USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 426 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 -170:sc= 0 (180deg=-0.0633) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.929 K(o=-0.93,f=-6.3!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.8!) USER MOD Single : A 8 ASN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 9 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.52) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.00112) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= 2.18 (180deg=1.17) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.484 F(o=-1.9,f=-0.48) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0891) USER MOD Single : A 27 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.17) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0828) USER MOD Single : A 38 LYS NZ :NH3+ -120:sc= 1.02 (180deg=-1.76!) USER MOD Single : A 41 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.395) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 176:sc= -0.0309 (180deg=-0.0798) USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00661) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 53 GLN : amide:sc= -0.616 K(o=-0.62,f=-2.5!) USER MOD Single : A 55 ASN : amide:sc= -1.58 K(o=-1.6,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C MET A 1 2.055 -1.385 -1.896 1.00 1.00 C ATOM 4 O MET A 1 2.973 -2.180 -1.697 1.00 1.00 O ATOM 5 CB MET A 1 3.520 0.417 -0.972 1.00 1.00 C ATOM 6 CG MET A 1 3.933 1.584 -1.871 1.00 1.00 C ATOM 7 SD MET A 1 3.384 3.127 -1.160 1.00 1.00 S ATOM 8 CE MET A 1 2.203 3.636 -2.398 1.00 1.00 C ATOM 0 H1 MET A 1 1.352 0.950 0.422 1.00 1.00 H new ATOM 0 H2 MET A 1 0.338 -0.267 -0.188 1.00 1.00 H new ATOM 0 H3 MET A 1 1.749 -0.684 0.659 1.00 1.00 H new ATOM 0 HA MET A 1 1.604 0.708 -1.928 1.00 1.00 H new ATOM 0 HB2 MET A 1 3.629 0.703 0.074 1.00 1.00 H new ATOM 0 HB3 MET A 1 4.185 -0.430 -1.141 1.00 1.00 H new ATOM 0 HG2 MET A 1 5.016 1.595 -1.992 1.00 1.00 H new ATOM 0 HG3 MET A 1 3.503 1.458 -2.865 1.00 1.00 H new ATOM 0 HE1 MET A 1 1.894 4.663 -2.205 1.00 1.00 H new ATOM 0 HE2 MET A 1 2.661 3.574 -3.385 1.00 1.00 H new ATOM 0 HE3 MET A 1 1.332 2.982 -2.361 1.00 1.00 H new ATOM 18 N GLN A 2 1.001 -1.631 -2.660 1.00 1.00 N ATOM 19 CA GLN A 2 0.852 -2.906 -3.341 1.00 1.00 C ATOM 20 C GLN A 2 0.888 -4.054 -2.331 1.00 1.00 C ATOM 21 O GLN A 2 1.342 -3.878 -1.201 1.00 1.00 O ATOM 22 CB GLN A 2 1.929 -3.084 -4.413 1.00 1.00 C ATOM 23 CG GLN A 2 1.332 -2.958 -5.816 1.00 1.00 C ATOM 24 CD GLN A 2 0.823 -1.538 -6.070 1.00 1.00 C ATOM 25 OE1 GLN A 2 0.184 -0.921 -5.234 1.00 1.00 O ATOM 26 NE2 GLN A 2 1.143 -1.055 -7.267 1.00 1.00 N ATOM 0 H GLN A 2 0.242 -0.969 -2.823 1.00 1.00 H new ATOM 0 HA GLN A 2 -0.117 -2.918 -3.841 1.00 1.00 H new ATOM 0 HB2 GLN A 2 2.709 -2.335 -4.277 1.00 1.00 H new ATOM 0 HB3 GLN A 2 2.401 -4.060 -4.301 1.00 1.00 H new ATOM 0 HG2 GLN A 2 2.085 -3.217 -6.560 1.00 1.00 H new ATOM 0 HG3 GLN A 2 0.513 -3.668 -5.932 1.00 1.00 H new ATOM 0 HE21 GLN A 2 1.681 -1.625 -7.920 1.00 1.00 H new ATOM 0 HE22 GLN A 2 0.851 -0.114 -7.532 1.00 1.00 H new ATOM 35 N LYS A 3 0.404 -5.205 -2.774 1.00 1.00 N ATOM 36 CA LYS A 3 0.375 -6.383 -1.923 1.00 1.00 C ATOM 37 C LYS A 3 1.793 -6.940 -1.783 1.00 1.00 C ATOM 38 O LYS A 3 2.728 -6.431 -2.399 1.00 1.00 O ATOM 39 CB LYS A 3 -0.637 -7.401 -2.451 1.00 1.00 C ATOM 40 CG LYS A 3 -0.125 -8.071 -3.728 1.00 1.00 C ATOM 41 CD LYS A 3 -0.682 -9.489 -3.865 1.00 1.00 C ATOM 42 CE LYS A 3 -2.157 -9.462 -4.271 1.00 1.00 C ATOM 43 NZ LYS A 3 -2.952 -10.351 -3.395 1.00 1.00 N ATOM 0 H LYS A 3 0.029 -5.347 -3.712 1.00 1.00 H new ATOM 0 HA LYS A 3 0.035 -6.121 -0.921 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -0.828 -8.158 -1.690 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -1.586 -6.905 -2.652 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -0.414 -7.478 -4.595 1.00 1.00 H new ATOM 0 HG3 LYS A 3 0.964 -8.104 -3.714 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -0.106 -10.039 -4.609 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -0.571 -10.020 -2.920 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -2.539 -8.443 -4.208 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -2.260 -9.777 -5.309 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -3.951 -10.321 -3.684 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -2.597 -11.325 -3.476 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -2.868 -10.032 -2.409 1.00 1.00 H new ATOM 56 N GLY A 4 1.909 -7.979 -0.969 1.00 1.00 N ATOM 57 CA GLY A 4 3.197 -8.611 -0.740 1.00 1.00 C ATOM 58 C GLY A 4 3.871 -8.977 -2.064 1.00 1.00 C ATOM 59 O GLY A 4 3.294 -9.692 -2.882 1.00 1.00 O ATOM 0 H GLY A 4 1.132 -8.399 -0.460 1.00 1.00 H new ATOM 0 HA2 GLY A 4 3.841 -7.938 -0.174 1.00 1.00 H new ATOM 0 HA3 GLY A 4 3.064 -9.508 -0.135 1.00 1.00 H new ATOM 63 N ASN A 5 5.083 -8.470 -2.234 1.00 1.00 N ATOM 64 CA ASN A 5 5.842 -8.734 -3.445 1.00 1.00 C ATOM 65 C ASN A 5 7.100 -9.529 -3.089 1.00 1.00 C ATOM 66 O ASN A 5 8.119 -8.951 -2.717 1.00 1.00 O ATOM 67 CB ASN A 5 6.280 -7.431 -4.116 1.00 1.00 C ATOM 68 CG ASN A 5 6.944 -6.491 -3.107 1.00 1.00 C ATOM 69 OD1 ASN A 5 8.149 -6.493 -2.918 1.00 1.00 O ATOM 70 ND2 ASN A 5 6.093 -5.691 -2.472 1.00 1.00 N ATOM 0 H ASN A 5 5.559 -7.878 -1.553 1.00 1.00 H new ATOM 0 HA ASN A 5 5.203 -9.294 -4.128 1.00 1.00 H new ATOM 0 HB2 ASN A 5 6.975 -7.651 -4.926 1.00 1.00 H new ATOM 0 HB3 ASN A 5 5.416 -6.939 -4.563 1.00 1.00 H new ATOM 0 HD21 ASN A 5 6.438 -5.027 -1.779 1.00 1.00 H new ATOM 0 HD22 ASN A 5 5.095 -5.741 -2.678 1.00 1.00 H new ATOM 77 N PHE A 6 6.987 -10.843 -3.218 1.00 1.00 N ATOM 78 CA PHE A 6 8.102 -11.723 -2.915 1.00 1.00 C ATOM 79 C PHE A 6 8.404 -11.729 -1.415 1.00 1.00 C ATOM 80 O PHE A 6 8.311 -12.769 -0.763 1.00 1.00 O ATOM 81 CB PHE A 6 9.319 -11.179 -3.666 1.00 1.00 C ATOM 82 CG PHE A 6 10.368 -12.239 -4.003 1.00 1.00 C ATOM 83 CD1 PHE A 6 11.164 -12.744 -3.023 1.00 1.00 C ATOM 84 CD2 PHE A 6 10.505 -12.678 -5.283 1.00 1.00 C ATOM 85 CE1 PHE A 6 12.138 -13.729 -3.336 1.00 1.00 C ATOM 86 CE2 PHE A 6 11.480 -13.662 -5.596 1.00 1.00 C