USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=8 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 -130:sc= -0.0155 (180deg=-0.206) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.209 (180deg=0.156) USER MOD Single : A 2 GLN : amide:sc= -0.0346 X(o=-0.035,f=-0.23) USER MOD Single : A 5 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 8 ASN : amide:sc= -0.488 K(o=-0.49,f=-1.3) USER MOD Single : A 9 GLN : amide:sc= -1.1 K(o=-1.1,f=-6.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 146:sc= -1.15 (180deg=-2.75!) USER MOD Single : A 17 ASN : amide:sc= -0.0826 X(o=-0.083,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc=-0.000302 (180deg=-0.0577) USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= -0.0957 (180deg=-0.756) USER MOD Single : A 27 ASN : amide:sc= -0.391 X(o=-0.39,f=-0.37) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -135:sc= -0.189 (180deg=-1.68) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.86 K(o=-1.9,f=-4.1!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0557 USER MOD Single : A 53 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.12) USER MOD Single : A 55 ASN : amide:sc= -0.659 K(o=-0.66,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -38.257 -3.497 -7.902 1.00 0.00 N ATOM 2 CA MET A 1 -37.357 -3.783 -6.771 1.00 0.00 C ATOM 3 C MET A 1 -37.073 -5.275 -6.700 1.00 0.00 C ATOM 4 O MET A 1 -37.938 -6.074 -6.340 1.00 0.00 O ATOM 5 CB MET A 1 -37.947 -3.242 -5.473 1.00 0.00 C ATOM 6 CG MET A 1 -37.404 -1.889 -5.130 1.00 0.00 C ATOM 7 SD MET A 1 -38.243 -0.622 -6.144 1.00 0.00 S ATOM 8 CE MET A 1 -39.794 -0.476 -5.237 1.00 0.00 C ATOM 0 H1 MET A 1 -38.622 -2.527 -7.818 1.00 0.00 H new ATOM 0 H2 MET A 1 -37.734 -3.594 -8.795 1.00 0.00 H new ATOM 0 H3 MET A 1 -39.052 -4.168 -7.892 1.00 0.00 H new ATOM 0 HA MET A 1 -36.405 -3.275 -6.924 1.00 0.00 H new ATOM 0 HB2 MET A 1 -39.032 -3.185 -5.564 1.00 0.00 H new ATOM 0 HB3 MET A 1 -37.732 -3.936 -4.660 1.00 0.00 H new ATOM 0 HG2 MET A 1 -37.556 -1.682 -4.071 1.00 0.00 H new ATOM 0 HG3 MET A 1 -36.329 -1.860 -5.309 1.00 0.00 H new ATOM 0 HE1 MET A 1 -40.630 -0.557 -5.931 1.00 0.00 H new ATOM 0 HE2 MET A 1 -39.859 -1.273 -4.496 1.00 0.00 H new ATOM 0 HE3 MET A 1 -39.832 0.491 -4.735 1.00 0.00 H new ATOM 20 N GLN A 2 -35.889 -5.657 -7.174 1.00 0.00 N ATOM 21 CA GLN A 2 -35.553 -7.065 -7.337 1.00 0.00 C ATOM 22 C GLN A 2 -34.045 -7.236 -7.488 1.00 0.00 C ATOM 23 O GLN A 2 -33.567 -8.296 -7.895 1.00 0.00 O ATOM 24 CB GLN A 2 -36.301 -7.719 -8.501 1.00 0.00 C ATOM 25 CG GLN A 2 -35.886 -7.199 -9.863 1.00 0.00 C ATOM 26 CD GLN A 2 -37.037 -7.097 -10.834 1.00 0.00 C ATOM 27 OE1 GLN A 2 -38.104 -6.573 -10.525 1.00 0.00 O ATOM 28 NE2 GLN A 2 -36.805 -7.604 -12.042 1.00 0.00 N ATOM 0 H GLN A 2 -35.150 -5.011 -7.451 1.00 0.00 H new ATOM 0 HA GLN A 2 -35.878 -7.581 -6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -36.136 -8.796 -8.468 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -37.371 -7.556 -8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -35.429 -6.216 -9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -35.124 -7.858 -10.280 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -35.902 -8.030 -12.252 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -37.530 -7.567 -12.758 1.00 0.00 H new ATOM 37 N ARG A 3 -33.306 -6.270 -6.950 1.00 0.00 N ATOM 38 CA ARG A 3 -31.861 -6.403 -6.814 1.00 0.00 C ATOM 39 C ARG A 3 -31.420 -5.989 -5.414 1.00 0.00 C ATOM 40 O ARG A 3 -31.521 -4.821 -5.038 1.00 0.00 O ATOM 41 CB ARG A 3 -31.114 -5.567 -7.862 1.00 0.00 C ATOM 42 CG ARG A 3 -31.782 -5.521 -9.229 1.00 0.00 C ATOM 43 CD ARG A 3 -31.018 -6.304 -10.242 1.00 0.00 C ATOM 44 NE ARG A 3 -31.347 -7.722 -10.201 1.00 0.00 N ATOM 45 CZ ARG A 3 -31.123 -8.555 -11.219 1.00 0.00 C ATOM 46 NH1 ARG A 3 -30.762 -8.106 -12.418 1.00 0.00 N ATOM 47 NH2 ARG A 3 -31.317 -9.862 -11.046 1.00 0.00 N ATOM 0 H ARG A 3 -33.684 -5.389 -6.602 1.00 0.00 H new ATOM 0 HA ARG A 3 -31.612 -7.451 -6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -31.010 -4.548 -7.488 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -30.107 -5.968 -7.977 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -32.795 -5.915 -9.152 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -31.867 -4.485 -9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -31.229 -5.912 -11.237 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -29.950 -6.175 -10.069 1.00 0.00 H new ATOM 0 HE ARG A 3 -31.770 -8.097 -9.352 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -30.651 -7.104 -12.575 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -30.597 -8.763 -13.180 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -31.633 -10.216 -10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -31.149 -10.509 -11.817 1.00 0.00 H new ATOM 61 N GLY A 4 -30.738 -6.910 -4.737 1.00 0.00 N ATOM 62 CA GLY A 4 -30.069 -6.593 -3.482 1.00 0.00 C ATOM 63 C GLY A 4 -28.647 -7.141 -3.483 1.00 0.00 C ATOM 64 O GLY A 4 -28.109 -7.504 -4.530 1.00 0.00 O ATOM 0 H GLY A 4 -30.635 -7.879 -5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -30.049 -5.513 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.628 -7.017 -2.648 1.00 0.00 H new ATOM 68 N ASN A 5 -27.980 -6.999 -2.340 1.00 0.00 N ATOM 69 CA ASN A 5 -26.550 -7.262 -2.255 1.00 0.00 C ATOM 70 C ASN A 5 -26.083 -7.191 -0.805 1.00 0.00 C ATOM 71 O ASN A 5 -25.965 -6.106 -0.232 1.00 0.00 O ATOM 72 CB ASN A 5 -25.757 -6.376 -3.212 1.00 0.00 C ATOM 73 CG ASN A 5 -24.256 -6.563 -3.100 1.00 0.00 C ATOM 74 OD1 ASN A 5 -23.835 -7.789 -2.792 1.00 0.00 O flip ATOM 75 ND2 ASN A 5 -23.483 -5.610 -3.278 1.00 0.00 N flip ATOM 0 H ASN A 5 -28.408 -6.704 -1.463 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.353 -8.280 -2.590 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -26.067 -6.590 -4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -26.001 -5.332 -3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -23.854 -4.689 -3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -22.476 -5.747 -3.190 1.00 0.00 H new ATOM 82 N PHE A 6 -25.606 -8.328 -0.304 1.00 0.00 N ATOM 83 CA PHE A 6 -24.907 -8.363 0.975 1.00 0.00 C ATOM 84 C PHE A 6 -24.398 -9.771 1.262 1.00 0.00 C ATOM 85 O PHE A 6 -25.098 -10.587 1.863 1.00 0.00 O ATOM 86 CB PHE A 6 -25.774 -7.887 2.168 1.00 0.00 C ATOM 87 CG PHE A 6 -27.233 -8.186 1.971 1.00 0.00 C ATOM 88 CD1 PHE A 6 -27.701 -9.417 2.436 1.00 0.00 C ATOM 89 CD2 PHE A 6 -28.129 -7.285 1.397 1.00 0.00 C ATOM 90 CE1 PHE A 6 -29.029 -9.781 2.276 1.00 0.00 C ATOM 91 CE2 PHE A 6 -29.473 -7.631 1.225 1.00 0.00 C ATOM 92 CZ PHE A 6 -29.908 -8.902 1.640 1.00 0.00 C ATOM 0 H PHE A 6 -25.691 -9.234 -0.764 1.00 0.00 H new ATOM 0 HA PHE A 6 -24.076 -7.664 0.880 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -25.427 -8.370 3.081 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -25.641 -6.814 2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -27.019 -10.095 2.927 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -27.782 -6.312 1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -29.380 -10.735 2.640 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -30.166 -6.933 0.780 1.00 0.00 H new ATOM 0 HZ PHE A 6 -30.931 -9.201 1.465 1.00 0.00 H new ATOM 102 N ARG A 7 -23.107 -9.973 1.012 1.00 0.00 N ATOM 103 CA ARG A 7 -22.424 -11.181 1.458 1.00 0.00 C ATOM 104 C ARG A 7 -20.912 -10.998 1.368 1.00 0.00 C ATOM 105 O ARG A 7 -20.425 -9.901 1.090 1.00 0.00 O ATOM 106 CB ARG A 7 -22.850 -12.407 0.641 1.00 0.00 C ATOM 107 CG ARG A 7 -23.902 -13.281 1.309 1.00 0.00 C ATOM 108 CD ARG A 7 -25.240 -13.117 0.672 1.00 0.00 C ATOM 109 NE ARG A 7 -26.322 -13.184 1.643 1.00 0.00 N ATOM 110 CZ ARG A 7 -27.608 -13.278 1.300 1.00 0.00 C ATOM 111 NH1 ARG A 7 -27.977 -13.515 0.045 1.00 0.00 N ATOM 112 NH2 ARG A 7 -28.543 -13.186 2.246 1.00 0.00 N ATOM 0 H ARG A 7 -22.515 -9.316 0.504 1.00 0.00 H new ATOM 0 HA ARG A 7 -22.707 -11.354 2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -23.235 -12.070 -0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -21.969 -13.015 0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -23.597 -14.326 1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -23.969 -13.026 2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -25.279 -12.159 0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -25.380 -13.893 -0.080 1.00 0.00 H new ATOM 0 HE ARG A 7 -26.086 -13.158 2.635 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -27.270 -13.630 -0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -28.967 -13.582 -0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -28.272 -13.045 3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -29.530 -13.256 1.997 1.00 0.00 H new ATOM 126 N ASN A 8 -20.187 -12.015 1.827 1.00 0.00 N ATOM 127 CA ASN A 8 -18.753 -11.885 2.058 1.00 0.00 C ATOM 128 C ASN A 8 -18.006 -13.060 1.434 1.00 0.00 C ATOM 129 O ASN A 8 -18.560 -14.149 1.278 1.00 0.00 O ATOM 130 CB ASN A 8 -18.440 -11.657 3.535 1.00 0.00 C ATOM 131 CG ASN A 8 -19.116 -10.426 4.108 1.00 0.00 C ATOM 132 OD1 ASN A 8 -19.325 -9.430 3.400 1.00 0.00 O ATOM 133 ND2 ASN A 8 -19.502 -10.503 5.381 1.00 0.00 N ATOM 0 H ASN A 8 -20.569 -12.935 2.045 1.00 0.00 H new ATOM 0 HA ASN A 8 -18.389 -10.990 1.554 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -18.752 -12.533 4.105 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.361 -11.562 3.660 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -19.993 -9.720 5.813 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -19.307 -11.345 5.923 1.00 0.00 H new ATOM 140 N GLN A 9 -16.695 -12.889 1.291 1.00 0.00 N ATOM 141 CA GLN A 9 -15.814 -14.001 0.952 1.00 0.00 C ATOM 142 C GLN A 9 -15.090 -14.502 2.197 1.00 0.00 C ATOM 143 O GLN A 9 -15.347 -14.037 3.308 1.00 0.00 O ATOM 144 CB GLN A 9 -14.823 -13.648 -0.159 1.00 0.00 C ATOM 145 CG GLN A 9 -15.360 -12.644 -1.161 1.00 0.00 C ATOM 146 CD GLN A 9 -16.607 -13.121 -1.865 1.00 0.00 C ATOM 147 OE1 GLN A 9 -17.285 -14.048 -1.430 1.00 0.00 O ATOM 148 NE2 GLN A 9 -16.978 -12.389 -2.914 1.00 0.00 N ATOM 0 H GLN A 9 -16.221 -11.993 1.404 1.00 0.00 H new ATOM 0 HA GLN A 9 -16.440 -14.804 0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -13.914 -13.248 0.291 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -14.543 -14.560 -0.687 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -15.575 -11.707 -0.648 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -14.590 -12.432 -1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -16.383 -11.628 -3.241 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -17.857 -12.589 -3.390 1.00 0.00 H new ATOM 157 N ARG A 10 -14.050 -15.299 1.969 1.00 0.00 N ATOM 158 CA ARG A 10 -13.133 -15.678 3.036 1.00 0.00 C ATOM 159 C ARG A 10 -11.688 -15.452 2.602 1.00 0.00 C ATOM 160 O ARG A 10 -11.150 -14.353 2.754 1.00 0.00 O ATOM 161 CB ARG A 10 -13.330 -17.138 3.463 1.00 0.00 C ATOM 162 CG ARG A 10 -14.658 -17.423 4.150 1.00 0.00 C ATOM 163 CD ARG A 10 -14.859 -18.884 4.372 1.00 0.00 C ATOM 164 NE ARG A 10 -15.761 -19.469 3.390 1.00 0.00 N ATOM 165 CZ ARG A 10 -17.061 -19.667 3.618 1.00 0.00 C ATOM 166 NH1 ARG A 10 -17.666 -19.156 4.686 1.00 0.00 N ATOM 167 NH2 ARG A 10 -17.783 -20.342 2.723 1.00 0.00 N ATOM 0 H ARG A 10 -13.823 -15.694 1.056 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.353 -15.045 3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.247 -17.775 2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.520 -17.418 4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.693 -16.901 5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.474 -17.031 3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.896 -19.393 4.327 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.259 -19.046 5.373 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.381 -19.741 2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.135 -18.598 5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.661 -19.322 4.837 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.341 -20.700 1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.778 -20.500 2.885 1.00 0.00 H new ATOM 181 N LYS A 11 -11.162 -16.413 1.849 1.00 0.00 N ATOM 182 CA LYS A 11 -9.887 -16.236 1.165 1.00 0.00 C ATOM 183 C LYS A 11 -8.770 -15.997 2.172 1.00 0.00 C ATOM 184 O LYS A 11 -8.609 -14.901 2.703 1.00 0.00 O ATOM 185 CB LYS A 11 -9.931 -15.065 0.180 1.00 0.00 C ATOM 186 CG LYS A 11 -8.914 -15.173 -0.956 1.00 0.00 C ATOM 187 CD LYS A 11 -9.087 -16.425 -1.795 1.00 0.00 C ATOM 188 CE LYS A 11 -10.384 -16.528 -2.489 1.00 0.00 C ATOM 189 NZ LYS A 11 -10.685 -17.908 -2.894 1.00 0.00 N ATOM 0 H LYS A 11 -11.599 -17.322 1.697 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.693 -17.152 0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.932 -14.999 -0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.755 -14.138 0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.003 -14.297 -1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.908 -15.160 -0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.289 -16.462 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.964 -17.297 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.175 -16.162 -1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.376 -15.886 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.605 -17.935 -3.