USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=9 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+ -151:sc= -0.773 (180deg=-1.88!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.493 F(o=-1.2,f=-0.49) USER MOD Single : A 8 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.7) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.093 F(o=-0.95,f=-0.093) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= -0.328 (180deg=-0.463) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 151:sc= -0.687 (180deg=-1.78!) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= 0.121 (180deg=0.00764) USER MOD Single : A 27 ASN : amide:sc= -0.215 X(o=-0.21,f=-0.13) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0476) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.44) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= -0.182 (180deg=-0.727) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -2.81 X(o=-2.8,f=-2.4) USER MOD Single : A 55 ASN : amide:sc= -2.14 K(o=-2.1,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.672 5.928 9.815 1.00 0.00 N ATOM 2 CA MET A 1 -28.278 4.700 9.268 1.00 0.00 C ATOM 3 C MET A 1 -27.389 4.126 8.177 1.00 0.00 C ATOM 4 O MET A 1 -27.865 3.654 7.143 1.00 0.00 O ATOM 5 CB MET A 1 -29.696 4.981 8.786 1.00 0.00 C ATOM 6 CG MET A 1 -30.488 5.761 9.790 1.00 0.00 C ATOM 7 SD MET A 1 -31.064 4.643 11.114 1.00 0.00 S ATOM 8 CE MET A 1 -31.973 5.814 12.137 1.00 0.00 C ATOM 0 H1 MET A 1 -27.959 6.044 10.808 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.636 5.858 9.760 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.993 6.749 9.264 1.00 0.00 H new ATOM 0 HA MET A 1 -28.355 3.945 10.051 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.657 5.534 7.847 1.00 0.00 H new ATOM 0 HB3 MET A 1 -30.202 4.038 8.579 1.00 0.00 H new ATOM 0 HG2 MET A 1 -29.875 6.557 10.213 1.00 0.00 H new ATOM 0 HG3 MET A 1 -31.340 6.238 9.306 1.00 0.00 H new ATOM 0 HE1 MET A 1 -32.395 5.295 12.998 1.00 0.00 H new ATOM 0 HE2 MET A 1 -31.298 6.597 12.481 1.00 0.00 H new ATOM 0 HE3 MET A 1 -32.778 6.260 11.552 1.00 0.00 H new ATOM 20 N GLN A 2 -26.101 4.005 8.496 1.00 0.00 N ATOM 21 CA GLN A 2 -25.161 3.318 7.620 1.00 0.00 C ATOM 22 C GLN A 2 -23.945 2.846 8.410 1.00 0.00 C ATOM 23 O GLN A 2 -22.856 2.682 7.861 1.00 0.00 O ATOM 24 CB GLN A 2 -24.742 4.171 6.420 1.00 0.00 C ATOM 25 CG GLN A 2 -24.957 3.491 5.082 1.00 0.00 C ATOM 26 CD GLN A 2 -24.066 4.033 3.992 1.00 0.00 C ATOM 27 OE1 GLN A 2 -23.313 3.310 3.346 1.00 0.00 O ATOM 28 NE2 GLN A 2 -24.159 5.345 3.786 1.00 0.00 N ATOM 0 H GLN A 2 -25.688 4.374 9.353 1.00 0.00 H new ATOM 0 HA GLN A 2 -25.677 2.448 7.214 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -25.303 5.105 6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -23.688 4.430 6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -24.777 2.422 5.192 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -25.999 3.610 4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -24.800 5.905 4.348 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -23.590 5.790 3.066 1.00 0.00 H new ATOM 37 N ARG A 3 -24.213 2.380 9.629 1.00 0.00 N ATOM 38 CA ARG A 3 -23.166 1.836 10.480 1.00 0.00 C ATOM 39 C ARG A 3 -23.774 1.040 11.631 1.00 0.00 C ATOM 40 O ARG A 3 -24.959 0.705 11.611 1.00 0.00 O ATOM 41 CB ARG A 3 -22.256 2.939 11.037 1.00 0.00 C ATOM 42 CG ARG A 3 -22.941 4.282 11.242 1.00 0.00 C ATOM 43 CD ARG A 3 -23.573 4.378 12.590 1.00 0.00 C ATOM 44 NE ARG A 3 -24.808 3.612 12.672 1.00 0.00 N ATOM 45 CZ ARG A 3 -25.568 3.566 13.768 1.00 0.00 C ATOM 46 NH1 ARG A 3 -25.146 4.060 14.929 1.00 0.00 N ATOM 47 NH2 ARG A 3 -26.756 2.962 13.712 1.00 0.00 N ATOM 0 H ARG A 3 -25.144 2.370 10.045 1.00 0.00 H new ATOM 0 HA ARG A 3 -22.558 1.174 9.863 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -21.845 2.606 11.990 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -21.415 3.075 10.358 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -22.213 5.084 11.123 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -23.700 4.425 10.473 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -22.873 4.018 13.344 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -23.779 5.423 12.819 1.00 0.00 H new ATOM 0 HE ARG A 3 -25.107 3.085 11.852 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -24.222 4.487 14.996 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -25.747 4.012 15.752 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -27.074 2.542 12.839 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -27.346 2.920 14.543 1.00 0.00 H new ATOM 61 N GLY A 4 -22.902 0.559 12.513 1.00 0.00 N ATOM 62 CA GLY A 4 -23.302 -0.400 13.534 1.00 0.00 C ATOM 63 C GLY A 4 -22.843 -1.804 13.155 1.00 0.00 C ATOM 64 O GLY A 4 -23.484 -2.483 12.352 1.00 0.00 O ATOM 0 H GLY A 4 -21.916 0.818 12.540 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.873 -0.117 14.495 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.385 -0.384 13.652 1.00 0.00 H new ATOM 68 N ASN A 5 -21.627 -2.139 13.577 1.00 0.00 N ATOM 69 CA ASN A 5 -20.966 -3.351 13.110 1.00 0.00 C ATOM 70 C ASN A 5 -19.758 -3.667 13.986 1.00 0.00 C ATOM 71 O ASN A 5 -19.168 -2.775 14.595 1.00 0.00 O ATOM 72 CB ASN A 5 -20.655 -3.282 11.616 1.00 0.00 C ATOM 73 CG ASN A 5 -20.252 -4.620 11.025 1.00 0.00 C ATOM 74 OD1 ASN A 5 -21.029 -5.659 11.330 1.00 0.00 O flip ATOM 75 ND2 ASN A 5 -19.251 -4.717 10.300 1.00 0.00 N flip ATOM 0 H ASN A 5 -21.081 -1.589 14.240 1.00 0.00 H new ATOM 0 HA ASN A 5 -21.649 -4.194 13.215 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -21.531 -2.908 11.086 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -19.852 -2.563 11.452 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -18.688 -3.892 10.095 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -18.991 -5.622 9.908 1.00 0.00 H new ATOM 82 N PHE A 6 -19.275 -4.901 13.865 1.00 0.00 N ATOM 83 CA PHE A 6 -18.001 -5.283 14.461 1.00 0.00 C ATOM 84 C PHE A 6 -16.867 -4.459 13.860 1.00 0.00 C ATOM 85 O PHE A 6 -16.335 -4.793 12.801 1.00 0.00 O ATOM 86 CB PHE A 6 -17.669 -6.789 14.301 1.00 0.00 C ATOM 87 CG PHE A 6 -17.181 -7.406 15.580 1.00 0.00 C ATOM 88 CD1 PHE A 6 -15.865 -7.133 15.960 1.00 0.00 C ATOM 89 CD2 PHE A 6 -17.983 -8.193 16.406 1.00 0.00 C ATOM 90 CE1 PHE A 6 -15.327 -7.685 17.112 1.00 0.00 C ATOM 91 CE2 PHE A 6 -17.461 -8.761 17.573 1.00 0.00 C ATOM 92 CZ PHE A 6 -16.114 -8.526 17.902 1.00 0.00 C ATOM 0 H PHE A 6 -19.747 -5.651 13.360 1.00 0.00 H new ATOM 0 HA PHE A 6 -18.099 -5.084 15.528 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -18.558 -7.320 13.960 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -16.909 -6.911 13.529 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -15.258 -6.483 15.348 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -19.016 -8.365 16.142 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -14.308 -7.467 17.396 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -18.083 -9.371 18.212 1.00 0.00 H new ATOM 0 HZ PHE A 6 -15.685 -9.000 18.772 1.00 0.00 H new ATOM 102 N ARG A 7 -16.370 -3.512 14.652 1.00 0.00 N ATOM 103 CA ARG A 7 -15.145 -2.800 14.310 1.00 0.00 C ATOM 104 C ARG A 7 -15.334 -2.002 13.026 1.00 0.00 C ATOM 105 O ARG A 7 -15.101 -2.503 11.926 1.00 0.00 O ATOM 106 CB ARG A 7 -13.957 -3.759 14.159 1.00 0.00 C ATOM 107 CG ARG A 7 -12.688 -3.314 14.872 1.00 0.00 C ATOM 108 CD ARG A 7 -12.147 -2.050 14.296 1.00 0.00 C ATOM 109 NE ARG A 7 -10.880 -1.669 14.902 1.00 0.00 N ATOM 110 CZ ARG A 7 -10.396 -0.425 14.868 1.00 0.00 C ATOM 111 NH1 ARG A 7 -11.135 0.596 14.446 1.00 0.00 N ATOM 112 NH2 ARG A 7 -9.163 -0.194 15.318 1.00 0.00 N ATOM 0 H ARG A 7 -16.796 -3.222 15.532 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.924 -2.116 15.129 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.247 -4.738 14.539 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -13.738 -3.881 13.098 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -12.897 -3.171 15.932 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.935 -4.099 14.799 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -12.012 -2.171 13.221 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -12.872 -1.248 14.438 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.334 -2.388 15.377 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -12.095 0.438 14.139 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.742 1.537 14.429 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.601 -0.963 15.683 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.781 0.752 15.298 1.00 0.00 H new ATOM 126 N ASN A 8 -15.605 -0.710 13.191 1.00 0.00 N ATOM 127 CA ASN A 8 -15.613 0.215 12.066 1.00 0.00 C ATOM 128 C ASN A 8 -15.709 1.654 12.563 1.00 0.00 C ATOM 129 O ASN A 8 -14.868 2.492 12.238 1.00 0.00 O ATOM 130 CB ASN A 8 -16.673 -0.163 11.034 1.00 0.00 C ATOM 131 CG ASN A 8 -18.092 0.004 11.543 1.00 0.00 C ATOM 132 OD1 ASN A 8 -18.441 -0.494 12.624 1.00 0.00 O ATOM 133 ND2 ASN A 8 -18.920 0.703 10.767 1.00 0.00 N ATOM 0 H ASN A 8 -15.821 -0.282 14.091 1.00 0.00 H new ATOM 0 HA ASN A 8 -14.665 0.138 11.533 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.539 0.452 10.144 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.522 -1.199 10.731 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -19.888 0.848 11.054 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -18.586 1.093 9.886 1.00 0.00 H new ATOM 140 N GLN A 9 -16.612 1.867 13.516 1.00 0.00 N ATOM 141 CA GLN A 9 -16.670 3.129 14.242 1.00 0.00 C ATOM 142 C GLN A 9 -17.143 4.250 13.322 1.00 0.00 C ATOM 143 O GLN A 9 -17.718 3.997 12.262 1.00 0.00 O ATOM 144 CB GLN A 9 -15.339 3.488 14.907 1.00 0.00 C ATOM 145 CG GLN A 9 -14.752 2.367 15.742 1.00 0.00 C ATOM 146 CD GLN A 9 -15.422 2.215 17.085 1.00 0.00 C ATOM 147 OE1 GLN A 9 -16.667 1.746 17.047 1.00 0.00 O flip ATOM 148 NE2 GLN A 9 -14.871 2.552 18.130 1.00 0.00 N flip ATOM 0 H GLN A 9 -17.312 1.182 13.802 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.394 3.004 15.047 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -14.622 3.768 14.136 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -15.484 4.363 15.540 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -14.837 1.430 15.192 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -13.689 2.553 15.892 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -13.915 2.906 18.111 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -15.370 2.478 19.017 1.00 0.00 H new ATOM 157 N ARG A 10 -17.087 5.474 13.840 1.00 0.00 N ATOM 158 CA ARG A 10 -17.704 6.612 13.173 1.00 0.00 C ATOM 159 C ARG A 10 -16.646 7.443 12.454 1.00 0.00 C ATOM 160 O ARG A 10 -15.509 7.005 12.280 1.00 0.00 O ATOM 161 CB ARG A 10 -18.477 7.497 14.160 1.00 0.00 C ATOM 162 CG ARG A 10 -19.967 7.199 14.245 1.00 0.00 C ATOM 163 CD ARG A 10 -20.233 5.932 14.985 1.00 0.00 C ATOM 164 NE ARG A 10 -20.767 6.176 16.317 1.00 0.00 N ATOM 165 CZ ARG A 10 -20.593 5.337 17.340 1.00 0.00 C ATOM 166 NH1 ARG A 10 -20.084 4.121 17.164 1.00 0.00 N ATOM 167 NH2 ARG A 10 -20.987 5.706 18.560 1.00 0.00 N ATOM 0 H ARG A 10 -16.621 5.701 14.718 1.00 0.00 H new ATOM 0 HA ARG A 10 -18.413 6.219 12.445 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.039 7.381 15.152 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -18.344 8.540 13.873 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -20.476 8.025 14.742 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -20.382 7.128 13.240 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -20.938 5.323 14.419 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -19.309 5.359 15.065 1.00 0.00 H new ATOM 0 HE ARG A 10 -21.301 7.031 16.476 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -19.816 3.810 16.230 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.961 3.499 17.963 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -21.416 6.620 18.703 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.860 5.074 19.350 1.00 0.00 H new ATOM 181 N LYS A 11 -17.096 8.544 11.857 1.00 0.00 N ATOM 182 CA LYS A 11 -16.257 9.313 10.947 1.00 0.00 C ATOM 183 C LYS A 11 -15.076 9.918 11.697 1.00 0.00 C ATOM 184 O LYS A 11 -15.178 11.000 12.275 1.00 0.00 O ATOM 185 CB LYS A 11 -17.041 10.435 10.263 1.00 0.00 C ATOM 186 CG LYS A 11 -17.860 9.973 9.057 1.00 0.00 C ATOM 187 CD LYS A 11 -18.713 11.075 8.458 1.00 0.00 C ATOM 188 CE LYS A 11 -18.830 11.036 6.988 1.00 0.00 C ATOM 189 NZ LYS A 11 -17.831 11.889 6.332 1.00 0.00 N ATOM 0 H LYS A 11 -18.035 8.921 11.988 1.00 0.00 H new ATOM 0 HA LYS A 11 -15.899 8.624 10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -17.711 10.893 10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.344 11.208 9.941 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.185 9.589 8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.504 9.147 9.358 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -19.712 11.017 8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.295 12.038 8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.712 10.009 6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.829 11.358 6.