ATOM 87 CZ PHE A 6 12.276 -14.167 -4.616 1.00 1.00 C ATOM 0 H PHE A 6 6.140 -11.319 -3.528 1.00 1.00 H new ATOM 0 HA PHE A 6 7.862 -12.743 -3.214 1.00 1.00 H new ATOM 0 HB2 PHE A 6 8.982 -10.709 -4.590 1.00 1.00 H new ATOM 0 HB3 PHE A 6 9.786 -10.399 -3.064 1.00 1.00 H new ATOM 0 HD1 PHE A 6 11.055 -12.396 -2.006 1.00 1.00 H new ATOM 0 HD2 PHE A 6 9.872 -12.278 -6.062 1.00 1.00 H new ATOM 0 HE1 PHE A 6 12.769 -14.130 -2.557 1.00 1.00 H new ATOM 0 HE2 PHE A 6 11.589 -14.009 -6.613 1.00 1.00 H new ATOM 0 HZ PHE A 6 13.017 -14.915 -4.854 1.00 1.00 H new ATOM 97 N ARG A 7 8.761 -10.557 -0.911 1.00 1.00 N ATOM 98 CA ARG A 7 9.078 -10.414 0.500 1.00 1.00 C ATOM 99 C ARG A 7 8.492 -9.111 1.046 1.00 1.00 C ATOM 100 O ARG A 7 8.105 -8.230 0.279 1.00 1.00 O ATOM 101 CB ARG A 7 10.590 -10.421 0.728 1.00 1.00 C ATOM 102 CG ARG A 7 11.251 -9.213 0.061 1.00 1.00 C ATOM 103 CD ARG A 7 11.227 -7.994 0.985 1.00 1.00 C ATOM 104 NE ARG A 7 12.574 -7.385 1.054 1.00 1.00 N ATOM 105 CZ ARG A 7 13.581 -7.857 1.820 1.00 1.00 C ATOM 106 NH1 ARG A 7 13.400 -8.952 2.589 1.00 1.00 N ATOM 107 NH2 ARG A 7 14.744 -7.234 1.804 1.00 1.00 N ATOM 0 H ARG A 7 8.838 -9.697 -1.455 1.00 1.00 H new ATOM 0 HA ARG A 7 8.639 -11.262 1.026 1.00 1.00 H new ATOM 0 HB2 ARG A 7 10.800 -10.410 1.798 1.00 1.00 H new ATOM 0 HB3 ARG A 7 11.017 -11.341 0.328 1.00 1.00 H new ATOM 0 HG2 ARG A 7 12.281 -9.456 -0.200 1.00 1.00 H new ATOM 0 HG3 ARG A 7 10.734 -8.979 -0.869 1.00 1.00 H new ATOM 0 HD2 ARG A 7 10.507 -7.263 0.618 1.00 1.00 H new ATOM 0 HD3 ARG A 7 10.901 -8.290 1.982 1.00 1.00 H new ATOM 0 HE ARG A 7 12.753 -6.556 0.487 1.00 1.00 H new ATOM 0 HH11 ARG A 7 12.498 -9.428 2.594 1.00 1.00 H new ATOM 0 HH12 ARG A 7 14.165 -9.303 3.165 1.00 1.00 H new ATOM 0 HH21 ARG A 7 14.872 -6.409 1.219 1.00 1.00 H new ATOM 0 HH22 ARG A 7 15.515 -7.578 2.377 1.00 1.00 H new ATOM 120 N ASN A 8 8.445 -9.028 2.368 1.00 1.00 N ATOM 121 CA ASN A 8 7.913 -7.847 3.025 1.00 1.00 C ATOM 122 C ASN A 8 8.535 -7.719 4.417 1.00 1.00 C ATOM 123 O ASN A 8 9.081 -6.673 4.764 1.00 1.00 O ATOM 124 CB ASN A 8 6.396 -7.946 3.193 1.00 1.00 C ATOM 125 CG ASN A 8 5.752 -6.557 3.194 1.00 1.00 C ATOM 126 OD1 ASN A 8 5.097 -6.147 2.250 1.00 1.00 O ATOM 127 ND2 ASN A 8 5.975 -5.860 4.304 1.00 1.00 N ATOM 0 H ASN A 8 8.767 -9.760 3.001 1.00 1.00 H new ATOM 0 HA ASN A 8 8.152 -6.982 2.407 1.00 1.00 H new ATOM 0 HB2 ASN A 8 5.975 -8.545 2.385 1.00 1.00 H new ATOM 0 HB3 ASN A 8 6.163 -8.460 4.126 1.00 1.00 H new ATOM 0 HD21 ASN A 8 5.588 -4.921 4.403 1.00 1.00 H new ATOM 0 HD22 ASN A 8 6.533 -6.264 5.056 1.00 1.00 H new ATOM 134 N GLN A 9 8.431 -8.800 5.178 1.00 1.00 N ATOM 135 CA GLN A 9 8.977 -8.822 6.524 1.00 1.00 C ATOM 136 C GLN A 9 8.246 -7.811 7.410 1.00 1.00 C ATOM 137 O GLN A 9 7.970 -6.691 6.982 1.00 1.00 O ATOM 138 CB GLN A 9 10.482 -8.551 6.510 1.00 1.00 C ATOM 139 CG GLN A 9 11.250 -9.749 5.947 1.00 1.00 C ATOM 140 CD GLN A 9 11.041 -10.991 6.815 1.00 1.00 C ATOM 141 OE1 GLN A 9 10.238 -11.860 6.518 1.00 1.00 O ATOM 142 NE2 GLN A 9 11.808 -11.027 7.901 1.00 1.00 N ATOM 0 H GLN A 9 7.977 -9.666 4.887 1.00 1.00 H new ATOM 0 HA GLN A 9 8.825 -9.818 6.940 1.00 1.00 H new ATOM 0 HB2 GLN A 9 10.690 -7.666 5.909 1.00 1.00 H new ATOM 0 HB3 GLN A 9 10.826 -8.337 7.522 1.00 1.00 H new ATOM 0 HG2 GLN A 9 10.918 -9.952 4.929 1.00 1.00 H new ATOM 0 HG3 GLN A 9 12.313 -9.512 5.895 1.00 1.00 H new ATOM 0 HE21 GLN A 9 12.460 -10.266 8.090 1.00 1.00 H new ATOM 0 HE22 GLN A 9 11.744 -11.816 8.544 1.00 1.00 H new ATOM 151 N ARG A 10 7.953 -8.242 8.628 1.00 1.00 N ATOM 152 CA ARG A 10 7.259 -7.388 9.577 1.00 1.00 C ATOM 153 C ARG A 10 8.084 -6.131 9.862 1.00 1.00 C ATOM 154 O ARG A 10 7.652 -5.020 9.559 1.00 1.00 O ATOM 155 CB ARG A 10 6.997 -8.126 10.892 1.00 1.00 C ATOM 156 CG ARG A 10 5.667 -7.689 11.510 1.00 1.00 C ATOM 157 CD ARG A 10 5.763 -6.267 12.068 1.00 1.00 C ATOM 158 NE ARG A 10 4.516 -5.920 12.784 1.00 1.00 N ATOM 159 CZ ARG A 10 4.151 -4.659 13.101 1.00 1.00 C ATOM 160 NH1 ARG A 10 4.937 -3.614 12.767 1.00 1.00 N ATOM 161 NH2 ARG A 10 3.014 -4.464 13.743 1.00 1.00 N ATOM 0 H ARG A 10 8.183 -9.171 8.980 1.00 1.00 H new ATOM 0 HA ARG A 10 6.304 -7.107 9.134 1.00 1.00 H new ATOM 0 HB2 ARG A 10 6.983 -9.201 10.713 1.00 1.00 H new ATOM 0 HB3 ARG A 10 7.809 -7.929 11.592 1.00 1.00 H new ATOM 0 HG2 ARG A 10 4.879 -7.736 10.758 1.00 1.00 H new ATOM 0 HG3 ARG A 10 5.388 -8.378 12.307 1.00 1.00 H new ATOM 0 HD2 ARG A 10 6.614 -6.190 12.744 1.00 1.00 H new ATOM 0 HD3 ARG A 10 5.935 -5.560 11.257 1.00 1.00 H new ATOM 0 HE ARG A 10 3.893 -6.681 13.055 1.00 1.00 H new ATOM 0 HH11 ARG A 10 5.814 -3.773 12.271 1.00 1.00 H new ATOM 0 HH12 ARG A 10 4.654 -2.665 13.010 1.00 1.00 H new ATOM 0 HH21 ARG A 10 2.426 -5.259 13.992 1.00 1.00 H new ATOM 0 HH22 ARG A 10 2.724 -3.518 13.990 1.00 1.00 H new ATOM 174 N LYS A 11 9.256 -6.349 10.440 1.00 1.00 N ATOM 175 CA LYS A 11 10.145 -5.248 10.768 1.00 1.00 C ATOM 176 C LYS A 11 11.594 -5.734 10.712 1.00 1.00 C ATOM 177 O LYS A 11 12.421 -5.153 10.010 1.00 1.00 O ATOM 178 CB LYS A 11 9.756 -4.628 12.112 1.00 1.00 C ATOM 179 CG LYS A 11 8.863 -3.401 11.911 1.00 1.00 C ATOM 180 CD LYS A 11 8.873 -2.506 13.152 1.00 1.00 C ATOM 181 CE LYS A 11 7.897 -3.024 14.210 1.00 1.00 C ATOM 182 NZ LYS A 11 8.607 -3.851 15.211 1.00 1.00 N ATOM 0 H LYS A 11 9.611 -7.272 10.690 1.00 1.00 H new ATOM 0 HA LYS A 11 10.048 -4.448 10.034 1.00 1.00 H new ATOM 0 HB2 LYS A 11 9.234 -5.367 12.720 1.00 1.00 H new ATOM 0 HB3 LYS A 11 10.655 -4.343 12.659 1.00 1.00 H new ATOM 0 HG2 LYS A 11 9.208 -2.834 11.046 1.00 1.00 H new ATOM 0 HG3 LYS A 11 7.843 -3.720 11.697 1.00 1.00 H new ATOM 0 HD2 LYS A 11 9.879 -2.467 13.569 1.00 1.00 H new ATOM 0 HD3 LYS A 11 8.604 -1.487 12.872 1.00 1.00 H new ATOM 0 HE2 LYS A 11 7.408 -2.184 14.704 1.00 1.00 H new ATOM 0 HE3 LYS A 11 7.114 -3.613 13.733 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 7.956 -4.096 15.984 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 8.952 -4.722 14.760 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 9.413 -3.317 15.594 1.00 1.00 H new ATOM 195 N THR A 12 11.859 -6.794 11.462 1.00 1.00 