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.944 -18.250 -3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.719 -18.517 -2.052 1.00 0.00 H new ATOM 203 N ILE A 12 -7.923 -17.012 2.336 1.00 0.00 N ATOM 204 CA ILE A 12 -6.886 -16.967 3.359 1.00 0.00 C ATOM 205 C ILE A 12 -5.744 -17.914 3.001 1.00 0.00 C ATOM 206 O ILE A 12 -5.866 -19.132 3.139 1.00 0.00 O ATOM 207 CB ILE A 12 -7.501 -17.299 4.772 1.00 0.00 C ATOM 208 CG1 ILE A 12 -6.405 -17.133 5.856 1.00 0.00 C ATOM 209 CG2 ILE A 12 -8.167 -18.690 4.821 1.00 0.00 C ATOM 210 CD1 ILE A 12 -5.413 -18.317 5.956 1.00 0.00 C ATOM 0 H ILE A 12 -7.935 -17.866 1.779 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.473 -15.959 3.406 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.306 -16.592 4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.843 -16.222 5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.887 -16.998 6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.573 -18.864 5.818 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.973 -18.734 4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.426 -19.456 4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.682 -18.114 6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.959 -19.230 6.196 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.898 -18.442 5.003 1.00 0.00 H new ATOM 222 N ILE A 13 -4.561 -17.325 2.832 1.00 0.00 N ATOM 223 CA ILE A 13 -3.340 -18.099 2.661 1.00 0.00 C ATOM 224 C ILE A 13 -2.130 -17.174 2.574 1.00 0.00 C ATOM 225 O ILE A 13 -1.525 -17.015 1.514 1.00 0.00 O ATOM 226 CB ILE A 13 -3.460 -19.034 1.399 1.00 0.00 C ATOM 227 CG1 ILE A 13 -2.260 -20.015 1.378 1.00 0.00 C ATOM 228 CG2 ILE A 13 -3.592 -18.244 0.080 1.00 0.00 C ATOM 229 CD1 ILE A 13 -2.491 -21.291 0.532 1.00 0.00 C ATOM 0 H ILE A 13 -4.426 -16.314 2.810 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.197 -18.739 3.532 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.385 -19.605 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.385 -19.491 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.029 -20.310 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.671 -18.940 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.485 -17.620 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.714 -17.613 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.602 -21.920 0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.344 -21.841 0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.690 -21.011 -0.502 1.00 0.00 H new ATOM 241 N LYS A 14 -1.976 -16.350 3.609 1.00 0.00 N ATOM 242 CA LYS A 14 -0.958 -15.320 3.642 1.00 0.00 C ATOM 243 C LYS A 14 -1.063 -14.379 2.448 1.00 0.00 C ATOM 244 O LYS A 14 -2.014 -14.469 1.661 1.00 0.00 O ATOM 245 CB LYS A 14 0.455 -15.869 3.765 1.00 0.00 C ATOM 246 CG LYS A 14 1.040 -16.506 2.511 1.00 0.00 C ATOM 247 CD LYS A 14 0.916 -18.017 2.484 1.00 0.00 C ATOM 248 CE LYS A 14 0.963 -18.619 1.138 1.00 0.00 C ATOM 249 NZ LYS A 14 0.867 -20.084 1.185 1.00 0.00 N ATOM 0 H LYS A 14 -2.558 -16.384 4.446 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.155 -14.751 4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.112 -15.057 4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.466 -16.611 4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.539 -16.093 1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.093 -16.235 2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.719 -18.444 3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.023 -18.299 2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.147 -18.222 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.892 -18.332 0.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.348 -20.425 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.823 -20.495 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.363 -20.371 2.048 1.00 0.00 H new ATOM 263 N CYS A 15 -0.254 -13.320 2.485 1.00 0.00 N ATOM 264 CA CYS A 15 -0.481 -12.167 1.607 1.00 0.00 C ATOM 265 C CYS A 15 0.613 -12.089 0.550 1.00 0.00 C ATOM 266 O CYS A 15 1.716 -11.597 0.824 1.00 0.00 O ATOM 267 CB CYS A 15 -0.561 -10.886 2.438 1.00 0.00 C ATOM 268 SG CYS A 15 -1.183 -9.448 1.547 1.00 0.00 S ATOM 0 H CYS A 15 0.553 -13.234 3.103 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.432 -12.286 1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.203 -11.068 3.300 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.433 -10.656 2.823 1.00 0.00 H new ATOM 273 N PHE A 16 0.175 -12.144 -0.714 1.00 0.00 N ATOM 274 CA PHE A 16 1.095 -12.077 -1.834 1.00 0.00 C ATOM 275 C PHE A 16 1.676 -10.678 -2.007 1.00 0.00 C ATOM 276 O PHE A 16 2.528 -10.464 -2.882 1.00 0.00 O ATOM 277 CB PHE A 16 0.458 -12.518 -3.182 1.00 0.00 C ATOM 278 CG PHE A 16 0.411 -14.012 -3.325 1.00 0.00 C ATOM 279 CD1 PHE A 16 1.620 -14.704 -3.219 1.00 0.00 C ATOM 280 CD2 PHE A 16 -0.768 -14.724 -3.549 1.00 0.00 C ATOM 281 CE1 PHE A 16 1.658 -16.088 -3.285 1.00 0.00 C ATOM 282 CE2 PHE A 16 -0.751 -16.120 -3.626 1.00 0.00 C ATOM 283 CZ PHE A 16 0.471 -16.798 -3.476 1.00 0.00 C ATOM 0 H PHE A 16 -0.807 -12.234 -0.976 1.00 0.00 H new ATOM 0 HA PHE A 16 1.889 -12.781 -1.584 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.553 -12.116 -3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.029 -12.093 -4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.539 -14.152 -3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.701 -14.193 -3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.597 -16.612 -3.190 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.664 -16.670 -3.798 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.492 -17.877 -3.509 1.00 0.00 H new ATOM 293 N ASN A 17 1.022 -9.693 -1.406 1.00 0.00 N ATOM 294 CA ASN A 17 1.114 -8.305 -1.875 1.00 0.00 C ATOM 295 C ASN A 17 2.234 -7.583 -1.141 1.00 0.00 C ATOM 296 O ASN A 17 3.162 -7.056 -1.754 1.00 0.00 O ATOM 297 CB ASN A 17 -0.251 -7.623 -1.763 1.00 0.00 C ATOM 298 CG ASN A 17 -0.301 -6.265 -2.430 1.00 0.00 C ATOM 299 OD1 ASN A 17 -0.603 -6.160 -3.631 1.00 0.00 O ATOM 300 ND2 ASN A 17 0.188 -5.244 -1.720 1.00 0.00 N ATOM 0 H ASN A 17 0.421 -9.823 -0.592 1.00 0.00 H new ATOM 0 HA ASN A 17 1.378 -8.275 -2.932 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.008 -8.267 -2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.508 -7.512 -0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.326 -4.335 -2.162 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.423 -5.373 -0.736 1.00 0.00 H new ATOM 307 N CYS A 18 2.203 -7.680 0.189 1.00 0.00 N ATOM 308 CA CYS A 18 3.324 -7.229 1.003 1.00 0.00 C ATOM 309 C CYS A 18 4.309 -8.371 1.235 1.00 0.00 C ATOM 310 O CYS A 18 5.487 -8.143 1.513 1.00 0.00 O ATOM 311 CB CYS A 18 2.859 -6.605 2.313 1.00 0.00 C ATOM 312 SG CYS A 18 1.790 -7.658 3.320 1.00 0.00 S ATOM 0 H CYS A 18 1.420 -8.064 0.718 1.00 0.00 H new ATOM 0 HA CYS A 18 3.844 -6.444 0.454 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.736 -6.334 2.901 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.327 -5.680 2.089 1.00 0.00 H new