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.949 11.832 5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.959 12.874 6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.876 11.567 6.589 1.00 0.00 H new ATOM 203 N ILE A 12 -13.911 9.300 11.519 1.00 0.00 N ATOM 204 CA ILE A 12 -12.660 9.886 11.983 1.00 0.00 C ATOM 205 C ILE A 12 -11.482 9.308 11.209 1.00 0.00 C ATOM 206 O ILE A 12 -10.569 10.024 10.800 1.00 0.00 O ATOM 207 CB ILE A 12 -12.503 9.672 13.537 1.00 0.00 C ATOM 208 CG1 ILE A 12 -11.289 10.495 14.042 1.00 0.00 C ATOM 209 CG2 ILE A 12 -12.401 8.183 13.927 1.00 0.00 C ATOM 210 CD1 ILE A 12 -11.348 10.866 15.543 1.00 0.00 C ATOM 0 H ILE A 12 -13.809 8.396 11.058 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.677 10.960 11.797 1.00 0.00 H new ATOM 0 HB ILE A 12 -13.407 10.033 14.028 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.378 9.927 13.856 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.218 11.411 13.456 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.294 8.097 15.008 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.303 7.661 13.608 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.533 7.738 13.440 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.461 11.440 15.811 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.239 11.464 15.735 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.386 9.956 16.142 1.00 0.00 H new ATOM 222 N ILE A 13 -11.506 7.989 11.034 1.00 0.00 N ATOM 223 CA ILE A 13 -10.313 7.274 10.568 1.00 0.00 C ATOM 224 C ILE A 13 -10.333 7.140 9.056 1.00 0.00 C ATOM 225 O ILE A 13 -11.285 6.630 8.467 1.00 0.00 O ATOM 226 CB ILE A 13 -10.262 5.865 11.286 1.00 0.00 C ATOM 227 CG1 ILE A 13 -11.553 5.079 10.937 1.00 0.00 C ATOM 228 CG2 ILE A 13 -10.051 5.990 12.810 1.00 0.00 C ATOM 229 CD1 ILE A 13 -11.354 3.955 9.891 1.00 0.00 C ATOM 0 H ILE A 13 -12.321 7.399 11.203 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.412 7.832 10.823 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.397 5.313 10.919 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -11.956 4.641 11.851 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -12.300 5.779 10.563 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.023 4.996 13.256 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.109 6.502 13.006 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.872 6.560 13.245 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -12.306 3.457 9.706 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.983 4.385 8.961 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.633 3.230 10.269 1.00 0.00 H new ATOM 241 N LYS A 14 -9.293 7.675 8.418 1.00 0.00 N ATOM 242 CA LYS A 14 -9.159 7.588 6.973 1.00 0.00 C ATOM 243 C LYS A 14 -7.892 8.304 6.509 1.00 0.00 C ATOM 244 O LYS A 14 -7.895 9.521 6.313 1.00 0.00 O ATOM 245 CB LYS A 14 -10.363 8.195 6.249 1.00 0.00 C ATOM 246 CG LYS A 14 -10.744 9.591 6.740 1.00 0.00 C ATOM 247 CD LYS A 14 -10.379 10.690 5.761 1.00 0.00 C ATOM 248 CE LYS A 14 -9.709 11.858 6.366 1.00 0.00 C ATOM 249 NZ LYS A 14 -10.634 12.981 6.568 1.00 0.00 N ATOM 0 H LYS A 14 -8.533 8.172 8.883 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.102 6.528 6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.146 8.243 5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.219 7.532 6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.817 9.622 6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.248 9.782 7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.728 10.272 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.286 11.028 5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.274 11.570 7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.887 12.176 5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.092 13.846 6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.204 13.120 5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.262 12.774 7.371 1.00 0.00 H new ATOM 263 N CYS A 15 -6.912 7.511 6.089 1.00 0.00 N ATOM 264 CA CYS A 15 -5.818 8.022 5.257 1.00 0.00 C ATOM 265 C CYS A 15 -6.373 8.536 3.934 1.00 0.00 C ATOM 266 O CYS A 15 -6.898 7.762 3.128 1.00 0.00 O ATOM 267 CB CYS A 15 -4.768 6.934 5.054 1.00 0.00 C ATOM 268 SG CYS A 15 -3.222 7.484 4.301 1.00 0.00 S ATOM 0 H CYS A 15 -6.849 6.517 6.307 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.331 8.858 5.758 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.542 6.485 6.021 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.197 6.149 4.431 1.00 0.00 H new ATOM 273 N PHE A 16 -5.905 9.731 3.558 1.00 0.00 N ATOM 274 CA PHE A 16 -6.382 10.368 2.336 1.00 0.00 C ATOM 275 C PHE A 16 -5.932 9.573 1.113 1.00 0.00 C ATOM 276 O PHE A 16 -6.400 9.824 -0.002 1.00 0.00 O ATOM 277 CB PHE A 16 -5.915 11.837 2.183 1.00 0.00 C ATOM 278 CG PHE A 16 -7.013 12.821 2.475 1.00 0.00 C ATOM 279 CD1 PHE A 16 -7.938 12.651 3.504 1.00 0.00 C ATOM 280 CD2 PHE A 16 -7.040 13.992 1.714 1.00 0.00 C ATOM 281 CE1 PHE A 16 -8.930 13.610 3.733 1.00 0.00 C ATOM 282 CE2 PHE A 16 -8.006 14.961 1.932 1.00 0.00 C ATOM 283 CZ PHE A 16 -8.932 14.786 2.963 1.00 0.00 C ATOM 0 H PHE A 16 -5.208 10.266 4.076 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.469 10.379 2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.078 12.021 2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.549 11.995 1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.888 11.772 4.129 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.297 14.144 0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.683 13.449 4.490 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.043 15.843 1.311 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.655 15.561 3.170 1.00 0.00 H new ATOM 293 N ASN A 17 -4.863 8.801 1.285 1.00 0.00 N ATOM 294 CA ASN A 17 -4.047 8.370 0.142 1.00 0.00 C ATOM 295 C ASN A 17 -4.406 6.946 -0.247 1.00 0.00 C ATOM 296 O ASN A 17 -4.605 6.632 -1.420 1.00 0.00 O ATOM 297 CB ASN A 17 -2.564 8.591 0.440 1.00 0.00 C ATOM 298 CG ASN A 17 -1.671 8.405 -0.768 1.00 0.00 C ATOM 299 OD1 ASN A 17 -1.498 9.331 -1.578 1.00 0.00 O ATOM 300 ND2 ASN A 17 -1.245 7.159 -0.997 1.00 0.00 N ATOM 0 H ASN A 17 -4.540 8.462 2.191 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.265 8.980 -0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.427 9.599 0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.252 7.899 1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.756 6.938 -1.865 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.408 6.429 -0.304 1.00 0.00 H new ATOM 307 N CYS A 18 -4.305 6.046 0.733 1.00 0.00 N ATOM 308 CA CYS A 18 -4.643 4.648 0.510 1.00 0.00 C ATOM 309 C CYS A 18 -6.112 4.394 0.823 1.00 0.00 C ATOM 310 O CYS A 18 -6.695 3.402 0.387 1.00 0.00 O ATOM 311 CB CYS A 18 -3.722 3.717 1.292 1.00 0.00 C ATOM 312 SG CYS A 18 -3.662 4.024 3.072 1.00 0.00 S ATOM 0 H CYS A 18 -3.994 6.262 1.680 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.488 4.426 -0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.043 2.689 1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.713 3.805 0.889 1.00 0.00 H new ATOM 317 N GLY A 19 -6.631 5.178 1.769 1.00 0.00 N ATOM 318 CA GLY A 19 -8.031 5.065 2.154 1.00 0.00 C ATOM 319 C GLY A 19 -8.172 4.223 3.416 1.00 0.00 C ATOM 320 O GLY A 19 -9.033 4.480 4.257 