N ATOM 196 CA THR A 12 13.194 -7.365 11.506 1.00 1.00 C ATOM 197 C THR A 12 13.582 -7.923 10.135 1.00 1.00 C ATOM 198 O THR A 12 13.267 -9.068 9.816 1.00 1.00 O ATOM 199 CB THR A 12 13.223 -8.414 12.620 1.00 1.00 C ATOM 200 OG1 THR A 12 12.435 -7.840 13.658 1.00 1.00 O ATOM 201 CG2 THR A 12 14.611 -8.565 13.246 1.00 1.00 C ATOM 0 H THR A 12 11.171 -7.272 12.044 1.00 1.00 H new ATOM 0 HA THR A 12 13.941 -6.605 11.735 1.00 1.00 H new ATOM 0 HB THR A 12 12.898 -9.375 12.222 1.00 1.00 H new ATOM 0 HG1 THR A 12 12.399 -8.455 14.420 1.00 1.00 H new ATOM 0 HG21 THR A 12 14.576 -9.321 14.030 1.00 1.00 H new ATOM 0 HG22 THR A 12 15.324 -8.869 12.480 1.00 1.00 H new ATOM 0 HG23 THR A 12 14.923 -7.612 13.674 1.00 1.00 H new ATOM 209 N VAL A 13 14.259 -7.087 9.362 1.00 1.00 N ATOM 210 CA VAL A 13 14.693 -7.483 8.033 1.00 1.00 C ATOM 211 C VAL A 13 15.690 -8.637 8.149 1.00 1.00 C ATOM 212 O VAL A 13 16.124 -8.979 9.248 1.00 1.00 O ATOM 213 CB VAL A 13 15.262 -6.274 7.287 1.00 1.00 C ATOM 214 CG1 VAL A 13 14.160 -5.266 6.955 1.00 1.00 C ATOM 215 CG2 VAL A 13 16.386 -5.615 8.088 1.00 1.00 C ATOM 0 H VAL A 13 14.518 -6.137 9.630 1.00 1.00 H new ATOM 0 HA VAL A 13 13.847 -7.842 7.446 1.00 1.00 H new ATOM 0 HB VAL A 13 15.685 -6.629 6.347 1.00 1.00 H new ATOM 0 HG11 VAL A 13 14.591 -4.417 6.425 1.00 1.00 H new ATOM 0 HG12 VAL A 13 13.408 -5.743 6.326 1.00 1.00 H new ATOM 0 HG13 VAL A 13 13.694 -4.919 7.877 1.00 1.00 H new ATOM 0 HG21 VAL A 13 16.773 -4.759 7.535 1.00 1.00 H new ATOM 0 HG22 VAL A 13 15.999 -5.281 9.051 1.00 1.00 H new ATOM 0 HG23 VAL A 13 17.188 -6.335 8.249 1.00 1.00 H new ATOM 225 N LYS A 14 16.024 -9.206 7.000 1.00 1.00 N ATOM 226 CA LYS A 14 16.962 -10.315 6.959 1.00 1.00 C ATOM 227 C LYS A 14 18.058 -10.013 5.935 1.00 1.00 C ATOM 228 O LYS A 14 17.772 -9.542 4.835 1.00 1.00 O ATOM 229 CB LYS A 14 16.225 -11.631 6.701 1.00 1.00 C ATOM 230 CG LYS A 14 15.727 -11.706 5.256 1.00 1.00 C ATOM 231 CD LYS A 14 15.202 -13.106 4.930 1.00 1.00 C ATOM 232 CE LYS A 14 15.497 -13.476 3.475 1.00 1.00 C ATOM 233 NZ LYS A 14 16.937 -13.771 3.297 1.00 1.00 N ATOM 0 H LYS A 14 15.662 -8.920 6.090 1.00 1.00 H new ATOM 0 HA LYS A 14 17.452 -10.435 7.925 1.00 1.00 H new ATOM 0 HB2 LYS A 14 16.890 -12.470 6.904 1.00 1.00 H new ATOM 0 HB3 LYS A 14 15.381 -11.720 7.385 1.00 1.00 H new ATOM 0 HG2 LYS A 14 14.936 -10.972 5.101 1.00 1.00 H new ATOM 0 HG3 LYS A 14 16.538 -11.450 4.574 1.00 1.00 H new ATOM 0 HD2 LYS A 14 15.663 -13.836 5.595 1.00 1.00 H new ATOM 0 HD3 LYS A 14 14.128 -13.146 5.109 1.00 1.00 H new ATOM 0 HE2 LYS A 14 14.904 -14.344 3.187 1.00 1.00 H new ATOM 0 HE3 LYS A 14 15.204 -12.657 2.819 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 17.194 -13.654 2.296 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 17.500 -13.117 3.878 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 17.130 -14.750 3.591 1.00 1.00 H new ATOM 246 N CYS A 15 19.290 -10.297 6.332 1.00 1.00 N ATOM 247 CA CYS A 15 20.430 -10.062 5.463 1.00 1.00 C ATOM 248 C CYS A 15 20.602 -11.282 4.555 1.00 1.00 C ATOM 249 O CYS A 15 20.931 -12.369 5.027 1.00 1.00 O ATOM 250 CB CYS A 15 21.699 -9.762 6.262 1.00 1.00 C ATOM 251 SG CYS A 15 23.099 -9.457 5.124 1.00 1.00 S ATOM 0 H CYS A 15 19.523 -10.688 7.245 1.00 1.00 H new ATOM 0 HA CYS A 15 20.248 -9.178 4.852 1.00 1.00 H new ATOM 0 HB2 CYS A 15 21.541 -8.891 6.898 1.00 1.00 H new ATOM 0 HB3 CYS A 15 21.931 -10.599 6.920 1.00 1.00 H new ATOM 256 N PHE A 16 20.371 -11.061 3.270 1.00 1.00 N ATOM 257 CA PHE A 16 20.496 -12.128 2.292 1.00 1.00 C ATOM 258 C PHE A 16 21.938 -12.253 1.798 1.00 1.00 C ATOM 259 O PHE A 16 22.211 -12.979 0.843 1.00 1.00 O ATOM 260 CB PHE A 16 19.595 -11.761 1.111 1.00 1.00 C ATOM 261 CG PHE A 16 18.530 -12.812 0.791 1.00 1.00 C ATOM 262 CD1 PHE A 16 18.889 -14.112 0.615 1.00 1.00 C ATOM 263 CD2 PHE A 16 17.225 -12.446 0.682 1.00 1.00 C ATOM 264 CE1 PHE A 16 17.900 -15.087 0.318 1.00 1.00 C ATOM 265 CE2 PHE A 16 16.236 -13.422 0.385 1.00 1.00 C ATOM 266 CZ PHE A 16 16.595 -14.722 0.209 1.00 1.00 C ATOM 0 H PHE A 16 20.098 -10.158 2.883 1.00 1.00 H new ATOM 0 HA PHE A 16 20.210 -13.079 2.741 1.00 1.00 H new ATOM 0 HB2 PHE A 16 19.102 -10.812 1.324 1.00 1.00 H new ATOM 0 HB3 PHE A 16 20.215 -11.607 0.228 1.00 1.00 H new ATOM 0 HD1 PHE A 16 19.926 -14.403 0.701 1.00 1.00 H new ATOM 0 HD2 PHE A 16 16.940 -11.414 0.821 1.00 1.00 H new ATOM 0 HE1 PHE A 16 18.185 -16.119 0.179 1.00 1.00 H new ATOM 0 HE2 PHE A 16 15.199 -13.132 0.299 1.00 1.00 H new ATOM 0 HZ PHE A 16 15.844 -15.464 -0.017 1.00 1.00 H new ATOM 276 N ASN A 17 22.825 -11.534 2.471 1.00 1.00 N ATOM 277 CA ASN A 17 24.233 -11.555 2.113 1.00 1.00 C ATOM 278 C ASN A 17 24.977 -12.515 3.043 1.00 1.00 C ATOM 279 O ASN A 17 25.835 -13.276 2.598 1.00 1.00 O ATOM 280 CB ASN A 17 24.861 -10.168 2.264 1.00 1.00 C ATOM 281 CG ASN A 17 26.240 -10.116 1.605 1.00 1.00 C ATOM 282 OD1 ASN A 17 27.203 -10.690 2.320 1.00 1.00 O flip ATOM 283 ND2 ASN A 17 26.419 -9.589 0.519 1.00 1.00 N flip ATOM 0 H ASN A 17 22.595 -10.933 3.263 1.00 1.00 H new ATOM 0 HA ASN A 17 24.312 -11.875 1.074 1.00 1.00 H new ATOM 0 HB2 ASN A 17 24.210 -9.419 1.813 1.00 1.00 H new ATOM 0 HB3 ASN A 17 24.950 -9.918 3.321 1.00 1.00 H new ATOM 0 HD21 ASN A 17 25.635 -9.166 0.022 1.00 1.00 H new ATOM 0 HD22 ASN A 17 27.352 -9.572 0.108 1.00 1.00 H new ATOM 290 N CYS A 18 24.622 -12.447 4.318 1.00 1.00 N ATOM 291 CA CYS A 18 25.246 -13.301 5.315 1.00 1.00 C ATOM 292 C CYS A 18 24.221 -14.345 5.762 1.00 1.00 C ATOM 293 O CYS A 18 24.564 -15.508 5.967 1.00 1.00 O ATOM 294 CB CYS A 18 25.787 -12.491 6.494 1.00 1.00 C ATOM 295 SG CYS A 18 24.452 -11.469 7.217 1.00 1.00 S ATOM 0 H CYS A 18 23.911 -11.814 4.683 1.00 1.00 H new ATOM 0 HA CYS A 18 26.109 -13.804 4.878 1.00 1.00 H new ATOM 0 HB2 CYS A 18 26.193 -13.162 7.251 1.00 1.00 H new ATOM 0 HB3 CYS A 18 26.606 -11.853 6.162 1.00 1.00 H new ATOM 300 N GLY A 19 22.984 -13.892 5.899 1.00 1.00 N ATOM 301 CA GLY A 19 21.907 -14.773 6.319 1.00 1.00 C ATOM 302 C GLY A 19 21.556 -14.548 7.791 1.00 1.00 C ATOM 303 O GLY A 19 21.066 -15.455 8.462 1.00 1.00 O ATOM 0 H GLY A 19 22.703 -12.927 