ATOM 317 N GLY A 19 3.743 -9.563 1.435 1.00 0.00 N ATOM 318 CA GLY A 19 4.548 -10.740 1.732 1.00 0.00 C ATOM 319 C GLY A 19 4.124 -11.360 3.056 1.00 0.00 C ATOM 320 O GLY A 19 4.282 -12.559 3.281 1.00 0.00 O ATOM 0 H GLY A 19 2.738 -9.734 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.441 -11.472 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.602 -10.465 1.774 1.00 0.00 H new ATOM 324 N LYS A 20 3.761 -10.493 3.999 1.00 0.00 N ATOM 325 CA LYS A 20 3.324 -10.938 5.314 1.00 0.00 C ATOM 326 C LYS A 20 2.068 -11.800 5.195 1.00 0.00 C ATOM 327 O LYS A 20 1.635 -12.128 4.089 1.00 0.00 O ATOM 328 CB LYS A 20 3.033 -9.762 6.247 1.00 0.00 C ATOM 329 CG LYS A 20 4.213 -9.373 7.140 1.00 0.00 C ATOM 330 CD LYS A 20 3.944 -8.137 7.976 1.00 0.00 C ATOM 331 CE LYS A 20 3.546 -8.409 9.370 1.00 0.00 C ATOM 332 NZ LYS A 20 2.281 -9.151 9.449 1.00 0.00 N ATOM 0 H LYS A 20 3.762 -9.481 3.874 1.00 0.00 H new ATOM 0 HA LYS A 20 4.140 -11.523 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.743 -8.899 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.180 -10.013 6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.451 -10.207 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.090 -9.199 6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.841 -7.518 7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.158 -7.554 7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.332 -8.979 9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.447 -7.467 9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.996 -9.246 10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.544 -8.637 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.406 -10.096 9.033 1.00 0.00 H new ATOM 346 N GLU A 21 1.645 -12.355 6.329 1.00 0.00 N ATOM 347 CA GLU A 21 0.707 -13.475 6.322 1.00 0.00 C ATOM 348 C GLU A 21 -0.568 -13.107 7.070 1.00 0.00 C ATOM 349 O GLU A 21 -1.592 -13.783 6.943 1.00 0.00 O ATOM 350 CB GLU A 21 1.416 -14.667 6.978 1.00 0.00 C ATOM 351 CG GLU A 21 1.496 -14.889 8.377 1.00 0.00 C ATOM 352 CD GLU A 21 1.191 -16.272 8.869 1.00 0.00 C ATOM 353 OE1 GLU A 21 -0.025 -16.430 9.110 1.00 0.00 O ATOM 354 OE2 GLU A 21 2.025 -17.149 9.006 1.00 0.00 O ATOM 0 H GLU A 21 1.935 -12.050 7.258 1.00 0.00 H new ATOM 0 HA GLU A 21 0.412 -13.730 5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.954 -15.560 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.445 -14.640 6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.503 -14.628 8.704 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.812 -14.197 8.869 1.00 0.00 H new ATOM 361 N GLY A 22 -0.437 -12.171 8.007 1.00 0.00 N ATOM 362 CA GLY A 22 -1.473 -11.942 9.008 1.00 0.00 C ATOM 363 C GLY A 22 -2.778 -11.529 8.344 1.00 0.00 C ATOM 364 O GLY A 22 -3.867 -11.767 8.864 1.00 0.00 O ATOM 0 H GLY A 22 0.375 -11.560 8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.628 -12.849 9.593 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.150 -11.166 9.702 1.00 0.00 H new ATOM 368 N HIS A 23 -2.655 -10.965 7.147 1.00 0.00 N ATOM 369 CA HIS A 23 -3.819 -10.552 6.374 1.00 0.00 C ATOM 370 C HIS A 23 -3.714 -11.072 4.945 1.00 0.00 C ATOM 371 O HIS A 23 -2.844 -11.886 4.630 1.00 0.00 O ATOM 372 CB HIS A 23 -4.019 -9.014 6.339 1.00 0.00 C ATOM 373 CG HIS A 23 -2.843 -8.307 5.718 1.00 0.00 C ATOM 374 ND1 HIS A 23 -1.687 -8.008 6.395 1.00 0.00 N ATOM 375 CD2 HIS A 23 -2.563 -8.119 4.402 1.00 0.00 C ATOM 376 CE1 HIS A 23 -0.757 -7.639 5.526 1.00 0.00 C ATOM 377 NE2 HIS A 23 -1.243 -7.756 4.309 1.00 0.00 N ATOM 0 H HIS A 23 -1.760 -10.784 6.692 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.685 -10.982 6.877 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.922 -8.778 5.776 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.170 -8.645 7.353 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -1.563 -8.061 7.406 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.253 -8.234 3.579 1.00 0.00 H new ATOM 0 HE1 HIS A 23 0.237 -7.298 5.776 1.00 0.00 H new ATOM 385 N ILE A 24 -4.744 -10.778 4.155 1.00 0.00 N ATOM 386 CA ILE A 24 -4.828 -11.277 2.795 1.00 0.00 C ATOM 387 C ILE A 24 -4.853 -10.124 1.796 1.00 0.00 C ATOM 388 O ILE A 24 -5.021 -8.963 2.166 1.00 0.00 O ATOM 389 CB ILE A 24 -6.091 -12.213 2.630 1.00 0.00 C ATOM 390 CG1 ILE A 24 -7.357 -11.434 3.050 1.00 0.00 C ATOM 391 CG2 ILE A 24 -5.934 -13.558 3.367 1.00 0.00 C ATOM 392 CD1 ILE A 24 -7.649 -11.418 4.570 1.00 0.00 C ATOM 0 H ILE A 24 -5.531 -10.195 4.439 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.939 -11.872 2.586 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.191 -12.488 1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.262 -10.405 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.216 -11.865 2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.830 -14.160 3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.069 -14.091 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.791 -13.375 4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.557 -10.846 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.782 -12.440 4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.813 -10.957 5.096 1.00 0.00 H new ATOM 404 N ALA A 25 -4.596 -10.449 0.533 1.00 0.00 N ATOM 405 CA ALA A 25 -4.157 -9.422 -0.428 1.00 0.00 C ATOM 406 C ALA A 25 -5.360 -8.746 -1.060 1.00 0.00 C ATOM 407 O ALA A 25 -5.332 -7.547 -1.356 1.00 0.00 O ATOM 408 CB ALA A 25 -3.281 -10.109 -1.481 1.00 0.00 C ATOM 0 H ALA A 25 -4.679 -11.390 0.149 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.581 -8.644 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.940 -9.372 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.418 -10.565 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.860 -10.879 -1.990 1.00 0.00 H new ATOM 414 N LYS A 26 -6.485 -9.458 -1.072 1.00 0.00 N ATOM 415 CA LYS A 26 -7.778 -8.844 -1.356 1.00 0.00 C ATOM 416 C LYS A 26 -8.100 -7.775 -0.322 1.00 0.00 C ATOM 417 O LYS A 26 -8.873 -6.852 -0.571 1.00 0.00 O ATOM 418 CB LYS A 26 -8.904 -9.880 -1.374 1.00 0.00 C ATOM 419 CG LYS A 26 -10.274 -9.300 -1.727 1.00 0.00 C ATOM 420 CD LYS A 26 -10.896 -9.942 -2.952 1.00 0.00 C ATOM 421 CE LYS A 26 -12.348 -10.181 -2.855 1.00 0.00 C ATOM 422 NZ LYS A 26 -13.049 -9.067 -2.203 1.00 0.00 N ATOM 0 H LYS A 26 -6.526 -10.460 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.708 -8.391 -2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.655 -10.661 -2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.963 -10.355 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.945 -9.427 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.175 -8.228 -1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.704 -9.305 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.397 -10.893 -3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.758 -10.332 -3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.527 -11.099 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.032 -9.031 -2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.041 -9.208 -1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.571 -8.173 -2.434 1.00 0.00 H new ATOM 436 N ASN A 27 -7.538 -7.944 0.873 1.00 0.00 N ATOM 437 CA ASN A 27 -7.708 -6.975 1.940 1.00 0.00 C ATOM 438 C ASN A 27 -6.667 -5.863 1.856 1.00 0.00 C ATOM 439 O ASN A 27 -6.721 -4.901 2.634 1.00 0.00 O ATOM 440 CB ASN A 27 -7.779 -7.654 3.310 1.00 0.00 C ATOM 441 CG ASN A 27 -8.515 -6.828 4.348 1.00 0.00 C ATOM 442 OD1 ASN A 27 -8.689 -5.611 4.182 1.00 0.00 O ATOM 443 ND2 ASN A 27 -8.869 -7.464 5.464 1.00 0.00 N ATOM 0 H ASN A 27 -6.960 -8.747 1.122 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.673 -6.485 1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.274 -8.619 3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.767 -7.852 3.663 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.304 -6.948 6.229 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.705 -8.467 5.553 1.00 0.00 H new ATOM 450 N CYS A 28 -5.590 -6.123 1.127 1.00 0.00 N ATOM 451 CA CYS A 28 -4.320 -5.418 1.352 1.00 0.00 C ATOM 452 C CYS A 28 -4.253 -4.174 0.477 1.00 0.00 C ATOM 453 O CYS A 28 -4.051 -4.266 -0.737 1.00 0.00 O ATOM 454 CB CYS A 28 -3.156 -6.370 1.083 1.00 0.00 C ATOM 455 SG CYS A 28 -1.542 -5.770 1.620 1.00 0.00 S ATOM 0 H CYS A 28 -5.563 -6.813 0.376 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.253 -5.090 2.389 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.359 -7.318 1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.113 -6.575 0.013 1.00 0.00 H new ATOM 460 N ARG A 29 -4.146 -3.022 1.135 1.00 0.00 N ATOM 461 CA ARG A 29 -3.773 -1.783 0.457 1.00 0.00 C ATOM 462 C ARG A 29 -2.454 -1.261 1.009 1.00 0.00 C ATOM 463 O ARG A 29 -2.210 -0.054 1.083 1.00 0.00 O ATOM 464 CB ARG A 29 -4.874 -0.724 0.590 1.00 0.00 C ATOM 465 CG ARG A 29 -5.503 -0.632 1.973 1.00 0.00 C ATOM 466 CD ARG A 29 -6.871 -1.222 2.003 1.00 0.00 C ATOM 467 NE ARG A 29 -7.861 -0.284 2.515 1.00 0.00 N ATOM 468 CZ ARG A 29 -8.448 0.644 1.757 1.00 0.00 C ATOM 469 NH1 ARG A 29 -8.010 0.920 0.533 1.00 0.00 N ATOM 470 NH2 ARG A 29 -9.454 1.358 2.264 1.00 0.00 N ATOM 0 H ARG A 29 -4.312 -2.921 2.136 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.649 -1.998 -0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.457 0.249 0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.657 -0.940 -0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.870 -1.148 2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.552 0.413 2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.153 -1.533 0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.866 -2.118 2.624 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.118 -0.339 3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.208 0.418 0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.476 1.634 -0.027 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.766 1.192 3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.911 2.070 1.695 1.00 0.00 H new ATOM 484 N ALA A 30 -1.484 -2.170 1.073 1.00 0.00 N ATOM 485 CA ALA A 30 -0.209 -1.861 1.736 1.00 0.00 C ATOM 486 C ALA A 30 0.506 -0.735 1.019 1.00 0.00 C ATOM 487 O ALA A 30 0.495 -0.676 -0.216 1.00 0.00 O ATOM 488 CB ALA A 30 0.619 -3.156 1.724 1.00 0.00 C ATOM 0 H ALA A 30 -1.548 -3.111 0.684 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.366 -1.522 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.580 -2.978 2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.081 -3.937 2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.784 -3.473 0.694 1.00 0.00 H new ATOM 494 N PRO A 31 1.251 0.107 1.763 1.00 0.00 N ATOM 495 CA PRO A 31 2.301 0.901 1.133 1.00 0.00 C ATOM 496 C PRO A 31 3.572 0.070 1.012 1.00 0.00 C ATOM 497 O PRO A 31 3.669 -1.019 1.587 1.00 0.00 O ATOM 498 CB PRO A 31 2.246 2.089 2.094 1.00 0.00 C ATOM 499 CG PRO A 31 1.903 1.468 3.444 1.00 0.00 C ATOM 500 CD PRO A 31 1.244 0.144 3.217 1.00 0.00 C ATOM 0 HA PRO A 31 2.218 1.231 0.098 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.199 2.616 2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.492 2.814 1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.806 1.342 4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.240 2.127 4.004 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.803 -0.681 3.658 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.236 0.103 3.630 1.00 0.00 H new ATOM 508 N ARG A 32 4.633 0.713 0.525 1.00 0.00 N ATOM 509 CA ARG A 32 5.993 0.218 0.729 1.00 0.00 C ATOM 510 C ARG A 32 6.996 1.151 0.063 1.00 0.00 C ATOM 511 O ARG A 32 7.380 0.957 -1.090 1.00 0.00 O ATOM 512 CB ARG A 32 6.161 -1.210 0.201 1.00 0.00 C ATOM 513 CG ARG A 32 6.340 -2.268 1.283 1.00 0.00 C ATOM 514 CD ARG A 32 7.685 -2.180 1.919 1.00 0.00 C ATOM 515 NE ARG A 32 7.803 -1.027 2.800 1.00 0.00 N ATOM 516 CZ ARG A 32 7.025 -0.839 3.868 1.00 0.00 C ATOM 517 NH1 ARG A 32 6.205 -1.788 4.307 1.00 0.00 N ATOM 518 NH2 ARG A 32 7.096 0.317 4.530 1.00 0.00 N ATOM 0 H ARG A 32 4.576 1.578 -0.013 1.00 0.00 H new ATOM 0 HA ARG A 32 6.182 0.196 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.288 -1.467 -0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.024 -1.239 -0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.569 -2.146 2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.206 -3.259 0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.876 -3.090 2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.449 -2.122 1.143 1.00 0.00 H new ATOM 0 HE ARG A 32 8.516 -0.328 2.591 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.160 -2.686 3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.621 -1.619 5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.739 1.045 4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.507 0.473 5.348 1.00 0.00 H new ATOM 532 N LYS A 33 7.252 2.277 0.727 1.00 0.00 N ATOM 533 CA LYS A 33 8.140 3.294 0.187 1.00 0.00 C ATOM 534 C LYS A 33 8.319 4.434 1.184 1.00 0.00 C ATOM 535 O LYS A 33 7.707 4.441 2.253 1.00 0.00 O ATOM 536 CB LYS A 33 7.615 3.867 -1.132 1.00 0.00 C ATOM 537 CG LYS A 33 6.216 4.477 -1.029 1.00 0.00 C ATOM 538 CD LYS A 33 5.411 4.341 -2.307 1.00 0.00 C ATOM 539 CE LYS A 33 5.297 5.580 -3.100 1.00 0.00 C ATOM 540 NZ LYS A 33 3.916 5.838 -3.528 1.00 0.00 N ATOM 0 H LYS A 33 6.855 2.504 1.639 1.00 0.00 H new ATOM 0 HA LYS A 33 9.098 2.810 -0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.308 4.630 -1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.601 3.075 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.676 3.996 -0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.305 