1.00 0.00 O ATOM 0 H GLY A 19 -6.106 5.890 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.449 6.057 2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.602 4.613 1.343 1.00 0.00 H new ATOM 324 N LYS A 20 -7.194 3.346 3.627 1.00 0.00 N ATOM 325 CA LYS A 20 -7.080 2.620 4.886 1.00 0.00 C ATOM 326 C LYS A 20 -6.863 3.592 6.041 1.00 0.00 C ATOM 327 O LYS A 20 -6.184 4.609 5.893 1.00 0.00 O ATOM 328 CB LYS A 20 -5.934 1.608 4.857 1.00 0.00 C ATOM 329 CG LYS A 20 -6.376 0.182 4.520 1.00 0.00 C ATOM 330 CD LYS A 20 -5.995 -0.826 5.587 1.00 0.00 C ATOM 331 CE LYS A 20 -4.557 -1.148 5.647 1.00 0.00 C ATOM 332 NZ LYS A 20 -3.793 -0.130 6.381 1.00 0.00 N ATOM 0 H LYS A 20 -6.471 3.122 2.943 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.014 2.076 5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.195 1.932 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.440 1.605 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.457 0.166 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.930 -0.116 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.308 -0.442 6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.552 -1.746 5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.423 -2.117 6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.163 -1.236 4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.962 -0.572 6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.482 0.612 5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.394 0.291 7.118 1.00 0.00 H new ATOM 346 N GLU A 21 -7.280 3.168 7.231 1.00 0.00 N ATOM 347 CA GLU A 21 -6.922 3.867 8.458 1.00 0.00 C ATOM 348 C GLU A 21 -5.503 3.501 8.882 1.00 0.00 C ATOM 349 O GLU A 21 -4.762 2.868 8.128 1.00 0.00 O ATOM 350 CB GLU A 21 -7.943 3.468 9.530 1.00 0.00 C ATOM 351 CG GLU A 21 -8.008 2.191 10.146 1.00 0.00 C ATOM 352 CD GLU A 21 -7.080 1.938 11.297 1.00 0.00 C ATOM 353 OE1 GLU A 21 -7.169 2.820 12.178 1.00 0.00 O ATOM 354 OE2 GLU A 21 -6.365 0.956 11.397 1.00 0.00 O ATOM 0 H GLU A 21 -7.866 2.344 7.370 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.942 4.947 8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.826 4.188 10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.925 3.640 9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.029 2.035 10.495 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.813 1.437 9.383 1.00 0.00 H new ATOM 361 N GLY A 22 -5.220 3.712 10.165 1.00 0.00 N ATOM 362 CA GLY A 22 -3.998 3.199 10.769 1.00 0.00 C ATOM 363 C GLY A 22 -2.935 4.291 10.830 1.00 0.00 C ATOM 364 O GLY A 22 -2.027 4.244 11.661 1.00 0.00 O ATOM 0 H GLY A 22 -5.820 4.234 10.804 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.208 2.831 11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.626 2.353 10.191 1.00 0.00 H new ATOM 368 N HIS A 23 -2.946 5.154 9.818 1.00 0.00 N ATOM 369 CA HIS A 23 -1.851 6.095 9.608 1.00 0.00 C ATOM 370 C HIS A 23 -2.348 7.333 8.875 1.00 0.00 C ATOM 371 O HIS A 23 -3.507 7.413 8.469 1.00 0.00 O ATOM 372 CB HIS A 23 -0.658 5.485 8.827 1.00 0.00 C ATOM 373 CG HIS A 23 -1.039 5.044 7.446 1.00 0.00 C ATOM 374 ND1 HIS A 23 -1.439 3.772 7.124 1.00 0.00 N ATOM 375 CD2 HIS A 23 -1.158 5.774 6.308 1.00 0.00 C ATOM 376 CE1 HIS A 23 -1.822 3.744 5.857 1.00 0.00 C ATOM 377 NE2 HIS A 23 -1.675 4.946 5.344 1.00 0.00 N ATOM 0 H HIS A 23 -3.699 5.221 9.133 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.488 6.361 10.601 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.143 6.221 8.761 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.263 4.633 9.381 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -1.441 2.974 7.760 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.895 6.814 6.184 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -2.194 2.877 5.331 1.00 0.00 H new ATOM 385 N ILE A 24 -1.518 8.376 8.895 1.00 0.00 N ATOM 386 CA ILE A 24 -1.836 9.603 8.181 1.00 0.00 C ATOM 387 C ILE A 24 -1.110 9.648 6.842 1.00 0.00 C ATOM 388 O ILE A 24 -0.183 8.882 6.588 1.00 0.00 O ATOM 389 CB ILE A 24 -1.486 10.860 9.073 1.00 0.00 C ATOM 390 CG1 ILE A 24 0.003 10.793 9.480 1.00 0.00 C ATOM 391 CG2 ILE A 24 -2.436 11.017 10.277 1.00 0.00 C ATOM 392 CD1 ILE A 24 0.312 9.909 10.713 1.00 0.00 C ATOM 0 H ILE A 24 -0.629 8.392 9.395 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.906 9.625 7.975 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.641 11.764 8.484 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.578 10.420 8.633 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.353 11.805 9.682 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.149 11.896 10.855 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.459 11.135 9.920 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.372 10.131 10.909 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.383 9.929 10.916 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.229 10.291 11.579 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.000 8.884 10.513 1.00 0.00 H new ATOM 404 N ALA A 25 -1.543 10.567 5.985 1.00 0.00 N ATOM 405 CA ALA A 25 -1.185 10.484 4.559 1.00 0.00 C ATOM 406 C ALA A 25 0.184 11.097 4.325 1.00 0.00 C ATOM 407 O ALA A 25 0.959 10.624 3.490 1.00 0.00 O ATOM 408 CB ALA A 25 -2.271 11.214 3.761 1.00 0.00 C ATOM 0 H ALA A 25 -2.129 11.363 6.237 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.130 9.445 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.033 11.170 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.235 10.737 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.318 12.255 4.079 1.00 0.00 H new ATOM 414 N LYS A 26 0.551 12.038 5.193 1.00 0.00 N ATOM 415 CA LYS A 26 1.924 12.526 5.254 1.00 0.00 C ATOM 416 C LYS A 26 2.870 11.400 5.653 1.00 0.00 C ATOM 417 O LYS A 26 4.077 11.473 5.432 1.00 0.00 O ATOM 418 CB LYS A 26 2.072 13.679 6.248 1.00 0.00 C ATOM 419 CG LYS A 26 3.425 14.389 6.178 1.00 0.00 C ATOM 420 CD LYS A 26 4.416 13.887 7.210 1.00 0.00 C ATOM 421 CE LYS A 26 5.829 14.166 6.896 1.00 0.00 C ATOM 422 NZ LYS A 26 6.602 12.936 6.681 1.00 0.00 N ATOM 0 H LYS A 26 -0.083 12.476 5.862 1.00 0.00 H new ATOM 0 HA LYS A 26 2.180 12.891 4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.281 14.407 6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.926 13.296 7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.848 14.255 5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.274 15.459 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.176 14.338 8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.289 12.810 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.885 14.789 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.275 14.736 7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.440 13.149 6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.903 12.550 7.