5.727 1.00 1.00 H new ATOM 0 HA2 GLY A 19 21.027 -14.597 5.701 1.00 1.00 H new ATOM 0 HA3 GLY A 19 22.201 -15.811 6.166 1.00 1.00 H new ATOM 307 N LYS A 20 21.821 -13.334 8.250 1.00 1.00 N ATOM 308 CA LYS A 20 21.539 -12.979 9.631 1.00 1.00 C ATOM 309 C LYS A 20 20.438 -11.917 9.665 1.00 1.00 C ATOM 310 O LYS A 20 20.430 -10.999 8.847 1.00 1.00 O ATOM 311 CB LYS A 20 22.823 -12.556 10.348 1.00 1.00 C ATOM 312 CG LYS A 20 23.276 -13.628 11.341 1.00 1.00 C ATOM 313 CD LYS A 20 22.332 -13.695 12.543 1.00 1.00 C ATOM 314 CE LYS A 20 22.795 -14.754 13.546 1.00 1.00 C ATOM 315 NZ LYS A 20 23.569 -14.127 14.641 1.00 1.00 N ATOM 0 H LYS A 20 22.228 -12.584 7.691 1.00 1.00 H new ATOM 0 HA LYS A 20 21.165 -13.844 10.178 1.00 1.00 H new ATOM 0 HB2 LYS A 20 23.611 -12.378 9.616 1.00 1.00 H new ATOM 0 HB3 LYS A 20 22.657 -11.615 10.873 1.00 1.00 H new ATOM 0 HG2 LYS A 20 23.308 -14.598 10.845 1.00 1.00 H new ATOM 0 HG3 LYS A 20 24.288 -13.410 11.681 1.00 1.00 H new ATOM 0 HD2 LYS A 20 22.289 -12.721 13.031 1.00 1.00 H new ATOM 0 HD3 LYS A 20 21.322 -13.927 12.204 1.00 1.00 H new ATOM 0 HE2 LYS A 20 21.931 -15.277 13.956 1.00 1.00 H new ATOM 0 HE3 LYS A 20 23.408 -15.500 13.040 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 23.876 -14.859 15.313 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 24.403 -13.648 14.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 22.972 -13.433 15.134 1.00 1.00 H new ATOM 328 N GLU A 21 19.535 -12.079 10.621 1.00 1.00 N ATOM 329 CA GLU A 21 18.431 -11.146 10.773 1.00 1.00 C ATOM 330 C GLU A 21 18.872 -9.930 11.590 1.00 1.00 C ATOM 331 O GLU A 21 19.671 -10.058 12.517 1.00 1.00 O ATOM 332 CB GLU A 21 17.221 -11.828 11.415 1.00 1.00 C ATOM 333 CG GLU A 21 17.530 -12.255 12.851 1.00 1.00 C ATOM 334 CD GLU A 21 16.242 -12.437 13.658 1.00 1.00 C ATOM 335 OE1 GLU A 21 15.906 -11.582 14.490 1.00 1.00 O ATOM 336 OE2 GLU A 21 15.581 -13.513 13.394 1.00 1.00 O ATOM 0 H GLU A 21 19.545 -12.842 11.298 1.00 1.00 H new ATOM 0 HA GLU A 21 18.131 -10.804 9.782 1.00 1.00 H new ATOM 0 HB2 GLU A 21 16.370 -11.147 11.410 1.00 1.00 H new ATOM 0 HB3 GLU A 21 16.936 -12.700 10.826 1.00 1.00 H new ATOM 0 HG2 GLU A 21 18.094 -13.188 12.844 1.00 1.00 H new ATOM 0 HG3 GLU A 21 18.160 -11.506 13.329 1.00 1.00 H new ATOM 344 N GLY A 22 18.333 -8.779 11.217 1.00 1.00 N ATOM 345 CA GLY A 22 18.660 -7.542 11.904 1.00 1.00 C ATOM 346 C GLY A 22 19.248 -6.515 10.934 1.00 1.00 C ATOM 347 O GLY A 22 19.655 -5.429 11.344 1.00 1.00 O ATOM 0 H GLY A 22 17.672 -8.677 10.447 1.00 1.00 H new ATOM 0 HA2 GLY A 22 17.764 -7.134 12.372 1.00 1.00 H new ATOM 0 HA3 GLY A 22 19.374 -7.743 12.703 1.00 1.00 H new ATOM 351 N HIS A 23 19.274 -6.895 9.665 1.00 1.00 N ATOM 352 CA HIS A 23 19.805 -6.021 8.633 1.00 1.00 C ATOM 353 C HIS A 23 19.584 -6.657 7.259 1.00 1.00 C ATOM 354 O HIS A 23 19.130 -7.796 7.163 1.00 1.00 O ATOM 355 CB HIS A 23 21.273 -5.689 8.904 1.00 1.00 C ATOM 356 CG HIS A 23 22.228 -6.810 8.569 1.00 1.00 C ATOM 357 ND1 HIS A 23 22.364 -7.940 9.357 1.00 1.00 N ATOM 358 CD2 HIS A 23 23.091 -6.964 7.524 1.00 1.00 C ATOM 359 CE1 HIS A 23 23.271 -8.730 8.802 1.00 1.00 C ATOM 360 NE2 HIS A 23 23.721 -8.123 7.666 1.00 1.00 N ATOM 0 H HIS A 23 18.936 -7.796 9.328 1.00 1.00 H new ATOM 0 HA HIS A 23 19.271 -5.071 8.645 1.00 1.00 H new ATOM 0 HB2 HIS A 23 21.548 -4.806 8.326 1.00 1.00 H new ATOM 0 HB3 HIS A 23 21.388 -5.430 9.956 1.00 1.00 H new ATOM 0 HD1 HIS A 23 21.853 -8.132 10.219 1.00 1.00 H new ATOM 0 HD2 HIS A 23 23.237 -6.261 6.717 1.00 1.00 H new ATOM 0 HE1 HIS A 23 23.597 -9.687 9.182 1.00 1.00 H new ATOM 368 N ILE A 24 19.917 -5.893 6.228 1.00 1.00 N ATOM 369 CA ILE A 24 19.761 -6.367 4.864 1.00 1.00 C ATOM 370 C ILE A 24 21.142 -6.528 4.224 1.00 1.00 C ATOM 371 O ILE A 24 22.143 -6.078 4.779 1.00 1.00 O ATOM 372 CB ILE A 24 18.823 -5.447 4.080 1.00 1.00 C ATOM 373 CG1 ILE A 24 19.450 -4.065 3.882 1.00 1.00 C ATOM 374 CG2 ILE A 24 17.451 -5.363 4.751 1.00 1.00 C ATOM 375 CD1 ILE A 24 18.540 -3.165 3.044 1.00 1.00 C ATOM 0 H ILE A 24 20.294 -4.949 6.311 1.00 1.00 H new ATOM 0 HA ILE A 24 19.288 -7.349 4.854 1.00 1.00 H new ATOM 0 HB ILE A 24 18.671 -5.877 3.090 1.00 1.00 H new ATOM 0 HG12 ILE A 24 19.632 -3.602 4.852 1.00 1.00 H new ATOM 0 HG13 ILE A 24 20.418 -4.168 3.391 1.00 1.00 H new ATOM 0 HG21 ILE A 24 16.803 -4.703 4.174 1.00 1.00 H new ATOM 0 HG22 ILE A 24 17.007 -6.357 4.797 1.00 1.00 H new ATOM 0 HG23 ILE A 24 17.563 -4.969 5.761 1.00 1.00 H new ATOM 0 HD11 ILE A 24 19.009 -2.189 2.918 1.00 1.00 H new ATOM 0 HD12 ILE A 24 18.380 -3.619 2.066 1.00 1.00 H new ATOM 0 HD13 ILE A 24 17.582 -3.045 3.550 1.00 1.00 H new ATOM 387 N ALA A 25 21.150 -7.169 3.065 1.00 1.00 N ATOM 388 CA ALA A 25 22.391 -7.394 2.343 1.00 1.00 C ATOM 389 C ALA A 25 23.015 -6.046 1.976 1.00 1.00 C ATOM 390 O ALA A 25 24.237 -5.911 1.949 1.00 1.00 O ATOM 391 CB ALA A 25 22.117 -8.264 1.114 1.00 1.00 C ATOM 0 H ALA A 25 20.317 -7.540 2.608 1.00 1.00 H new ATOM 0 HA ALA A 25 23.106 -7.929 2.968 1.00 1.00 H new ATOM 0 HB1 ALA A 25 23.048 -8.433 0.573 1.00 1.00 H new ATOM 0 HB2 ALA A 25 21.703 -9.221 1.431 1.00 1.00 H new ATOM 0 HB3 ALA A 25 21.405 -7.759 0.462 1.00 1.00 H new ATOM 397 N LYS A 26 22.146 -5.084 1.703 1.00 1.00 N ATOM 398 CA LYS A 26 22.596 -3.751 1.339 1.00 1.00 C ATOM 399 C LYS A 26 23.253 -3.090 2.552 1.00 1.00 C ATOM 400 O LYS A 26 24.009 -2.131 2.407 1.00 1.00 O ATOM 401 CB LYS A 26 21.443 -2.939 0.746 1.00 1.00 C ATOM 402 CG LYS A 26 21.950 -1.630 0.136 1.00 1.00 C ATOM 403 CD LYS A 26 22.071 -1.744 -1.385 1.00 1.00 C ATOM 404 CE LYS A 26 22.129 -0.361 -2.035 1.00 1.00 C ATOM 405 NZ LYS A 26 20.786 0.261 -2.053 1.00 1.00 N ATOM 0 H LYS A 26 21.133 -5.201 1.727 1.00 1.00 H new ATOM 0 HA LYS A 26 23.353 -3.805 0.556 1.00 1.00 H new ATOM 0 HB2 LYS A 26 20.935 -3.527 -0.018 1.00 1.00 H new ATOM 0 HB3 LYS A 26 20.709 -2.722 1.522 1.00 1.00 H new ATOM 0 HG2 LYS A 26 21.268 -0.818 0.390 1.00 1.00 H new ATOM 0 HG3 LYS A 26 22.920 -1.377 0.564 1.00 1.00 H new ATOM 0 HD2 LYS A 26 22.968 -2.308 -1.641 1.00 1.00 H new ATOM 0 HD3 LYS A 26 21.221 -2.300 -1.780 1.00 1.00 H new ATOM 0 HE2 LYS A 26 