 -28.888 -7.038 1.00 0.00 N ATOM 834 CZ ARG A 52 6.008 -29.116 -8.340 1.00 0.00 C ATOM 835 NH1 ARG A 52 6.534 -30.179 -8.940 1.00 0.00 N ATOM 836 NH2 ARG A 52 5.334 -28.225 -9.067 1.00 0.00 N ATOM 0 H ARG A 52 8.447 -26.071 -3.861 1.00 0.00 H new ATOM 0 HA ARG A 52 7.398 -27.941 -4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.584 -27.804 -6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.961 -28.653 -5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.566 -30.131 -7.233 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.646 -30.693 -5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.379 -30.857 -6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.472 -29.639 -5.109 1.00 0.00 H new ATOM 0 HE ARG A 52 5.914 -27.983 -6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.093 -30.842 -8.404 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.378 -30.331 -9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.967 -27.381 -8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.186 -28.387 -10.063 1.00 0.00 H new ATOM 850 N GLN A 53 7.870 -29.507 -2.523 1.00 0.00 N ATOM 851 CA GLN A 53 8.010 -30.636 -1.614 1.00 0.00 C ATOM 852 C GLN A 53 6.739 -31.478 -1.611 1.00 0.00 C ATOM 853 O GLN A 53 6.775 -32.681 -1.876 1.00 0.00 O ATOM 854 CB GLN A 53 8.389 -30.207 -0.194 1.00 0.00 C ATOM 855 CG GLN A 53 9.653 -30.865 0.325 1.00 0.00 C ATOM 856 CD GLN A 53 10.635 -29.880 0.911 1.00 0.00 C ATOM 857 OE1 GLN A 53 11.761 -29.729 0.445 1.00 0.00 O ATOM 858 NE2 GLN A 53 10.162 -29.136 1.909 1.00 0.00 N ATOM 0 H GLN A 53 6.978 -29.018 -2.455 1.00 0.00 H new ATOM 0 HA GLN A 53 8.835 -31.245 -1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.519 -29.125 -0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.565 -30.442 0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.387 -31.600 1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.134 -31.408 -0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.219 -29.298 2.264 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.742 -28.404 2.319 1.00 0.00 H new ATOM 867 N ALA A 54 5.602 -30.792 -1.530 1.00 0.00 N ATOM 868 CA ALA A 54 4.308 -31.435 -1.705 1.00 0.00 C ATOM 869 C ALA A 54 4.094 -32.500 -0.632 1.00 0.00 C ATOM 870 O ALA A 54 4.394 -33.676 -0.842 1.00 0.00 O ATOM 871 CB ALA A 54 4.197 -32.036 -3.103 1.00 0.00 C ATOM 0 H ALA A 54 5.553 -29.790 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 54 3.526 -30.684 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.224 -32.513 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.305 -31.247 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.983 -32.778 -3.244 1.00 0.00 H new ATOM 877 N ASN A 55 3.365 -32.115 0.412 1.00 0.00 N ATOM 878 CA ASN A 55 2.884 -33.072 1.399 1.00 0.00 C ATOM 879 C ASN A 55 4.059 -33.750 2.098 1.00 0.00 C ATOM 880 O ASN A 55 4.280 -34.953 1.895 1.00 0.00 O ATOM 881 CB ASN A 55 1.871 -34.042 0.796 1.00 0.00 C ATOM 882 CG ASN A 55 0.607 -33.362 0.305 1.00 0.00 C ATOM 883 OD1 ASN A 55 0.607 -32.708 -0.748 1.00 0.00 O ATOM 884 ND2 ASN A 55 -0.481 -33.523 1.058 1.00 0.00 N ATOM 885 OXT ASN A 55 4.654 -33.156 3.009 1.00 0.00 O ATOM 0 H ASN A 55 3.096 -31.148 0.595 1.00 0.00 H new ATOM 0 HA ASN A 55 2.333 -32.539 2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.336 -34.572 -0.035 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.606 -34.790 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.364 -33.098 0.775 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.430 -34.071 1.917 1.00 0.00 H new TER 892 ASN A 55 HETATM 893 ZN ZN A 56 2.621 5.234 -0.356 1.00 0.00 ZN HETATM 894 ZN ZN A 57 10.646 -19.306 -4.863 1.00 0.00 ZN