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.011 12.236 6.189 1.00 0.00 H new ATOM 436 N ASN A 27 2.334 10.460 6.431 1.00 0.00 N ATOM 437 CA ASN A 27 3.117 9.323 6.890 1.00 0.00 C ATOM 438 C ASN A 27 2.789 8.076 6.078 1.00 0.00 C ATOM 439 O ASN A 27 3.103 6.955 6.481 1.00 0.00 O ATOM 440 CB ASN A 27 2.996 9.132 8.402 1.00 0.00 C ATOM 441 CG ASN A 27 4.074 8.236 8.980 1.00 0.00 C ATOM 442 OD1 ASN A 27 5.211 8.677 9.209 1.00 0.00 O ATOM 443 ND2 ASN A 27 3.711 6.987 9.271 1.00 0.00 N ATOM 0 H ASN A 27 1.366 10.467 6.753 1.00 0.00 H new ATOM 0 HA ASN A 27 4.173 9.528 6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.042 10.106 8.889 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.019 8.707 8.631 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.380 6.348 9.701 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.764 6.670 9.064 1.00 0.00 H new ATOM 450 N CYS A 28 2.466 8.313 4.803 1.00 0.00 N ATOM 451 CA CYS A 28 2.058 7.212 3.928 1.00 0.00 C ATOM 452 C CYS A 28 3.123 6.971 2.864 1.00 0.00 C ATOM 453 O CYS A 28 3.355 7.819 2.000 1.00 0.00 O ATOM 454 CB CYS A 28 0.694 7.517 3.308 1.00 0.00 C ATOM 455 SG CYS A 28 -0.090 6.125 2.471 1.00 0.00 S ATOM 0 H CYS A 28 2.478 9.233 4.363 1.00 0.00 H new ATOM 0 HA CYS A 28 1.960 6.297 4.512 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.026 7.873 4.093 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.810 8.332 2.594 1.00 0.00 H new ATOM 460 N ARG A 29 3.607 5.733 2.807 1.00 0.00 N ATOM 461 CA ARG A 29 4.375 5.268 1.655 1.00 0.00 C ATOM 462 C ARG A 29 3.708 4.039 1.044 1.00 0.00 C ATOM 463 O ARG A 29 4.364 3.217 0.394 1.00 0.00 O ATOM 464 CB ARG A 29 5.824 4.949 2.033 1.00 0.00 C ATOM 465 CG ARG A 29 6.644 6.147 2.491 1.00 0.00 C ATOM 466 CD ARG A 29 6.614 7.256 1.495 1.00 0.00 C ATOM 467 NE ARG A 29 6.761 6.774 0.129 1.00 0.00 N ATOM 468 CZ ARG A 29 7.923 6.786 -0.529 1.00 0.00 C ATOM 469 NH1 ARG A 29 9.071 7.037 0.093 1.00 0.00 N ATOM 470 NH2 ARG A 29 7.940 6.478 -1.826 1.00 0.00 N ATOM 0 H ARG A 29 3.482 5.036 3.541 1.00 0.00 H new ATOM 0 HA ARG A 29 4.394 6.073 0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.821 4.203 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.318 4.496 1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.260 6.506 3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.676 5.838 2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.674 7.799 1.587 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.414 7.963 1.717 1.00 0.00 H new ATOM 0 HE ARG A 29 5.937 6.410 -0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.077 7.226 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.945 7.040 -0.432 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.072 6.237 -2.304 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.821 6.484 -2.340 1.00 0.00 H new ATOM 484 N ALA A 30 2.391 4.121 0.938 1.00 0.00 N ATOM 485 CA ALA A 30 1.594 3.098 0.268 1.00 0.00 C ATOM 486 C ALA A 30 2.032 2.918 -1.173 1.00 0.00 C ATOM 487 O ALA A 30 2.366 3.898 -1.847 1.00 0.00 O ATOM 488 CB ALA A 30 0.123 3.544 0.346 1.00 0.00 C ATOM 0 H ALA A 30 1.843 4.896 1.312 1.00 0.00 H new ATOM 0 HA ALA A 30 1.728 2.132 0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.508 2.804 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.174 3.638 1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.008 4.507 -0.152 1.00 0.00 H new ATOM 494 N PRO A 31 2.095 1.652 -1.654 1.00 0.00 N ATOM 495 CA PRO A 31 2.825 1.399 -2.883 1.00 0.00 C ATOM 496 C PRO A 31 2.121 2.093 -4.051 1.00 0.00 C ATOM 497 O PRO A 31 1.216 1.519 -4.660 1.00 0.00 O ATOM 498 CB PRO A 31 2.905 -0.119 -2.833 1.00 0.00 C ATOM 499 CG PRO A 31 1.656 -0.522 -2.049 1.00 0.00 C ATOM 500 CD PRO A 31 1.443 0.523 -1.004 1.00 0.00 C ATOM 0 HA PRO A 31 3.828 1.807 -3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.908 -0.553 -3.833 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.815 -0.456 -2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.791 -0.590 -2.709 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.787 -1.503 -1.593 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.387 0.707 -0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.906 0.264 -0.052 1.00 0.00 H new ATOM 508 N ARG A 32 2.752 3.159 -4.537 1.00 0.00 N ATOM 509 CA ARG A 32 2.395 3.736 -5.828 1.00 0.00 C ATOM 510 C ARG A 32 3.462 3.410 -6.867 1.00 0.00 C ATOM 511 O ARG A 32 3.150 2.984 -7.980 1.00 0.00 O ATOM 512 CB ARG A 32 2.202 5.254 -5.736 1.00 0.00 C ATOM 513 CG ARG A 32 1.846 5.930 -7.053 1.00 0.00 C ATOM 514 CD ARG A 32 0.646 5.313 -7.686 1.00 0.00 C ATOM 515 NE ARG A 32 0.982 4.578 -8.897 1.00 0.00 N ATOM 516 CZ ARG A 32 1.577 5.139 -9.952 1.00 0.00 C ATOM 517 NH1 ARG A 32 1.728 6.457 -10.045 1.00 0.00 N ATOM 518 NH2 ARG A 32 1.976 4.365 -10.962 1.00 0.00 N ATOM 0 H ARG A 32 3.512 3.640 -4.056 1.00 0.00 H new ATOM 0 HA ARG A 32 1.446 3.295 -6.134 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.415 5.463 -5.011 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.118 5.701 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.660 6.990 -6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.692 5.863 -7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.168 4.640 -6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.078 6.092 -7.924 1.00 0.00 H new ATOM 0 HE ARG A 32 0.751 3.585 -8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.386 7.063 -9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.186 6.861 -10.862 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.825 3.357 -10.922 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.432 4.781 -11.774 1.00 0.00 H new ATOM 532 N LYS A 33 4.712 3.392 -6.413 1.00 0.00 N ATOM 533 CA LYS A 33 5.809 2.872 -7.218 1.00 0.00 C ATOM 534 C LYS A 33 6.644 1.887 -6.407 1.00 0.00 C ATOM 535 O LYS A 33 7.007 2.157 -5.262 1.00 0.00 O ATOM 536 CB LYS A 33 6.718 3.991 -7.732 1.00 0.00 C ATOM 537 CG LYS A 33 7.260 4.903 -6.631 1.00 0.00 C ATOM 538 CD LYS A 33 8.672 4.550 -6.205 1.00 0.00 C ATOM 539 CE LYS A 33 8.997 4.885 -4.806 1.00 0.00 C ATOM 540 NZ LYS A 33 9.954 3.937 -4.220 1.00 0.00 N ATOM 0 H LYS A 33 4.989 3.732 -5.492 1.00 0.00 H new ATOM 0 HA LYS A 33 5.364 2.366 -8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.557 3.547 -8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.164 4.595 -8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.240 5.935 -6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.601 4.847 -5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.825 3.481 -6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.374 5.066 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.411 5.892 -4.762 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.083 4.890 -4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.348 4.338 -3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.469 3.043 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.724 3.758 -4.896 1.00 0.00 H new ATOM 554 N ARG A 34 6.779 0.677 -6.944 1.00 0.00 N ATOM 555 CA ARG A 34 7.371 -0.424 -6.197 1.00 0.00 C ATOM 556 C ARG A 34 8.712 -0.820 -6.808 1.00 0.00 C ATOM 557 O ARG A 34 9.273 -0.087 -7.624 1.00 0.00 O ATOM 558 CB ARG A 34 6.441 -1.644 -6.151 1.00 0.00 C ATOM 559 CG ARG A 34 6.068 -2.208 -7.514 1.00 0.00 C ATOM 560 CD ARG A 34 4.702 -2.805 -7.509 1.00 0.00 C ATOM 561 NE ARG A 34 4.679 -4.127 -8.119 1.00 0.00 N ATOM 562 CZ ARG A 34 3.874 -5.109 -7.708 1.00 0.00 C ATOM 563 NH1 ARG A 34 2.892 -4.885 -6.840 1.00 0.00 N ATOM 564 NH2 ARG A 34 4.023 -6.331 -8.221 1.00 0.00 N ATOM 0 H ARG A 34 6.487 0.437 -7.891 1.00 0.00 H new ATOM 0 HA ARG A 34 7.526 -0.079 -5.175 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.921 -2.429 -5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.527 -1.368 -5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.116 -1.416 -8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.795 -2.966 -7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.341 -2.874 -6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.018 -2.147 -8.045 1.00 0.00 H new ATOM 0 HE ARG A 34 5.309 -4.312 -8.899 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.740 -3.946 -6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.290 -5.653 -6.541 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.746 -6.506 -8.919 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.414 -7.090 -7.915 1.00 0.00 H new ATOM 578 N GLY A 35 9.317 -1.855 -6.232 1.00 0.00 N ATOM 579 CA GLY A 35 10.705 -2.189 -6.529 1.00 0.00 C ATOM 580 C GLY A 35 10.858 -3.691 -6.742 1.00 0.00 C ATOM 581 O GLY A 35 9.959 -4.349 -7.267 1.00 0.00 O ATOM 0 H GLY A 35 8.868 -2.475 -5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.031 -1.654 -7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.347 -1.864 -5.710 1.00 0.00 H new ATOM 585 N CYS A 36 12.077 -4.177 -6.524 1.00 0.00 N ATOM 586 CA CYS A 36 12.444 -5.526 -6.939 1.00 0.00 C ATOM 587 C CYS A 36 12.888 -6.347 -5.729 1.00 0.00 C ATOM 588 O CYS A 36 13.967 -6.110 -5.177 1.00 0.00 O ATOM 589 CB CYS A 36 13.520 -5.495 -8.020 1.00 0.00 C ATOM 590 SG CYS A 36 13.771 -7.070 -8.876 1.00 0.00 S ATOM 0 H CYS A 36 12.825 -3.658 -6.064 1.00 0.00 H new ATOM 0 HA CYS A 36 11.567 -6.007 -7.372 1.00 0.00 H new ATOM 0 HB2 CYS A 36 13.257 -4.735 -8.755 1.00 0.00 H new ATOM 0 HB3 CYS A 36 14.463 -5.188 -7.567 1.00 0.00 H new ATOM 595 N TRP A 37 12.278 -7.529 -5.606 1.00 0.00 N ATOM 596 CA TRP A 37 12.640 -8.461 -4.552 1.00 0.00 C ATOM 597 C TRP A 37 14.032 -9.041 -4.785 1.00 0.00 C ATOM 598 O TRP A 37 14.591 -9.700 -3.902 1.00 0.00 O ATOM 599 CB TRP A 37 11.578 -9.552 -4.385 1.00 0.00 C ATOM 600 CG TRP A 37 11.202 -9.849 -2.977 1.00 0.00 C ATOM 601 CD1 TRP A 37 11.156 -8.977 -1.924 1.00 0.00 C ATOM 602 CD2 TRP A 37 10.792 -11.123 -2.454 1.00 0.00 C ATOM 603 NE1 TRP A 37 10.747 -9.626 -0.783 1.00 0.00 N ATOM 604 CE2 TRP A 37 10.520 -10.940 -1.079 1.00 0.00 C ATOM 605 CE3 TRP A 37 10.634 -12.382 -3.022 1.00 0.00 C ATOM 606 CZ2 TRP A 37 10.097 -11.980 -0.264 1.00 0.00 C ATOM 607 CZ3 TRP A 37 10.212 -13.417 -2.212 1.00 0.00 C ATOM 608 CH2 TRP A 37 9.948 -13.224 -0.858 1.00 0.00 C ATOM 0 H TRP A 37 11.535 -7.856 -6.224 1.00 0.00 H new ATOM 0 HA TRP A 37 12.677 -7.910 -3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.682 -9.253 -4.930 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.943 -10.468 -4.849 1.00 0.00 H new ATOM 0 HD1 TRP A 37 11.406 -7.928 -1.981 1.00 0.00 H new ATOM 0 HE1 TRP A 37 10.632 -9.196 0.135 1.00 0.00 H new ATOM 0 HE3 TRP A 37 10.836 -12.546 -4.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.893 -11.828 0.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 10.083 -14.401 -2.639 1.00 0.00 H new ATOM 0 HH2 TRP A 37 9.621 -14.061 -0.259 1.00 0.00 H new ATOM 619 N LYS A 38 14.380 -9.138 -6.070 1.00 0.00 N ATOM 620 CA LYS A 38 15.600 -9.822 -6.478 1.00 0.00 C ATOM 621 C LYS A 38 16.816 -8.943 -6.178 1.00 0.00 C ATOM 622 O LYS A 38 17.760 -9.387 -5.522 1.00 0.00 O ATOM 623 CB LYS A 38 15.588 -10.135 -7.979 1.00 0.00 C ATOM 624 CG LYS A 38 16.792 -10.946 -8.452 1.00 0.00 C ATOM 625 CD LYS A 38 16.905 -12.299 -7.777 1.00 0.00 C ATOM 626 CE LYS A 38 18.024 -12.422 -6.824 1.00 0.00 C ATOM 627 NZ LYS A 38 17.808 -13.505 -5.855 1.00 0.00 N ATOM 0 H LYS A 38 13.834 -8.752 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 38 15.656 -10.756 -5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.677 -10.683 -8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.552 -9.198 -8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.724 -11.090 -9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.702 -10.376 -8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.973 -12.506 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.014 -13.065 -8.545 1.00 0.00 H new ATOM 0 HE2 LYS A 38 18.948 -12.606 -7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.151 -11.480 -6.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.618 -13.556 -5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.940 -13.318 -5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.712 -14.409 -6.360 1.00 0.00 H new ATOM 641 N CYS A 39 16.925 -7.862 -6.952 1.00 0.00 N ATOM 642 CA CYS A 39 18.132 -7.052 -6.962 1.00 0.00 C ATOM 643 C CYS A 39 18.055 -5.952 -5.911 1.00 0.00 C ATOM 644 O CYS A 39 19.075 -5.490 -5.398 1.00 0.00 O ATOM 645 CB CYS A 39 18.433 -6.502 -8.352 1.00 0.00 C ATOM 646 SG CYS A 39 17.116 -5.511 -9.091 1.00 0.00 S ATOM 0 H CYS A 39 16.190 -7.532 -7.577 1.00 0.00 H new ATOM 0 HA CYS A 39 18.970 -7.697 -6.699 1.00 0.00 H new ATOM 0 HB2 CYS A 39 19.336 -5.894 -8.296 1.00 0.00 H new ATOM 0 HB3 CYS A 39 18.652 -7.338 -9.016 1.00 0.00 H new ATOM 651 N GLY A 40 16.837 -5.730 -5.415 1.00 0.00 N ATOM 652 CA GLY A 40 16.612 -4.704 -4.405 1.00 0.00 C ATOM 653 C GLY A 40 16.858 -3.318 -4.990 1.00 0.00 C ATOM 654 O GLY A 40 16.980 -2.335 -4.258 1.00 0.00 O ATOM 0 H GLY A 40 16.001 -6.243 -5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 40 15.591 -4.771 -4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 40 17.274 -4.870 -3.555 1.00 0.00 H new ATOM 658 N LYS A 41 16.732 -3.225 -6.311 1.00 0.00 N ATOM 659 CA LYS A 41 16.693 -1.931 -6.982 1.00 0.00 C ATOM 660 C LYS A 41 15.250 -1.488 -7.196 1.00 0.00 C ATOM 661 O LYS A 41 14.312 -2.244 -6.936 1.00 0.00 O ATOM 662 CB LYS A 41 17.408 -1.971 -8.334 1.00 0.00 C ATOM 663 CG LYS A 41 18.201 -0.704 -8.655 1.00 0.00 C ATOM 664 CD LYS A 41 18.247 -0.389 -10.138 1.00 0.00 C ATOM 665 CE LYS A 41 16.997 0.162 -10.692 1.00 0.00 C ATOM 666 NZ LYS A 41 16.677 -0.407 -12.008 1.00 0.00 N ATOM 0 H LYS A 41 16.655 -4.028 -6.935 1.00 0.00 H new ATOM 0 HA LYS A 41 17.210 -1.219 -6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.085 -2.825 -8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.670 -2.134 -9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.758 0.139 -8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.219 -0.816 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.053 0.322 -10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.498 -1.300 -10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.177 -0.037 -10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.086 1.245 -10.