22.824 0.276 -1.487 1.00 1.00 H new ATOM 0 HE3 LYS A 26 22.510 -0.447 -3.053 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 20.786 1.068 -2.709 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 20.083 -0.439 -2.365 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 20.544 0.592 -1.097 1.00 1.00 H new ATOM 418 N ASN A 27 22.941 -3.629 3.721 1.00 1.00 N ATOM 419 CA ASN A 27 23.492 -3.104 4.959 1.00 1.00 C ATOM 420 C ASN A 27 24.533 -4.083 5.505 1.00 1.00 C ATOM 421 O ASN A 27 24.917 -4.000 6.670 1.00 1.00 O ATOM 422 CB ASN A 27 22.401 -2.934 6.018 1.00 1.00 C ATOM 423 CG ASN A 27 22.251 -1.465 6.420 1.00 1.00 C ATOM 424 OD1 ASN A 27 22.232 -0.568 5.594 1.00 1.00 O ATOM 425 ND2 ASN A 27 22.146 -1.271 7.732 1.00 1.00 N ATOM 0 H ASN A 27 22.313 -4.424 3.837 1.00 1.00 H new ATOM 0 HA ASN A 27 23.941 -2.134 4.744 1.00 1.00 H new ATOM 0 HB2 ASN A 27 21.453 -3.308 5.632 1.00 1.00 H new ATOM 0 HB3 ASN A 27 22.645 -3.532 6.896 1.00 1.00 H new ATOM 0 HD21 ASN A 27 22.042 -0.326 8.101 1.00 1.00 H new ATOM 0 HD22 ASN A 27 22.169 -2.067 8.369 1.00 1.00 H new ATOM 432 N CYS A 28 24.959 -4.989 4.637 1.00 1.00 N ATOM 433 CA CYS A 28 25.948 -5.983 5.018 1.00 1.00 C ATOM 434 C CYS A 28 27.339 -5.402 4.754 1.00 1.00 C ATOM 435 O CYS A 28 27.694 -5.127 3.608 1.00 1.00 O ATOM 436 CB CYS A 28 25.733 -7.306 4.281 1.00 1.00 C ATOM 437 SG CYS A 28 26.667 -8.644 5.111 1.00 1.00 S ATOM 0 H CYS A 28 24.637 -5.055 3.671 1.00 1.00 H new ATOM 0 HA CYS A 28 25.847 -6.213 6.079 1.00 1.00 H new ATOM 0 HB2 CYS A 28 24.671 -7.552 4.260 1.00 1.00 H new ATOM 0 HB3 CYS A 28 26.059 -7.212 3.245 1.00 1.00 H new ATOM 442 N ARG A 29 28.090 -5.233 5.832 1.00 1.00 N ATOM 443 CA ARG A 29 29.434 -4.691 5.732 1.00 1.00 C ATOM 444 C ARG A 29 30.423 -5.792 5.346 1.00 1.00 C ATOM 445 O ARG A 29 31.625 -5.546 5.248 1.00 1.00 O ATOM 446 CB ARG A 29 29.874 -4.060 7.054 1.00 1.00 C ATOM 447 CG ARG A 29 29.871 -5.093 8.182 1.00 1.00 C ATOM 448 CD ARG A 29 30.546 -4.536 9.437 1.00 1.00 C ATOM 449 NE ARG A 29 31.980 -4.283 9.171 1.00 1.00 N ATOM 450 CZ ARG A 29 32.948 -5.217 9.285 1.00 1.00 C ATOM 451 NH1 ARG A 29 32.643 -6.477 9.663 1.00 1.00 N ATOM 452 NH2 ARG A 29 34.197 -4.880 9.022 1.00 1.00 N ATOM 0 H ARG A 29 27.793 -5.462 6.780 1.00 1.00 H new ATOM 0 HA ARG A 29 29.424 -3.920 4.961 1.00 1.00 H new ATOM 0 HB2 ARG A 29 30.873 -3.638 6.945 1.00 1.00 H new ATOM 0 HB3 ARG A 29 29.206 -3.237 7.308 1.00 1.00 H new ATOM 0 HG2 ARG A 29 28.846 -5.381 8.414 1.00 1.00 H new ATOM 0 HG3 ARG A 29 30.389 -5.995 7.856 1.00 1.00 H new ATOM 0 HD2 ARG A 29 30.056 -3.612 9.744 1.00 1.00 H new ATOM 0 HD3 ARG A 29 30.440 -5.242 10.261 1.00 1.00 H new ATOM 0 HE ARG A 29 32.254 -3.344 8.883 1.00 1.00 H new ATOM 0 HH11 ARG A 29 31.675 -6.729 9.865 1.00 1.00 H new ATOM 0 HH12 ARG A 29 33.380 -7.177 9.747 1.00 1.00 H new ATOM 0 HH21 ARG A 29 34.419 -3.926 8.738 1.00 1.00 H new ATOM 0 HH22 ARG A 29 34.940 -5.574 9.103 1.00 1.00 H new ATOM 465 N ALA A 30 29.882 -6.983 5.138 1.00 1.00 N ATOM 466 CA ALA A 30 30.702 -8.123 4.765 1.00 1.00 C ATOM 467 C ALA A 30 30.135 -8.761 3.496 1.00 1.00 C ATOM 468 O ALA A 30 29.274 -9.637 3.568 1.00 1.00 O ATOM 469 CB ALA A 30 30.768 -9.109 5.934 1.00 1.00 C ATOM 0 H ALA A 30 28.885 -7.184 5.221 1.00 1.00 H new ATOM 0 HA ALA A 30 31.722 -7.807 4.547 1.00 1.00 H new ATOM 0 HB1 ALA A 30 31.383 -9.964 5.654 1.00 1.00 H new ATOM 0 HB2 ALA A 30 31.206 -8.616 6.802 1.00 1.00 H new ATOM 0 HB3 ALA A 30 29.762 -9.450 6.179 1.00 1.00 H new ATOM 475 N PRO A 31 30.654 -8.285 2.332 1.00 1.00 N ATOM 476 CA PRO A 31 30.208 -8.800 1.048 1.00 1.00 C ATOM 477 C PRO A 31 30.792 -10.189 0.781 1.00 1.00 C ATOM 478 O PRO A 31 30.051 -11.156 0.614 1.00 1.00 O ATOM 479 CB PRO A 31 30.655 -7.762 0.032 1.00 1.00 C ATOM 480 CG PRO A 31 31.733 -6.941 0.721 1.00 1.00 C ATOM 481 CD PRO A 31 31.674 -7.249 2.208 1.00 1.00 C ATOM 0 HA PRO A 31 29.128 -8.942 1.004 1.00 1.00 H new ATOM 0 HB2 PRO A 31 31.043 -8.239 -0.868 1.00 1.00 H new ATOM 0 HB3 PRO A 31 29.821 -7.132 -0.275 1.00 1.00 H new ATOM 0 HG2 PRO A 31 32.716 -7.187 0.319 1.00 1.00 H new ATOM 0 HG3 PRO A 31 31.574 -5.877 0.545 1.00 1.00 H new ATOM 0 HD2 PRO A 31 32.638 -7.596 2.579 1.00 1.00 H new ATOM 0 HD3 PRO A 31 31.411 -6.363 2.786 1.00 1.00 H new ATOM 489 N ARG A 32 32.116 -10.242 0.750 1.00 1.00 N ATOM 490 CA ARG A 32 32.808 -11.496 0.506 1.00 1.00 C ATOM 491 C ARG A 32 32.259 -12.170 -0.753 1.00 1.00 C ATOM 492 O ARG A 32 31.367 -13.013 -0.672 1.00 1.00 O ATOM 493 CB ARG A 32 32.656 -12.450 1.693 1.00 1.00 C ATOM 494 CG ARG A 32 33.679 -12.132 2.786 1.00 1.00 C ATOM 495 CD ARG A 32 33.243 -12.716 4.131 1.00 1.00 C ATOM 496 NE ARG A 32 33.078 -14.182 4.018 1.00 1.00 N ATOM 497 CZ ARG A 32 34.104 -15.059 3.989 1.00 1.00 C ATOM 498 NH1 ARG A 32 35.380 -14.623 4.065 1.00 1.00 N ATOM 499 NH2 ARG A 32 33.841 -16.348 3.885 1.00 1.00 N ATOM 0 H ARG A 32 32.727 -9.437 0.890 1.00 1.00 H new ATOM 0 HA ARG A 32 33.865 -11.269 0.369 1.00 1.00 H new ATOM 0 HB2 ARG A 32 31.648 -12.372 2.100 1.00 1.00 H new ATOM 0 HB3 ARG A 32 32.786 -13.479 1.357 1.00 1.00 H new ATOM 0 HG2 ARG A 32 34.652 -12.537 2.508 1.00 1.00 H new ATOM 0 HG3 ARG A 32 33.797 -11.052 2.875 1.00 1.00 H new ATOM 0 HD2 ARG A 32 33.985 -12.483 4.895 1.00 1.00 H new ATOM 0 HD3 ARG A 32 32.305 -12.260 4.448 1.00 1.00 H new ATOM 0 HE ARG A 32 32.130 -14.553 3.958 1.00 1.00 H new ATOM 0 HH11 ARG A 32 35.574 -13.625 4.145 1.00 1.00 H new ATOM 0 HH12 ARG A 32 36.150 -15.292 4.042 1.00 1.00 H new ATOM 0 HH21 ARG A 32 32.874 -16.668 3.828 1.00 1.00 H new ATOM 0 HH22 ARG A 32 34.604 -17.024 3.862 1.00 1.00 H new ATOM 512 N LYS A 33 32.815 -11.772 -1.888 1.00 1.00 N ATOM 513 CA LYS A 33 32.392 -12.326 -3.163 1.00 1.00 C ATOM 514 C LYS A 33 33.340 -11.845 -4.263 1.00 1.00 C ATOM 515 O LYS A 33 32.970 -11.006 -5.083 1.00 1.00 O ATOM 516 CB LYS A 33 30.922 -11.996 -3.430 1.00 1.00 C ATOM 517 CG LYS A 33 30.403 -12.755 -4.653 1.00 1.00 C ATOM 518 CD LYS A 33 29.146 -13.556 -4.307 1.00 1.00 C ATOM 519 CE LYS A 33 29.510 -14.894 -3.660 1.00 1.00 C ATOM 520 NZ LYS A 33 28.999 -14.954 -2.272 1.00 1.00 N ATOM 0 H LYS A 33 33.555 -11.073 -1.951 