5.533 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.868 3.570 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.409 3.995 -2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.656 6.422 -2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.940 5.509 -3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.883 6.718 -4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.581 5.047 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.305 5.932 -2.692 1.00 0.00 H new ATOM 554 N ARG A 34 9.318 5.272 0.918 1.00 0.00 N ATOM 555 CA ARG A 34 9.750 6.273 1.883 1.00 0.00 C ATOM 556 C ARG A 34 10.906 7.094 1.315 1.00 0.00 C ATOM 557 O ARG A 34 11.611 6.643 0.410 1.00 0.00 O ATOM 558 CB ARG A 34 10.175 5.634 3.212 1.00 0.00 C ATOM 559 CG ARG A 34 11.206 4.523 3.079 1.00 0.00 C ATOM 560 CD ARG A 34 11.122 3.547 4.201 1.00 0.00 C ATOM 561 NE ARG A 34 10.956 2.179 3.727 1.00 0.00 N ATOM 562 CZ ARG A 34 11.525 1.127 4.318 1.00 0.00 C ATOM 563 NH1 ARG A 34 12.119 1.232 5.503 1.00 0.00 N ATOM 564 NH2 ARG A 34 11.448 -0.069 3.732 1.00 0.00 N ATOM 0 H ARG A 34 9.841 5.276 0.043 1.00 0.00 H new ATOM 0 HA ARG A 34 8.900 6.926 2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.579 6.411 3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.290 5.234 3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.058 4.002 2.133 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.205 4.957 3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.026 3.613 4.807 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.285 3.810 4.848 1.00 0.00 H new ATOM 0 HE ARG A 34 10.377 2.018 2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.147 2.132 5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.547 0.412 5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.959 -0.171 2.843 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.879 -0.882 4.173 1.00 0.00 H new ATOM 578 N GLY A 35 11.244 8.171 2.021 1.00 0.00 N ATOM 579 CA GLY A 35 12.511 8.859 1.805 1.00 0.00 C ATOM 580 C GLY A 35 12.283 10.358 1.645 1.00 0.00 C ATOM 581 O GLY A 35 11.144 10.829 1.683 1.00 0.00 O ATOM 0 H GLY A 35 10.658 8.584 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.180 8.674 2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.000 8.462 0.915 1.00 0.00 H new ATOM 585 N CYS A 36 13.330 11.049 1.199 1.00 0.00 N ATOM 586 CA CYS A 36 13.195 12.417 0.710 1.00 0.00 C ATOM 587 C CYS A 36 12.264 12.459 -0.495 1.00 0.00 C ATOM 588 O CYS A 36 12.390 11.679 -1.436 1.00 0.00 O ATOM 589 CB CYS A 36 14.561 13.019 0.388 1.00 0.00 C ATOM 590 SG CYS A 36 14.554 14.814 0.154 1.00 0.00 S ATOM 0 H CYS A 36 14.281 10.683 1.167 1.00 0.00 H new ATOM 0 HA CYS A 36 12.751 13.026 1.497 1.00 0.00 H new ATOM 0 HB2 CYS A 36 15.252 12.773 1.195 1.00 0.00 H new ATOM 0 HB3 CYS A 36 14.947 12.549 -0.516 1.00 0.00 H new ATOM 595 N TRP A 37 11.285 13.354 -0.411 1.00 0.00 N ATOM 596 CA TRP A 37 10.282 13.481 -1.465 1.00 0.00 C ATOM 597 C TRP A 37 10.896 14.114 -2.706 1.00 0.00 C ATOM 598 O TRP A 37 10.339 14.026 -3.803 1.00 0.00 O ATOM 599 CB TRP A 37 9.046 14.210 -0.944 1.00 0.00 C ATOM 600 CG TRP A 37 8.051 14.634 -1.964 1.00 0.00 C ATOM 601 CD1 TRP A 37 8.200 15.602 -2.921 1.00 0.00 C ATOM 602 CD2 TRP A 37 6.759 14.048 -2.194 1.00 0.00 C ATOM 603 NE1 TRP A 37 7.091 15.646 -3.733 1.00 0.00 N ATOM 604 CE2 TRP A 37 6.188 14.719 -3.298 1.00 0.00 C ATOM 605 CE3 TRP A 37 6.047 13.031 -1.566 1.00 0.00 C ATOM 606 CZ2 TRP A 37 4.931 14.395 -3.791 1.00 0.00 C ATOM 607 CZ3 TRP A 37 4.795 12.714 -2.051 1.00 0.00 C ATOM 608 CH2 TRP A 37 4.244 13.381 -3.142 1.00 0.00 C ATOM 0 H TRP A 37 11.164 13.999 0.370 1.00 0.00 H new ATOM 0 HA TRP A 37 9.938 12.492 -1.769 1.00 0.00 H new ATOM 0 HB2 TRP A 37 8.544 13.562 -0.226 1.00 0.00 H new ATOM 0 HB3 TRP A 37 9.375 15.095 -0.399 1.00 0.00 H new ATOM 0 HD1 TRP A 37 9.065 16.240 -3.024 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.964 16.269 -4.530 1.00 0.00 H new ATOM 0 HE3 TRP A 37 6.464 12.503 -0.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.508 14.909 -4.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.228 11.929 -1.573 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.260 13.102 -3.490 1.00 0.00 H new ATOM 619 N LYS A 38 11.858 15.006 -2.458 1.00 0.00 N ATOM 620 CA LYS A 38 12.512 15.723 -3.549 1.00 0.00 C ATOM 621 C LYS A 38 13.343 14.750 -4.385 1.00 0.00 C ATOM 622 O LYS A 38 13.205 14.696 -5.607 1.00 0.00 O ATOM 623 CB LYS A 38 13.437 16.822 -3.018 1.00 0.00 C ATOM 624 CG LYS A 38 14.046 17.700 -4.110 1.00 0.00 C ATOM 625 CD LYS A 38 13.488 19.110 -4.127 1.00 0.00 C ATOM 626 CE LYS A 38 13.544 19.814 -2.833 1.00 0.00 C ATOM 627 NZ LYS A 38 12.214 19.970 -2.230 1.00 0.00 N ATOM 0 H LYS A 38 12.196 15.245 -1.526 1.00 0.00 H new ATOM 0 HA LYS A 38 11.732 16.180 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.876 17.453 -2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.242 16.361 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.126 17.746 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.870 17.235 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.037 19.694 -4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.450 19.071 -4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.189 19.263 -2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.995 20.796 -2.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.106 20.941 -1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.484 19.781 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.109 19.298 -1.443 1.00 0.00 H new ATOM 641 N CYS A 39 14.379 14.202 -3.749 1.00 0.00 N ATOM 642 CA CYS A 39 15.423 13.490 -4.473 1.00 0.00 C ATOM 643 C CYS A 39 15.175 11.989 -4.441 1.00 0.00 C ATOM 644 O CYS A 39 15.638 11.244 -5.302 1.00 0.00 O ATOM 645 CB CYS A 39 16.812 13.863 -3.970 1.00 0.00 C ATOM 646 SG CYS A 39 17.105 13.567 -2.213 1.00 0.00 S ATOM 0 H CYS A 39 14.514 14.239 -2.739 1.00 0.00 H new ATOM 0 HA CYS A 39 15.384 13.801 -5.517 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.550 13.302 -4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 39 16.983 14.919 -4.177 1.00 0.00 H new ATOM 651 N GLY A 40 14.348 11.568 -3.486 1.00 0.00 N ATOM 652 CA GLY A 40 14.058 10.153 -3.305 1.00 0.00 C ATOM 653 C GLY A 40 14.877 9.584 -2.151 1.00 0.00 C ATOM 654 O GLY A 40 14.608 8.480 -1.672 1.00 0.00 O ATOM 0 H GLY A 40 13.870 12.186 -2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.995 10.016 -3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.284 9.609 -4.222 1.00 0.00 H new ATOM 658 N LYS A 41 16.007 10.231 -1.881 1.00 0.00 N ATOM 659 CA LYS A 41 17.019 9.663 -0.997 1.00 0.00 C ATOM 660 C LYS A 41 16.533 9.679 0.446 1.00 0.00 C ATOM 661 O LYS A 41 15.975 10.663 0.925 1.00 0.00 O ATOM 662 CB LYS A 41 18.343 10.424 -1.088 1.00 0.00 C