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.791 0.008 -12.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.447 -0.195 -12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.566 -1.438 -11.923 1.00 0.00 H new ATOM 680 N GLU A 42 15.084 -0.194 -7.454 1.00 0.00 N ATOM 681 CA GLU A 42 13.762 0.418 -7.464 1.00 0.00 C ATOM 682 C GLU A 42 13.365 0.804 -8.884 1.00 0.00 C ATOM 683 O GLU A 42 13.586 1.933 -9.321 1.00 0.00 O ATOM 684 CB GLU A 42 13.816 1.646 -6.545 1.00 0.00 C ATOM 685 CG GLU A 42 12.811 2.644 -6.473 1.00 0.00 C ATOM 686 CD GLU A 42 13.205 3.973 -5.902 1.00 0.00 C ATOM 687 OE1 GLU A 42 13.738 4.121 -4.816 1.00 0.00 O ATOM 688 OE2 GLU A 42 12.910 4.921 -6.662 1.00 0.00 O ATOM 0 H GLU A 42 15.849 0.449 -7.659 1.00 0.00 H new ATOM 0 HA GLU A 42 13.008 -0.282 -7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.930 1.259 -5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.741 2.167 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.426 2.809 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.987 2.251 -5.877 1.00 0.00 H new ATOM 695 N GLY A 43 12.628 -0.092 -9.538 1.00 0.00 N ATOM 696 CA GLY A 43 11.933 0.252 -10.772 1.00 0.00 C ATOM 697 C GLY A 43 11.965 -0.922 -11.748 1.00 0.00 C ATOM 698 O GLY A 43 12.078 -0.721 -12.961 1.00 0.00 O ATOM 0 H GLY A 43 12.498 -1.057 -9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.900 0.522 -10.552 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.400 1.125 -11.228 1.00 0.00 H new ATOM 702 N HIS A 44 11.584 -2.095 -11.248 1.00 0.00 N ATOM 703 CA HIS A 44 11.185 -3.201 -12.114 1.00 0.00 C ATOM 704 C HIS A 44 10.762 -4.403 -11.270 1.00 0.00 C ATOM 705 O HIS A 44 11.280 -4.614 -10.171 1.00 0.00 O ATOM 706 CB HIS A 44 12.282 -3.641 -13.112 1.00 0.00 C ATOM 707 CG HIS A 44 13.511 -4.175 -12.435 1.00 0.00 C ATOM 708 ND1 HIS A 44 14.783 -3.723 -12.686 1.00 0.00 N ATOM 709 CD2 HIS A 44 13.661 -5.332 -11.735 1.00 0.00 C ATOM 710 CE1 HIS A 44 15.648 -4.478 -12.025 1.00 0.00 C ATOM 711 NE2 HIS A 44 14.991 -5.440 -11.414 1.00 0.00 N ATOM 0 H HIS A 44 11.543 -2.304 -10.250 1.00 0.00 H new ATOM 0 HA HIS A 44 10.349 -2.830 -12.707 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.877 -4.406 -13.774 1.00 0.00 H new ATOM 0 HB3 HIS A 44 12.558 -2.792 -13.737 1.00 0.00 H new ATOM 0 HD1 HIS A 44 15.023 -2.933 -13.285 1.00 0.00 H new ATOM 0 HD2 HIS A 44 12.880 -6.033 -11.480 1.00 0.00 H new ATOM 0 HE1 HIS A 44 16.717 -4.328 -11.993 1.00 0.00 H new ATOM 719 N GLN A 45 10.205 -5.388 -11.988 1.00 0.00 N ATOM 720 CA GLN A 45 9.749 -6.615 -11.331 1.00 0.00 C ATOM 721 C GLN A 45 10.781 -7.720 -11.510 1.00 0.00 C ATOM 722 O GLN A 45 11.728 -7.573 -12.292 1.00 0.00 O ATOM 723 CB GLN A 45 8.379 -7.045 -11.875 1.00 0.00 C ATOM 724 CG GLN A 45 7.438 -5.882 -12.142 1.00 0.00 C ATOM 725 CD GLN A 45 6.052 -6.108 -11.592 1.00 0.00 C ATOM 726 OE1 GLN A 45 5.407 -5.208 -11.060 1.00 0.00 O ATOM 727 NE2 GLN A 45 5.597 -7.355 -11.698 1.00 0.00 N ATOM 0 H GLN A 45 10.063 -5.360 -12.998 1.00 0.00 H new ATOM 0 HA GLN A 45 9.637 -6.420 -10.264 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.524 -7.604 -12.799 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.911 -7.724 -11.162 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.855 -4.976 -11.702 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.373 -5.713 -13.217 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.169 -8.070 -12.148 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.677 -7.595 -11.329 1.00 0.00 H new ATOM 736 N MET A 46 10.425 -8.913 -11.040 1.00 0.00 N ATOM 737 CA MET A 46 11.219 -10.106 -11.300 1.00 0.00 C ATOM 738 C MET A 46 11.297 -10.379 -12.798 1.00 0.00 C ATOM 739 O MET A 46 12.378 -10.583 -13.350 1.00 0.00 O ATOM 740 CB MET A 46 10.672 -11.307 -10.529 1.00 0.00 C ATOM 741 CG MET A 46 11.522 -12.525 -10.715 1.00 0.00 C ATOM 742 SD MET A 46 13.003 -12.402 -9.653 1.00 0.00 S ATOM 743 CE MET A 46 13.185 -14.129 -9.172 1.00 0.00 C ATOM 0 H MET A 46 9.591 -9.077 -10.477 1.00 0.00 H new ATOM 0 HA MET A 46 12.234 -9.932 -10.943 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.616 -11.062 -9.468 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.656 -11.519 -10.861 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.954 -13.420 -10.462 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.817 -12.619 -11.760 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.049 -14.235 -8.516 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.288 -14.457 -8.646 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.328 -14.742 -10.062 1.00 0.00 H new ATOM 753 N LYS A 47 10.187 -10.093 -13.480 1.00 0.00 N ATOM 754 CA LYS A 47 10.109 -10.321 -14.917 1.00 0.00 C ATOM 755 C LYS A 47 10.822 -9.209 -15.675 1.00 0.00 C ATOM 756 O LYS A 47 11.404 -9.434 -16.736 1.00 0.00 O ATOM 757 CB LYS A 47 8.659 -10.406 -15.401 1.00 0.00 C ATOM 758 CG LYS A 47 8.433 -11.448 -16.497 1.00 0.00 C ATOM 759 CD LYS A 47 6.981 -11.867 -16.630 1.00 0.00 C ATOM 760 CE LYS A 47 6.258 -11.239 -17.752 1.00 0.00 C ATOM 761 NZ LYS A 47 6.887 -11.531 -19.047 1.00 0.00 N ATOM 0 H LYS A 47 9.340 -9.707 -13.063 1.00 0.00 H new ATOM 0 HA LYS A 47 10.597 -11.275 -15.115 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.016 -10.640 -14.553 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.352 -9.429 -15.773 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.777 -11.045 -17.449 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.041 -12.328 -16.285 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.939 -12.950 -16.749 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.462 -11.628 -15.702 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.227 -11.593 -17.762 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.223 -10.160 -17.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.163 -11.526 -19.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.605 -10.808 -19.