1.00 1.00 H new ATOM 0 HA LYS A 33 32.452 -13.414 -3.144 1.00 1.00 H new ATOM 0 HB2 LYS A 33 30.323 -12.254 -2.556 1.00 1.00 H new ATOM 0 HB3 LYS A 33 30.809 -10.923 -3.588 1.00 1.00 H new ATOM 0 HG2 LYS A 33 30.181 -12.051 -5.455 1.00 1.00 H new ATOM 0 HG3 LYS A 33 31.177 -13.427 -5.024 1.00 1.00 H new ATOM 0 HD2 LYS A 33 28.518 -12.979 -3.629 1.00 1.00 H new ATOM 0 HD3 LYS A 33 28.562 -13.732 -5.210 1.00 1.00 H new ATOM 0 HE2 LYS A 33 29.091 -15.713 -4.244 1.00 1.00 H new ATOM 0 HE3 LYS A 33 30.592 -15.023 -3.661 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 29.254 -15.868 -1.847 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 29.419 -14.183 -1.714 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 27.964 -14.852 -2.278 1.00 1.00 H new ATOM 533 N LYS A 34 34.545 -12.397 -4.245 1.00 1.00 N ATOM 534 CA LYS A 34 35.549 -12.035 -5.231 1.00 1.00 C ATOM 535 C LYS A 34 34.969 -12.219 -6.635 1.00 1.00 C ATOM 536 O LYS A 34 33.882 -12.773 -6.794 1.00 1.00 O ATOM 537 CB LYS A 34 36.841 -12.818 -4.992 1.00 1.00 C ATOM 538 CG LYS A 34 36.653 -14.300 -5.320 1.00 1.00 C ATOM 539 CD LYS A 34 37.445 -15.181 -4.351 1.00 1.00 C ATOM 540 CE LYS A 34 38.948 -15.078 -4.622 1.00 1.00 C ATOM 541 NZ LYS A 34 39.307 -15.834 -5.843 1.00 1.00 N ATOM 0 H LYS A 34 34.848 -13.092 -3.563 1.00 1.00 H new ATOM 0 HA LYS A 34 35.818 -10.983 -5.132 1.00 1.00 H new ATOM 0 HB2 LYS A 34 37.640 -12.404 -5.607 1.00 1.00 H new ATOM 0 HB3 LYS A 34 37.150 -12.708 -3.952 1.00 1.00 H new ATOM 0 HG2 LYS A 34 35.595 -14.556 -5.268 1.00 1.00 H new ATOM 0 HG3 LYS A 34 36.978 -14.494 -6.342 1.00 1.00 H new ATOM 0 HD2 LYS A 34 37.235 -14.879 -3.325 1.00 1.00 H new ATOM 0 HD3 LYS A 34 37.124 -16.218 -4.451 1.00 1.00 H new ATOM 0 HE2 LYS A 34 39.232 -14.032 -4.738 1.00 1.00 H new ATOM 0 HE3 LYS A 34 39.505 -15.467 -3.769 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 40.342 -15.897 -5.920 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 38.905 -16.791 -5.789 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 38.927 -15.345 -6.678 1.00 1.00 H new ATOM 554 N GLY A 35 35.719 -11.744 -7.618 1.00 1.00 N ATOM 555 CA GLY A 35 35.293 -11.849 -9.003 1.00 1.00 C ATOM 556 C GLY A 35 35.093 -10.465 -9.622 1.00 1.00 C ATOM 557 O GLY A 35 35.352 -9.449 -8.978 1.00 1.00 O ATOM 0 H GLY A 35 36.620 -11.285 -7.483 1.00 1.00 H new ATOM 0 HA2 GLY A 35 36.037 -12.403 -9.575 1.00 1.00 H new ATOM 0 HA3 GLY A 35 34.363 -12.414 -9.059 1.00 1.00 H new ATOM 561 N CYS A 36 34.634 -10.468 -10.865 1.00 1.00 N ATOM 562 CA CYS A 36 34.396 -9.225 -11.578 1.00 1.00 C ATOM 563 C CYS A 36 33.047 -8.661 -11.125 1.00 1.00 C ATOM 564 O CYS A 36 32.004 -9.266 -11.371 1.00 1.00 O ATOM 565 CB CYS A 36 34.452 -9.423 -13.094 1.00 1.00 C ATOM 566 SG CYS A 36 34.461 -7.799 -13.938 1.00 1.00 S ATOM 0 H CYS A 36 34.421 -11.312 -11.396 1.00 1.00 H new ATOM 0 HA CYS A 36 35.185 -8.511 -11.342 1.00 1.00 H new ATOM 0 HB2 CYS A 36 35.346 -9.987 -13.363 1.00 1.00 H new ATOM 0 HB3 CYS A 36 33.594 -10.009 -13.424 1.00 1.00 H new ATOM 571 N TRP A 37 33.112 -7.510 -10.472 1.00 1.00 N ATOM 572 CA TRP A 37 31.909 -6.859 -9.983 1.00 1.00 C ATOM 573 C TRP A 37 31.411 -5.906 -11.071 1.00 1.00 C ATOM 574 O TRP A 37 30.567 -5.049 -10.813 1.00 1.00 O ATOM 575 CB TRP A 37 32.169 -6.158 -8.648 1.00 1.00 C ATOM 576 CG TRP A 37 30.941 -6.075 -7.739 1.00 1.00 C ATOM 577 CD1 TRP A 37 30.402 -7.046 -6.990 1.00 1.00 C ATOM 578 CD2 TRP A 37 30.117 -4.912 -7.512 1.00 1.00 C ATOM 579 NE1 TRP A 37 29.295 -6.597 -6.300 1.00 1.00 N ATOM 580 CE2 TRP A 37 29.116 -5.258 -6.627 1.00 1.00 C ATOM 581 CE3 TRP A 37 30.215 -3.611 -8.036 1.00 1.00 C ATOM 582 CZ2 TRP A 37 28.136 -4.359 -6.190 1.00 1.00 C ATOM 583 CZ3 TRP A 37 29.227 -2.725 -7.589 1.00 1.00 C ATOM 584 CH2 TRP A 37 28.213 -3.057 -6.699 1.00 1.00 C ATOM 0 H TRP A 37 33.979 -7.012 -10.270 1.00 1.00 H new ATOM 0 HA TRP A 37 31.129 -7.593 -9.780 1.00 1.00 H new ATOM 0 HB2 TRP A 37 32.964 -6.686 -8.121 1.00 1.00 H new ATOM 0 HB3 TRP A 37 32.532 -5.149 -8.844 1.00 1.00 H new ATOM 0 HD1 TRP A 37 30.786 -8.054 -6.933 1.00 1.00 H new ATOM 0 HE1 TRP A 37 28.715 -7.147 -5.666 1.00 1.00 H new ATOM 0 HE3 TRP A 37 30.991 -3.318 -8.728 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 27.362 -4.654 -5.497 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 29.255 -1.712 -7.962 1.00 1.00 H new ATOM 0 HH2 TRP A 37 27.488 -2.314 -6.401 1.00 1.00 H new ATOM 595 N LYS A 38 31.955 -6.088 -12.266 1.00 1.00 N ATOM 596 CA LYS A 38 31.576 -5.255 -13.395 1.00 1.00 C ATOM 597 C LYS A 38 30.653 -6.048 -14.322 1.00 1.00 C ATOM 598 O LYS A 38 29.641 -5.528 -14.790 1.00 1.00 O ATOM 599 CB LYS A 38 32.820 -4.701 -14.093 1.00 1.00 C ATOM 600 CG LYS A 38 32.479 -3.457 -14.916 1.00 1.00 C ATOM 601 CD LYS A 38 33.694 -2.977 -15.713 1.00 1.00 C ATOM 602 CE LYS A 38 33.788 -3.700 -17.057 1.00 1.00 C ATOM 603 NZ LYS A 38 35.167 -3.629 -17.588 1.00 1.00 N ATOM 0 H LYS A 38 32.655 -6.800 -12.477 1.00 1.00 H new ATOM 0 HA LYS A 38 31.015 -4.385 -13.055 1.00 1.00 H new ATOM 0 HB2 LYS A 38 33.578 -4.453 -13.350 1.00 1.00 H new ATOM 0 HB3 LYS A 38 33.248 -5.465 -14.742 1.00 1.00 H new ATOM 0 HG2 LYS A 38 31.658 -3.681 -15.597 1.00 1.00 H new ATOM 0 HG3 LYS A 38 32.136 -2.662 -14.254 1.00 1.00 H new ATOM 0 HD2 LYS A 38 33.623 -1.902 -15.878 1.00 1.00 H new ATOM 0 HD3 LYS A 38 34.603 -3.152 -15.138 1.00 1.00 H new ATOM 0 HE2 LYS A 38 33.491 -4.742 -16.938 1.00 1.00 H new ATOM 0 HE3 LYS A 38 33.095 -3.250 -17.768 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 35.160 -3.146 -18.509 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 35.768 -3.100 -16.924 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 35.544 -4.591 -17.705 1.00 1.00 H new ATOM 616 N CYS A 39 31.035 -7.295 -14.559 1.00 1.00 N ATOM 617 CA CYS A 39 30.253 -8.165 -15.421 1.00 1.00 C ATOM 618 C CYS A 39 29.565 -9.215 -14.547 1.00 1.00 C ATOM 619 O CYS A 39 28.532 -9.764 -14.928 1.00 1.00 O ATOM 620 CB CYS A 39 31.117 -8.805 -16.510 1.00 1.00 C ATOM 621 SG CYS A 39 32.568 -9.627 -15.756 1.00 1.00 S ATOM 0 H CYS A 39 31.875 -7.723 -14.169 1.00 1.00 H new ATOM 0 HA CYS A 39 29.498 -7.580 -15.945 1.00 1.00 H new ATOM 0 HB2 CYS A 39 30.529 -9.531 -17.072 1.00 1.00 H new ATOM 0 HB3 CYS A 39 31.447 -8.045 -17.218 1.00 1.00 H new ATOM 626 N GLY A 40 30.166 -9.464 -13.393 1.00 1.00 N ATOM 627 CA GLY A 40 29.624 -10.439 -12.462 1.00 1.00 C ATOM 628 C GLY A 40 30.349 -11.780 -12.589 1.00 1.00 C ATOM 629 O GLY A 40 30.159 -12.673 -11.764 1.00 1.00 O ATOM 0 H GLY A 40 31.023 -9.007 -13.081 1.00 1.00 H new ATOM 0 HA2 GLY A 40 29.719 -10.065 -11.442 1.00 1.00 H new ATOM 0 HA3 GLY A 40 28.560 -10.577 -12.653 1.00 1.00 H new ATOM 633 N LYS A 41 31.165 -11.880 -13.628 1.00 1.00 N ATOM 634 CA LYS A 41 31.919 -13.097 -13.874 1.00 1.00 C ATOM 635 C LYS A 41 32.852 -13.361 -12.690 1.00 1.00 C ATOM 636 O LYS A 41 33.854 -12.669 -12.519 1.00 1.00 O ATOM 637 CB LYS A 41 32.641 -13.017 -15.220 1.00 1.00 C ATOM 638 CG LYS A 41 32.514 -14.334 -15.989 1.00 1.00 C ATOM 639 CD LYS A 41 31.410 -14.248 -17.045 1.00 1.00 C ATOM 640 CE LYS A 41 30.217 -15.127 -16.664 1.00 1.00 C ATOM 641 NZ LYS A 41 29.212 -14.342 -15.913 1.00 1.00 N ATOM 0 H LYS A 41 31.320 -11.137 -14.310 1.00 1.00 H new ATOM 0 HA LYS A 41 31.248 -13.953 -13.949 1.00 1.00 H new ATOM 0 HB2 LYS A 41 32.223 -12.204 -15.813 1.00 1.00 H new ATOM 0 HB3 LYS A 41 33.694 -12.786 -15.059 1.00 1.00 H new ATOM 0 HG2 LYS A 41 33.463 -14.572 -16.469 1.00 1.00 H new ATOM 0 HG3 LYS A 41 32.296 -15.145 -15.295 1.00 1.00 H new ATOM 0 HD2 LYS A 41 31.084 -13.213 -17.152 1.00 1.00 H new ATOM 0 HD3 LYS A 41 31.802 -14.561 -18.013 1.00 1.00 H new ATOM 0 HE2 LYS A 41 29.763 -15.544 -17.563 1.00 1.00 H new ATOM 0 HE3 LYS A 41 30.556 -15.968 -16.059 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 28.719 -14.963 -15.240 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 29.687 -13.576 -15.394 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 28.523 -13.935 -16.577 1.00 1.00 H new ATOM 654 N GLU A 42 32.489 -14.363 -11.904 1.00 1.00 N ATOM 655 CA GLU A 42 33.281 -14.727 -10.741 1.00 1.00 C ATOM 656 C GLU A 42 34.491 -15.564 -11.164 1.00 1.00 C ATOM 657 O GLU A 42 34.430 -16.792 -11.166 1.00 1.00 O ATOM 658 CB GLU A 42 32.431 -15.474 -9.711 1.00 1.00 C ATOM 659 CG GLU A 42 31.834 -16.748 -10.312 1.00 1.00 C ATOM 660 CD GLU A 42 30.308 -16.660 -10.378 1.00 1.00 C ATOM 661 OE1 GLU A 42 29.748 -16.398 -11.453 1.00 1.00 O ATOM 662 OE2 GLU A 42 29.701 -16.876 -9.261 1.00 1.00 O ATOM 0 H GLU A 42 31.657 -14.935 -12.049 1.00 1.00 H new ATOM 0 HA GLU A 42 33.642 -13.812 -10.271 1.00 1.00 H new ATOM 0 HB2 GLU A 42 33.043 -15.728 -8.845 1.00 1.00 H new ATOM 0 HB3 GLU A 42 31.630 -14.825 -9.356 1.00 1.00 H new ATOM 0 HG2 GLU A 42 32.236 -16.905 -11.313 1.00 1.00 H new ATOM 0 HG3 GLU A 42 32.127 -17.609 -9.712 1.00 1.00 H new ATOM 670 N GLY A 43 35.561 -14.864 -11.511 1.00 1.00 N ATOM 671 CA GLY A 43 36.783 -15.527 -11.935 1.00 1.00 C ATOM 672 C GLY A 43 37.857 -14.506 -12.315 1.00 1.00 C ATOM 673 O GLY A 43 38.951 -14.512 -11.753 1.00 1.00 O ATOM 0 H GLY A 43 35.607 -13.845 -11.507 1.00 1.00 H new ATOM 0 HA2 GLY A 43 37.151 -16.166 -11.133 1.00 1.00 H new ATOM 0 HA3 GLY A 43 36.573 -16.174 -12.787 1.00 1.00 H new ATOM 677 N HIS A 44 37.507 -13.652 -13.266 1.00 1.00 N ATOM 678 CA HIS A 44 38.427 -12.627 -13.727 1.00 1.00 C ATOM 679 C HIS A 44 38.241 -11.357 -12.895 1.00 1.00 C ATOM 680 O HIS A 44 37.194 -11.163 -12.279 1.00 1.00 O ATOM 681 CB HIS A 44 38.259 -12.382 -15.228 1.00 1.00 C ATOM 682 CG HIS A 44 37.019 -11.598 -15.587 1.00 1.00 C ATOM 683 ND1 HIS A 44 35.986 -12.131 -16.337 1.00 1.00 N ATOM 684 CD2 HIS A 44 36.659 -10.316 -15.291 1.00 1.00 C ATOM 685 CE1 HIS A 44 35.051 -11.204 -16.481 1.00 1.00 C ATOM 686 NE2 HIS A 44 35.470 -10.079 -15.832 1.00 1.00 N ATOM 0 H HIS A 44 36.598 -13.649 -13.730 1.00 1.00 H new ATOM 0 HA HIS A 44 39.454 -12.965 -13.585 1.00 1.00 H new ATOM 0 HB2 HIS A 44 39.134 -11.848 -15.599 1.00 1.00 H new ATOM 0 HB3 HIS A 44 38.230 -13.343 -15.742 1.00 1.00 H new ATOM 0 HD1 HIS A 44 35.950 -13.078 -16.715 1.00 1.00 H new ATOM 0 HD2 HIS A 44 37.242 -9.613 -14.714 1.00 1.00 H new ATOM 0 HE1 HIS A 44 34.121 -11.318 -17.018 1.00 1.00 H new ATOM 694 N GLN A 45 39.272 -10.526 -12.902 1.00 1.00 N ATOM 695 CA GLN A 45 39.235 -9.281 -12.155 1.00 1.00 C ATOM 696 C GLN A 45 38.993 -8.102 -13.101 1.00 1.00 C ATOM 697 O GLN A 45 39.028 -8.262 -14.320 1.00 1.00 O ATOM 698 CB GLN A 45 40.523 -9.084 -11.353 1.00 1.00 C ATOM 699 CG GLN A 45 41.022 -10.414 -10.783 1.00 1.00 C ATOM 700 CD GLN A 45 41.798 -10.196 -9.482 1.00 1.00 C ATOM 701 OE1 GLN A 45 41.399 -10.624 -8.412 1.00 1.00 O ATOM 702 NE2 GLN A 45 42.926 -9.508 -9.635 1.00 1.00 N ATOM 0 H GLN A 45 40.139 -10.691 -13.414 1.00 1.00 H new ATOM 0 HA GLN A 45 38.408 -9.330 -11.446 1.00 1.00 H new ATOM 0 HB2 GLN A 45 41.290 -8.647 -11.992 1.00 1.00 H new ATOM 0 HB3 GLN A 45 40.346 -8.379 -10.540 1.00 1.00 H new ATOM 0 HG2 GLN A 45 40.175 -11.076 -10.599 1.00 1.00 H new ATOM 0 HG3 GLN A 45 41.661 -10.910 -11.513 1.00 1.00 H new ATOM 0 HE21 GLN A 45 43.201 -9.179 -10.560 1.00 1.00 H new ATOM 0 HE22 GLN A 45 43.516 -9.310 -8.827 1.00 1.00 H new ATOM 711 N MET A 46 38.754 -6.944 -12.502 1.00 1.00 N ATOM 712 CA MET A 46 38.506 -5.739 -13.275 1.00 1.00 C ATOM 713 C MET A 46 39.682 -5.433 -14.205 1.00 1.00 C ATOM 714 O MET A 46 39.483 -5.042 -15.354 1.00 1.00 O ATOM 715 CB MET A 46 38.285 -4.560 -12.326 1.00 1.00 C ATOM 716 CG MET A 46 39.477 -4.386 -11.382 1.00 1.00 C ATOM 717 SD MET A 46 40.638 -3.219 -12.072 1.00 1.00 S ATOM 718 CE MET A 46 41.835 -3.153 -10.750 1.00 1.00 C ATOM 0 H MET A 46 38.727 -6.815 -11.491 1.00 1.00 H new ATOM 0 HA MET A 46 37.616 -5.897 -13.885 1.00 1.00 H new ATOM 0 HB2 MET A 46 38.137 -3.647 -12.903 1.00 1.00 H new ATOM 0 HB3 MET A 46 37.377 -4.721 -11.745 1.00 1.00 H new ATOM 0 HG2 MET A 46 39.132 -4.036 -10.409 1.00 1.00 H new ATOM 0 HG3 MET A 46 39.967 -5.346 -11.221 1.00 1.00 H new ATOM 0 HE1 MET A 46 42.671 -2.520 -11.047 1.00 1.00 H new ATOM 0 HE2 MET A 46 41.367 -2.741 -9.856 1.00 1.00 H new ATOM 0 HE3 MET A 46 42.199 -4.158 -10.538 1.00 1.00 H new ATOM 728 N LYS A 47 40.880 -5.624 -13.674 1.00 1.00 N ATOM 729 CA LYS A 47 42.088 -5.373 -14.442 1.00 1.00 C