ATOM 663 CG LYS A 41 19.471 9.806 -0.261 1.00 0.00 C ATOM 664 CD LYS A 41 19.857 8.415 -0.725 1.00 0.00 C ATOM 665 CE LYS A 41 21.025 8.365 -1.625 1.00 0.00 C ATOM 666 NZ LYS A 41 21.587 7.012 -1.726 1.00 0.00 N ATOM 0 H LYS A 41 16.244 11.147 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 41 17.188 8.636 -1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.654 10.469 -2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.184 11.451 -0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.346 10.454 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.165 9.762 0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.064 7.800 0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.004 7.967 -1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.733 8.711 -2.617 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.792 9.049 -1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.405 7.023 -2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.890 6.691 -0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.864 6.363 -2.097 1.00 0.00 H new ATOM 680 N GLU A 42 16.825 8.591 1.158 1.00 0.00 N ATOM 681 CA GLU A 42 16.308 8.415 2.509 1.00 0.00 C ATOM 682 C GLU A 42 17.360 8.808 3.538 1.00 0.00 C ATOM 683 O GLU A 42 17.475 8.202 4.600 1.00 0.00 O ATOM 684 CB GLU A 42 15.904 6.941 2.656 1.00 0.00 C ATOM 685 CG GLU A 42 16.813 5.875 2.877 1.00 0.00 C ATOM 686 CD GLU A 42 16.375 4.503 2.461 1.00 0.00 C ATOM 687 OE1 GLU A 42 16.209 4.415 1.225 1.00 0.00 O ATOM 688 OE2 GLU A 42 16.209 3.574 3.232 1.00 0.00 O ATOM 0 H GLU A 42 17.411 7.826 0.823 1.00 0.00 H new ATOM 0 HA GLU A 42 15.444 9.057 2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 42 15.191 6.905 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.356 6.687 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 42 17.740 6.107 2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 42 17.048 5.846 3.941 1.00 0.00 H new ATOM 695 N GLY A 43 18.166 9.803 3.178 1.00 0.00 N ATOM 696 CA GLY A 43 19.277 10.222 4.017 1.00 0.00 C ATOM 697 C GLY A 43 19.228 11.728 4.260 1.00 0.00 C ATOM 698 O GLY A 43 20.190 12.314 4.763 1.00 0.00 O ATOM 0 H GLY A 43 18.068 10.332 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 43 19.240 9.693 4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.220 9.955 3.541 1.00 0.00 H new ATOM 702 N HIS A 44 18.028 12.289 4.134 1.00 0.00 N ATOM 703 CA HIS A 44 17.766 13.642 4.607 1.00 0.00 C ATOM 704 C HIS A 44 16.310 14.023 4.329 1.00 0.00 C ATOM 705 O HIS A 44 15.739 13.595 3.321 1.00 0.00 O ATOM 706 CB HIS A 44 18.695 14.712 3.983 1.00 0.00 C ATOM 707 CG HIS A 44 18.540 14.827 2.498 1.00 0.00 C ATOM 708 ND1 HIS A 44 19.546 14.601 1.593 1.00 0.00 N ATOM 709 CD2 HIS A 44 17.460 15.208 1.769 1.00 0.00 C ATOM 710 CE1 HIS A 44 19.054 14.702 0.367 1.00 0.00 C ATOM 711 NE2 HIS A 44 17.803 15.102 0.446 1.00 0.00 N ATOM 0 H HIS A 44 17.224 11.827 3.709 1.00 0.00 H new ATOM 0 HA HIS A 44 17.968 13.629 5.678 1.00 0.00 H new ATOM 0 HB2 HIS A 44 18.485 15.679 4.441 1.00 0.00 H new ATOM 0 HB3 HIS A 44 19.731 14.467 4.217 1.00 0.00 H new ATOM 0 HD1 HIS A 44 20.516 14.389 1.826 1.00 0.00 H new ATOM 0 HD2 HIS A 44 16.507 15.534 2.159 1.00 0.00 H new ATOM 0 HE1 HIS A 44 19.591 14.491 -0.546 1.00 0.00 H new ATOM 719 N GLN A 45 15.850 15.060 5.023 1.00 0.00 N ATOM 720 CA GLN A 45 14.685 15.825 4.581 1.00 0.00 C ATOM 721 C GLN A 45 15.131 16.991 3.707 1.00 0.00 C ATOM 722 O GLN A 45 16.323 17.189 3.468 1.00 0.00 O ATOM 723 CB GLN A 45 13.799 16.296 5.730 1.00 0.00 C ATOM 724 CG GLN A 45 14.475 16.341 7.085 1.00 0.00 C ATOM 725 CD GLN A 45 15.389 17.531 7.253 1.00 0.00 C ATOM 726 OE1 GLN A 45 16.606 17.438 7.117 1.00 0.00 O ATOM 727 NE2 GLN A 45 14.797 18.637 7.699 1.00 0.00 N ATOM 0 H GLN A 45 16.265 15.391 5.894 1.00 0.00 H new ATOM 0 HA GLN A 45 14.063 15.152 3.992 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.424 17.292 5.495 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.933 15.637 5.795 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.713 16.363 7.864 1.00 0.00 H new ATOM 0 HG3 GLN A 45 15.050 15.426 7.228 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.782 18.669 7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.358 19.453 7.944 1.00 0.00 H new ATOM 736 N MET A 46 14.192 17.906 3.454 1.00 0.00 N ATOM 737 CA MET A 46 14.442 18.974 2.489 1.00 0.00 C ATOM 738 C MET A 46 15.597 19.853 2.949 1.00 0.00 C ATOM 739 O MET A 46 16.387 20.341 2.140 1.00 0.00 O ATOM 740 CB MET A 46 13.172 19.785 2.235 1.00 0.00 C ATOM 741 CG MET A 46 13.395 20.804 1.147 1.00 0.00 C ATOM 742 SD MET A 46 11.881 21.824 1.035 1.00 0.00 S ATOM 743 CE MET A 46 12.622 23.455 0.842 1.00 0.00 C ATOM 0 H MET A 46 13.272 17.929 3.894 1.00 0.00 H new ATOM 0 HA MET A 46 14.732 18.525 1.539 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.359 19.116 1.952 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.867 20.287 3.153 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.261 21.426 1.375 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.598 20.312 0.196 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.835 24.205 0.758 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.244 23.677 1.709 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.236 23.471 -0.058 1.00 0.00 H new ATOM 753 N LYS A 47 15.833 19.836 4.262 1.00 0.00 N ATOM 754 CA LYS A 47 16.869 20.679 4.847 1.00 0.00 C ATOM 755 C LYS A 47 18.246 20.242 4.363 1.00 0.00 C ATOM 756 O LYS A 47 19.147 21.060 4.183 1.00 0.00 O ATOM 757 CB LYS A 47 16.839 20.637 6.376 1.00 0.00 C ATOM 758 CG LYS A 47 17.877 21.540 7.042 1.00 0.00 C ATOM 759 CD LYS A 47 17.815 22.977 6.562 1.00 0.00 C ATOM 760 CE LYS A 47 19.044 23.463 5.906 1.00 0.00 C ATOM 761 NZ LYS A 47 19.641 24.597 6.622 1.00 0.00 N ATOM 0 H LYS A 47 15.327 19.255 4.930 1.00 0.00 H new ATOM 0 HA LYS A 47 16.670 21.701 4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.846 20.928 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 47 17.001 19.610 6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 47 17.729 21.518 8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 47 18.873 21.142 6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.984 23.077 5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.595 23.621 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.768 22.651 5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.815 23.761 4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 20.502 24.906 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.960 25.383 6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.884 24.307 7.591 1.00 0.00 H new ATOM 775 N ASP A 48 18.460 18.926 4.381 1.00 0.00 N ATOM 776 CA ASP A 48 19.731 18.362 3.950 1.00 0.00 C ATOM 777 C ASP A 48 19.624 17.846 2.518 1.00 0.00 C