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.339 -12.467 -19.010 1.00 0.00 H new ATOM 775 N ASP A 48 10.898 -8.042 -15.040 1.00 0.00 N ATOM 776 CA ASP A 48 11.702 -6.945 -15.561 1.00 0.00 C ATOM 777 C ASP A 48 13.006 -6.823 -14.778 1.00 0.00 C ATOM 778 O ASP A 48 13.702 -5.810 -14.863 1.00 0.00 O ATOM 779 CB ASP A 48 10.899 -5.649 -15.644 1.00 0.00 C ATOM 780 CG ASP A 48 10.012 -5.571 -16.872 1.00 0.00 C ATOM 781 OD1 ASP A 48 9.727 -6.592 -17.515 1.00 0.00 O ATOM 782 OD2 ASP A 48 9.627 -4.429 -17.205 1.00 0.00 O ATOM 0 H ASP A 48 10.413 -7.834 -14.167 1.00 0.00 H new ATOM 0 HA ASP A 48 11.984 -7.166 -16.590 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.281 -5.555 -14.751 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.586 -4.803 -15.646 1.00 0.00 H new ATOM 787 N CYS A 49 13.436 -7.949 -14.214 1.00 0.00 N ATOM 788 CA CYS A 49 14.757 -8.042 -13.607 1.00 0.00 C ATOM 789 C CYS A 49 15.816 -8.262 -14.686 1.00 0.00 C ATOM 790 O CYS A 49 15.622 -9.074 -15.595 1.00 0.00 O ATOM 791 CB CYS A 49 14.799 -9.140 -12.548 1.00 0.00 C ATOM 792 SG CYS A 49 16.047 -8.899 -11.261 1.00 0.00 S ATOM 0 H CYS A 49 12.888 -8.808 -14.166 1.00 0.00 H new ATOM 0 HA CYS A 49 14.976 -7.101 -13.102 1.00 0.00 H new ATOM 0 HB2 CYS A 49 13.819 -9.209 -12.076 1.00 0.00 H new ATOM 0 HB3 CYS A 49 14.984 -10.095 -13.041 1.00 0.00 H new ATOM 797 N THR A 50 17.027 -7.788 -14.401 1.00 0.00 N ATOM 798 CA THR A 50 18.217 -8.228 -15.118 1.00 0.00 C ATOM 799 C THR A 50 18.406 -9.734 -14.992 1.00 0.00 C ATOM 800 O THR A 50 18.921 -10.385 -15.907 1.00 0.00 O ATOM 801 CB THR A 50 19.512 -7.459 -14.617 1.00 0.00 C ATOM 802 OG1 THR A 50 20.535 -7.693 -15.635 1.00 0.00 O ATOM 803 CG2 THR A 50 19.979 -7.881 -13.225 1.00 0.00 C ATOM 0 H THR A 50 17.208 -7.096 -13.674 1.00 0.00 H new ATOM 0 HA THR A 50 18.071 -7.989 -16.171 1.00 0.00 H new ATOM 0 HB THR A 50 19.294 -6.397 -14.501 1.00 0.00 H new ATOM 0 HG1 THR A 50 21.363 -7.237 -15.377 1.00 0.00 H new ATOM 0 HG21 THR A 50 20.868 -7.313 -12.952 1.00 0.00 H new ATOM 0 HG22 THR A 50 19.187 -7.687 -12.501 1.00 0.00 H new ATOM 0 HG23 THR A 50 20.215 -8.945 -13.228 1.00 0.00 H new ATOM 811 N GLU A 51 17.757 -10.321 -13.989 1.00 0.00 N ATOM 812 CA GLU A 51 17.516 -11.755 -13.948 1.00 0.00 C ATOM 813 C GLU A 51 18.824 -12.536 -14.028 1.00 0.00 C ATOM 814 O GLU A 51 19.909 -11.955 -13.955 1.00 0.00 O ATOM 815 CB GLU A 51 16.582 -12.108 -15.112 1.00 0.00 C ATOM 816 CG GLU A 51 17.004 -12.353 -16.444 1.00 0.00 C ATOM 817 CD GLU A 51 16.090 -13.161 -17.316 1.00 0.00 C ATOM 818 OE1 GLU A 51 15.193 -12.687 -17.991 1.00 0.00 O ATOM 819 OE2 GLU A 51 16.310 -14.388 -17.222 1.00 0.00 O ATOM 0 H GLU A 51 17.386 -9.814 -13.185 1.00 0.00 H new ATOM 0 HA GLU A 51 17.049 -12.030 -13.002 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.038 -13.000 -14.801 1.00 0.00 H new ATOM 0 HB3 GLU A 51 15.856 -11.297 -15.171 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.169 -11.391 -16.928 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.968 -12.860 -16.405 1.00 0.00 H new ATOM 826 N ARG A 52 18.711 -13.801 -14.425 1.00 0.00 N ATOM 827 CA ARG A 52 19.873 -14.579 -14.838 1.00 0.00 C ATOM 828 C ARG A 52 19.544 -15.404 -16.078 1.00 0.00 C ATOM 829 O ARG A 52 18.706 -16.306 -16.031 1.00 0.00 O ATOM 830 CB ARG A 52 20.365 -15.501 -13.715 1.00 0.00 C ATOM 831 CG ARG A 52 19.290 -16.388 -13.105 1.00 0.00 C ATOM 832 CD ARG A 52 18.813 -15.864 -11.795 1.00 0.00 C ATOM 833 NE ARG A 52 18.620 -14.421 -11.811 1.00 0.00 N ATOM 834 CZ ARG A 52 19.494 -13.561 -11.285 1.00 0.00 C ATOM 835 NH1 ARG A 52 20.696 -13.955 -10.874 1.00 0.00 N ATOM 836 NH2 ARG A 52 19.163 -12.272 -11.188 1.00 0.00 N ATOM 0 H ARG A 52 17.827 -14.308 -14.469 1.00 0.00 H new ATOM 0 HA ARG A 52 20.673 -13.876 -15.072 1.00 0.00 H new ATOM 0 HB2 ARG A 52 21.161 -16.135 -14.106 1.00 0.00 H new ATOM 0 HB3 ARG A 52 20.803 -14.889 -12.926 1.00 0.00 H new ATOM 0 HG2 ARG A 52 18.448 -16.464 -13.794 1.00 0.00 H new ATOM 0 HG3 ARG A 52 19.684 -17.395 -12.971 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.874 -16.350 -11.533 1.00 0.00 H new ATOM 0 HD3 ARG A 52 19.534 -16.123 -11.019 1.00 0.00 H new ATOM 0 HE ARG A 52 17.775 -14.049 -12.246 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.968 -14.935 -10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 52 21.346 -13.278 -10.475 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.250 -11.954 -11.514 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.823 -11.605 -10.788 1.00 0.00 H new ATOM 850 N GLN A 53 20.043 -14.940 -17.220 1.00 0.00 N ATOM 851 CA GLN A 53 19.618 -15.472 -18.509 1.00 0.00 C ATOM 852 C GLN A 53 20.662 -16.442 -19.053 1.00 0.00 C ATOM 853 O GLN A 53 21.573 -16.858 -18.337 1.00 0.00 O ATOM 854 CB GLN A 53 19.305 -14.372 -19.526 1.00 0.00 C ATOM 855 CG GLN A 53 18.149 -14.706 -20.450 1.00 0.00 C ATOM 856 CD GLN A 53 16.897 -13.924 -20.137 1.00 0.00 C ATOM 857 OE1 GLN A 53 16.875 -12.696 -20.154 1.00 0.00 O ATOM 858 NE2 GLN A 53 15.815 -14.661 -19.896 1.00 0.00 N ATOM 0 H GLN A 53 20.741 -14.198 -17.278 1.00 0.00 H new ATOM 0 HA GLN A 53 18.686 -16.013 -18.344 1.00 0.00 H new ATOM 0 HB2 GLN A 53 19.077 -13.450 -18.992 1.00 0.00 H new ATOM 0 HB3 GLN A 53 20.195 -14.181 -20.126 1.00 0.00 H new ATOM 0 HG2 GLN A 53 18.446 -14.508 -21.480 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.932 -15.772 -20.380 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.882 -15.679 -19.892 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.919 -14.208 -19.715 1.00 0.00 H new ATOM 867 N ALA A 54 20.398 -16.947 -20.255 1.00 0.00 N ATOM 868 CA ALA A 54 21.174 -18.054 -20.802 1.00 0.00 C ATOM 869 C ALA A 54 21.613 -17.736 -22.230 1.00 0.00 C ATOM 870 O ALA A 54 22.636 -18.247 -22.698 1.00 0.00 O ATOM 871 CB ALA A 54 20.361 -19.343 -20.754 1.00 0.00 C ATOM 0 H ALA A 54 19.655 -16.608 -20.866 1.00 0.00 H new ATOM 0 HA ALA A 54 22.068 -18.194 -20.195 1.00 0.00 H new ATOM 0 HB1 ALA A 54 20.952 -20.161 -21.165 1.00 0.00 H new ATOM 0 HB2 ALA A 54 20.098 -19.569 -19.721 1.00 0.00 H new ATOM 0 HB3 ALA A 54 19.451 -19.221 -21.342 1.00 0.00 H new ATOM 877 N ASN A 55 20.645 -17.256 -23.016 1.00 0.00 N ATOM 878 CA ASN A 55 20.899 -16.930 -24.411 1.00 0.00 C ATOM 879 C ASN A 55 21.343 -18.169 -25.183 1.00 0.00 C ATOM 880 O ASN A 55 21.221 -19.289 -24.666 1.00 0.00 O ATOM 881 CB ASN A 55 21.828 -15.729 -24.556 1.00 0.00 C ATOM 882 CG ASN A 55 23.289 -16.058 -24.316 1.00 0.00 C ATOM 883 OD1 ASN A 55 23.782 -15.964 -23.182 1.00 0.00 O ATOM 884 ND2 ASN A 55 24.000 -16.410 -25.387 1.00 0.00 N ATOM 885 OXT ASN A 55 21.992 -18.037 -26.232 1.00 0.00 O ATOM 0 H ASN A 55 19.687 -17.088 -22.708 1.00 0.00 H new ATOM 0 HA ASN A 55 19.965 -16.610 -24.872 1.00 0.00 H new ATOM 0 HB2 ASN A 55 21.718 -15.314 -25.558 1.00 0.00 H new ATOM 0 HB3 ASN A 55 21.519 -14.954 -23.854 1.00 0.00 H new ATOM 0 HD21 ASN A 55 24.995 -16.616 -25.294 1.00 0.00 H new ATOM 0 HD22 ASN A 55 23.549 -16.474 -26.300 1.00 0.00 H new TER 892 ASN A 55 HETATM 893 ZN ZN A 56 -2.087 5.644 3.504 1.00 0.00 ZN HETATM 894 ZN ZN A 57 15.652 -6.898 -10.197 1.00 0.00 ZN