ATOM 778 O ASP A 48 20.480 17.094 2.052 1.00 0.00 O ATOM 779 CB ASP A 48 20.258 17.333 4.947 1.00 0.00 C ATOM 780 CG ASP A 48 21.451 17.828 5.744 1.00 0.00 C ATOM 781 OD1 ASP A 48 21.376 18.995 6.185 1.00 0.00 O ATOM 782 OD2 ASP A 48 22.458 17.118 5.884 1.00 0.00 O ATOM 0 H ASP A 48 17.772 18.238 4.688 1.00 0.00 H new ATOM 0 HA ASP A 48 20.485 19.149 3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 48 19.458 17.060 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 48 20.539 16.427 4.410 1.00 0.00 H new ATOM 787 N CYS A 49 18.730 18.474 1.759 1.00 0.00 N ATOM 788 CA CYS A 49 18.612 18.202 0.333 1.00 0.00 C ATOM 789 C CYS A 49 19.713 18.935 -0.434 1.00 0.00 C ATOM 790 O CYS A 49 19.937 20.128 -0.219 1.00 0.00 O ATOM 791 CB CYS A 49 17.226 18.576 -0.183 1.00 0.00 C ATOM 792 SG CYS A 49 16.659 17.623 -1.611 1.00 0.00 S ATOM 0 H CYS A 49 18.077 19.175 2.110 1.00 0.00 H new ATOM 0 HA CYS A 49 18.738 17.132 0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 49 16.507 18.451 0.627 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.227 19.633 -0.448 1.00 0.00 H new ATOM 797 N THR A 50 20.175 18.298 -1.509 1.00 0.00 N ATOM 798 CA THR A 50 20.978 18.981 -2.514 1.00 0.00 C ATOM 799 C THR A 50 20.104 19.444 -3.676 1.00 0.00 C ATOM 800 O THR A 50 20.618 19.848 -4.725 1.00 0.00 O ATOM 801 CB THR A 50 22.158 18.060 -3.039 1.00 0.00 C ATOM 802 OG1 THR A 50 21.707 16.682 -2.849 1.00 0.00 O ATOM 803 CG2 THR A 50 23.499 18.325 -2.357 1.00 0.00 C ATOM 0 H THR A 50 20.006 17.311 -1.703 1.00 0.00 H new ATOM 0 HA THR A 50 21.424 19.856 -2.042 1.00 0.00 H new ATOM 0 HB THR A 50 22.360 18.278 -4.088 1.00 0.00 H new ATOM 0 HG1 THR A 50 22.401 16.065 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 50 24.255 17.657 -2.769 1.00 0.00 H new ATOM 0 HG22 THR A 50 23.796 19.360 -2.529 1.00 0.00 H new ATOM 0 HG23 THR A 50 23.404 18.148 -1.286 1.00 0.00 H new ATOM 811 N GLU A 51 18.852 19.764 -3.341 1.00 0.00 N ATOM 812 CA GLU A 51 17.955 20.456 -4.246 1.00 0.00 C ATOM 813 C GLU A 51 17.771 19.671 -5.543 1.00 0.00 C ATOM 814 O GLU A 51 18.316 18.577 -5.698 1.00 0.00 O ATOM 815 CB GLU A 51 18.533 21.851 -4.518 1.00 0.00 C ATOM 816 CG GLU A 51 19.163 22.667 -3.543 1.00 0.00 C ATOM 817 CD GLU A 51 20.626 22.441 -3.302 1.00 0.00 C ATOM 818 OE1 GLU A 51 21.304 22.588 -4.343 1.00 0.00 O ATOM 819 OE2 GLU A 51 21.113 22.211 -2.209 1.00 0.00 O ATOM 0 H GLU A 51 18.439 19.547 -2.434 1.00 0.00 H new ATOM 0 HA GLU A 51 16.968 20.549 -3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.260 21.725 -5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.712 22.444 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.025 23.708 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.639 22.529 -2.597 1.00 0.00 H new ATOM 826 N ARG A 52 16.807 20.116 -6.345 1.00 0.00 N ATOM 827 CA ARG A 52 16.312 19.317 -7.460 1.00 0.00 C ATOM 828 C ARG A 52 16.736 19.936 -8.786 1.00 0.00 C ATOM 829 O ARG A 52 16.205 19.596 -9.843 1.00 0.00 O ATOM 830 CB ARG A 52 14.785 19.175 -7.417 1.00 0.00 C ATOM 831 CG ARG A 52 14.022 20.485 -7.549 1.00 0.00 C ATOM 832 CD ARG A 52 12.708 20.435 -6.848 1.00 0.00 C ATOM 833 NE ARG A 52 12.677 21.297 -5.675 1.00 0.00 N ATOM 834 CZ ARG A 52 11.553 21.610 -5.027 1.00 0.00 C ATOM 835 NH1 ARG A 52 10.405 20.992 -5.288 1.00 0.00 N ATOM 836 NH2 ARG A 52 11.596 22.518 -4.052 1.00 0.00 N ATOM 0 H ARG A 52 16.354 21.024 -6.243 1.00 0.00 H new ATOM 0 HA ARG A 52 16.748 18.322 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.473 18.506 -8.219 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.504 18.699 -6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.622 21.297 -7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 52 13.863 20.708 -8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.919 20.734 -7.538 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.497 19.409 -6.548 1.00 0.00 H new ATOM 0 HE ARG A 52 13.558 21.681 -5.332 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.370 20.260 -5.998 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.560 21.250 -4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.481 22.964 -3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.744 22.767 -3.549 1.00 0.00 H new ATOM 850 N GLN A 53 17.825 20.700 -8.737 1.00 0.00 N ATOM 851 CA GLN A 53 18.475 21.177 -9.951 1.00 0.00 C ATOM 852 C GLN A 53 19.730 20.359 -10.236 1.00 0.00 C ATOM 853 O GLN A 53 20.563 20.746 -11.058 1.00 0.00 O ATOM 854 CB GLN A 53 18.793 22.674 -9.901 1.00 0.00 C ATOM 855 CG GLN A 53 17.760 23.492 -9.150 1.00 0.00 C ATOM 856 CD GLN A 53 16.354 23.278 -9.655 1.00 0.00 C ATOM 857 OE1 GLN A 53 16.096 23.210 -10.853 1.00 0.00 O ATOM 858 NE2 GLN A 53 15.423 23.178 -8.709 1.00 0.00 N ATOM 0 H GLN A 53 18.273 21.000 -7.871 1.00 0.00 H new ATOM 0 HA GLN A 53 17.769 21.040 -10.770 1.00 0.00 H new ATOM 0 HB2 GLN A 53 19.766 22.814 -9.431 1.00 0.00 H new ATOM 0 HB3 GLN A 53 18.874 23.054 -10.920 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.802 23.236 -8.091 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.012 24.549 -9.233 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.686 23.241 -7.726 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.446 23.039 -8.967 1.00 0.00 H new ATOM 867 N ALA A 54 19.741 19.134 -9.719 1.00 0.00 N ATOM 868 CA ALA A 54 20.755 18.156 -10.097 1.00 0.00 C ATOM 869 C ALA A 54 20.097 16.922 -10.708 1.00 0.00 C ATOM 870 O ALA A 54 18.887 16.900 -10.938 1.00 0.00 O ATOM 871 CB ALA A 54 21.605 17.784 -8.887 1.00 0.00 C ATOM 0 H ALA A 54 19.061 18.796 -9.039 1.00 0.00 H new ATOM 0 HA ALA A 54 21.410 18.596 -10.849 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.358 17.053 -9.182 1.00 0.00 H new ATOM 0 HB2 ALA A 54 22.097 18.676 -8.500 1.00 0.00 H new ATOM 0 HB3 ALA A 54 20.968 17.356 -8.113 1.00 0.00 H new ATOM 877 N ASN A 55 20.861 15.835 -10.755 1.00 0.00 N ATOM 878 CA ASN A 55 20.312 14.531 -11.103 1.00 0.00 C ATOM 879 C ASN A 55 19.914 14.499 -12.576 1.00 0.00 C ATOM 880 O ASN A 55 18.715 14.568 -12.887 1.00 0.00 O ATOM 881 CB ASN A 55 19.197 14.116 -10.145 1.00 0.00 C ATOM 882 CG ASN A 55 19.508 14.424 -8.693 1.00 0.00 C ATOM 883 OD1 ASN A 55 19.360 15.570 -8.241 1.00 0.00 O ATOM 884 ND2 ASN A 55 19.897 13.395 -7.941 1.00 0.00 N ATOM 885 OXT ASN A 55 20.788 14.614 -13.447 1.00 0.00 O ATOM 0 H ASN A 55 21.861 15.832 -10.556 1.00 0.00 H new ATOM 0 HA ASN A 55 21.085 13.773 -10.978 1.00 0.00 H new ATOM 0 HB2 ASN A 55 18.276 14.626 -10.428 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.015 13.047 -10.251 1.00 0.00 H new ATOM 0 HD21 ASN A 55 20.087 13.532 -6.948 1.00 0.00 H new ATOM 0 HD22 ASN A 55 20.005 12.470 -8.358 1.00 0.00 H new TER 892 ASN A 55 HETATM 893 ZN ZN A 56 -0.360 -7.533 2.518 1.00 0.00 ZN HETATM 894 ZN ZN A 57 16.450 15.414 -1.010 1.00 0.00 ZN