ATOM 730 C LYS A 47 42.185 -6.392 -15.579 1.00 1.00 C ATOM 731 O LYS A 47 42.895 -6.170 -16.559 1.00 1.00 O ATOM 732 CB LYS A 47 43.313 -5.357 -13.525 1.00 1.00 C ATOM 733 CG LYS A 47 44.452 -4.547 -14.147 1.00 1.00 C ATOM 734 CD LYS A 47 45.372 -5.444 -14.978 1.00 1.00 C ATOM 735 CE LYS A 47 46.761 -4.819 -15.124 1.00 1.00 C ATOM 736 NZ LYS A 47 46.697 -3.604 -15.966 1.00 1.00 N ATOM 0 H LYS A 47 41.041 -5.950 -12.721 1.00 1.00 H new ATOM 0 HA LYS A 47 42.049 -4.385 -14.901 1.00 1.00 H new ATOM 0 HB2 LYS A 47 43.043 -4.930 -12.559 1.00 1.00 H new ATOM 0 HB3 LYS A 47 43.647 -6.378 -13.340 1.00 1.00 H new ATOM 0 HG2 LYS A 47 44.040 -3.759 -14.777 1.00 1.00 H new ATOM 0 HG3 LYS A 47 45.028 -4.059 -13.361 1.00 1.00 H new ATOM 0 HD2 LYS A 47 45.457 -6.422 -14.504 1.00 1.00 H new ATOM 0 HD3 LYS A 47 44.936 -5.604 -15.964 1.00 1.00 H new ATOM 0 HE2 LYS A 47 47.158 -4.567 -14.141 1.00 1.00 H new ATOM 0 HE3 LYS A 47 47.446 -5.541 -15.568 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 47.655 -3.221 -16.097 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 46.291 -3.845 -16.893 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 46.100 -2.891 -15.501 1.00 1.00 H new ATOM 749 N ASP A 48 41.460 -7.489 -15.411 1.00 1.00 N ATOM 750 CA ASP A 48 41.456 -8.543 -16.411 1.00 1.00 C ATOM 751 C ASP A 48 40.053 -8.667 -17.009 1.00 1.00 C ATOM 752 O ASP A 48 39.737 -9.661 -17.661 1.00 1.00 O ATOM 753 CB ASP A 48 41.826 -9.892 -15.792 1.00 1.00 C ATOM 754 CG ASP A 48 42.837 -10.715 -16.592 1.00 1.00 C ATOM 755 OD1 ASP A 48 42.467 -11.471 -17.503 1.00 1.00 O ATOM 756 OD2 ASP A 48 44.069 -10.556 -16.243 1.00 1.00 O ATOM 0 H ASP A 48 40.872 -7.670 -14.598 1.00 1.00 H new ATOM 0 HA ASP A 48 42.188 -8.284 -17.176 1.00 1.00 H new ATOM 0 HB2 ASP A 48 42.230 -9.718 -14.794 1.00 1.00 H new ATOM 0 HB3 ASP A 48 40.917 -10.480 -15.670 1.00 1.00 H new ATOM 762 N CYS A 49 39.247 -7.644 -16.764 1.00 1.00 N ATOM 763 CA CYS A 49 37.885 -7.626 -17.270 1.00 1.00 C ATOM 764 C CYS A 49 37.934 -7.338 -18.772 1.00 1.00 C ATOM 765 O CYS A 49 38.258 -8.220 -19.566 1.00 1.00 O ATOM 766 CB CYS A 49 37.018 -6.611 -16.523 1.00 1.00 C ATOM 767 SG CYS A 49 35.364 -6.508 -17.301 1.00 1.00 S ATOM 0 H CYS A 49 39.511 -6.822 -16.222 1.00 1.00 H new ATOM 0 HA CYS A 49 37.419 -8.597 -17.102 1.00 1.00 H new ATOM 0 HB2 CYS A 49 36.920 -6.904 -15.478 1.00 1.00 H new ATOM 0 HB3 CYS A 49 37.497 -5.632 -16.536 1.00 1.00 H new ATOM 772 N THR A 50 37.608 -6.101 -19.116 1.00 1.00 N ATOM 773 CA THR A 50 37.611 -5.686 -20.509 1.00 1.00 C ATOM 774 C THR A 50 36.441 -6.327 -21.258 1.00 1.00 C ATOM 775 O THR A 50 36.310 -6.161 -22.470 1.00 1.00 O ATOM 776 CB THR A 50 38.977 -6.034 -21.103 1.00 1.00 C ATOM 777 OG1 THR A 50 39.899 -5.720 -20.063 1.00 1.00 O ATOM 778 CG2 THR A 50 39.374 -5.099 -22.247 1.00 1.00 C ATOM 0 H THR A 50 37.340 -5.372 -18.454 1.00 1.00 H new ATOM 0 HA THR A 50 37.465 -4.610 -20.602 1.00 1.00 H new ATOM 0 HB THR A 50 38.964 -7.063 -21.463 1.00 1.00 H new ATOM 0 HG1 THR A 50 40.811 -5.918 -20.363 1.00 1.00 H new ATOM 0 HG21 THR A 50 40.351 -5.390 -22.632 1.00 1.00 H new ATOM 0 HG22 THR A 50 38.635 -5.166 -23.045 1.00 1.00 H new ATOM 0 HG23 THR A 50 39.420 -4.074 -21.880 1.00 1.00 H new ATOM 786 N GLU A 51 35.621 -7.047 -20.506 1.00 1.00 N ATOM 787 CA GLU A 51 34.467 -7.713 -21.084 1.00 1.00 C ATOM 788 C GLU A 51 33.174 -7.129 -20.511 1.00 1.00 C ATOM 789 O GLU A 51 32.433 -7.820 -19.814 1.00 1.00 O ATOM 790 CB GLU A 51 34.535 -9.224 -20.856 1.00 1.00 C ATOM 791 CG GLU A 51 35.171 -9.932 -22.054 1.00 1.00 C ATOM 792 CD GLU A 51 34.125 -10.237 -23.129 1.00 1.00 C ATOM 793 OE1 GLU A 51 33.903 -11.410 -23.463 1.00 1.00 O ATOM 794 OE2 GLU A 51 33.533 -9.202 -23.621 1.00 1.00 O ATOM 0 H GLU A 51 35.733 -7.183 -19.501 1.00 1.00 H new ATOM 0 HA GLU A 51 34.474 -7.541 -22.160 1.00 1.00 H new ATOM 0 HB2 GLU A 51 35.113 -9.434 -19.956 1.00 1.00 H new ATOM 0 HB3 GLU A 51 33.532 -9.615 -20.689 1.00 1.00 H new ATOM 0 HG2 GLU A 51 35.958 -9.307 -22.475 1.00 1.00 H new ATOM 0 HG3 GLU A 51 35.641 -10.859 -21.726 1.00 1.00 H new ATOM 802 N ARG A 52 32.944 -5.863 -20.825 1.00 1.00 N ATOM 803 CA ARG A 52 31.754 -5.178 -20.350 1.00 1.00 C ATOM 804 C ARG A 52 30.499 -5.818 -20.947 1.00 1.00 C ATOM 805 O ARG A 52 29.449 -5.851 -20.307 1.00 1.00 O ATOM 806 CB ARG A 52 31.787 -3.694 -20.720 1.00 1.00 C ATOM 807 CG ARG A 52 32.249 -3.500 -22.166 1.00 1.00 C ATOM 808 CD ARG A 52 31.292 -2.583 -22.929 1.00 1.00 C ATOM 809 NE ARG A 52 31.933 -2.108 -24.176 1.00 1.00 N ATOM 810 CZ ARG A 52 31.296 -1.396 -25.130 1.00 1.00 C ATOM 811 NH1 ARG A 52 29.993 -1.071 -24.988 1.00 1.00 N ATOM 812 NH2 ARG A 52 31.966 -1.024 -26.205 1.00 1.00 N ATOM 0 H ARG A 52 33.562 -5.293 -21.403 1.00 1.00 H new ATOM 0 HA ARG A 52 31.731 -5.269 -19.264 1.00 1.00 H new ATOM 0 HB2 ARG A 52 30.795 -3.261 -20.590 1.00 1.00 H new ATOM 0 HB3 ARG A 52 32.458 -3.162 -20.045 1.00 1.00 H new ATOM 0 HG2 ARG A 52 33.252 -3.074 -22.177 1.00 1.00 H new ATOM 0 HG3 ARG A 52 32.308 -4.467 -22.666 1.00 1.00 H new ATOM 0 HD2 ARG A 52 30.372 -3.118 -23.164 1.00 1.00 H new ATOM 0 HD3 ARG A 52 31.015 -1.733 -22.306 1.00 1.00 H new ATOM 0 HE ARG A 52 32.917 -2.333 -24.324 1.00 1.00 H new ATOM 0 HH11 ARG A 52 29.482 -1.364 -24.155 1.00 1.00 H new ATOM 0 HH12 ARG A 52 29.520 -0.533 -25.714 1.00 1.00 H new ATOM 0 HH21 ARG A 52 32.950 -1.275 -26.305 1.00 1.00 H new ATOM 0 HH22 ARG A 52 31.500 -0.486 -26.935 1.00 1.00 H new ATOM 825 N GLN A 53 30.649 -6.311 -22.168 1.00 1.00 N ATOM 826 CA GLN A 53 29.541 -6.948 -22.859 1.00 1.00 C ATOM 827 C GLN A 53 28.480 -5.910 -23.232 1.00 1.00 C ATOM 828 O GLN A 53 28.222 -5.677 -24.412 1.00 1.00 O ATOM 829 CB GLN A 53 28.936 -8.068 -22.010 1.00 1.00 C ATOM 830 CG GLN A 53 27.902 -8.864 -22.809 1.00 1.00 C ATOM 831 CD GLN A 53 28.582 -9.788 -23.820 1.00 1.00 C ATOM 832 OE1 GLN A 53 29.209 -9.355 -24.772 1.00 1.00 O ATOM 833 NE2 GLN A 53 28.425 -11.083 -23.560 1.00 1.00 N ATOM 0 H GLN A 53 31.521 -6.282 -22.696 1.00 1.00 H new ATOM 0 HA GLN A 53 29.921 -7.397 -23.777 1.00 1.00 H new ATOM 0 HB2 GLN A 53 29.726 -8.735 -21.665 1.00 1.00 H new ATOM 0 HB3 GLN A 53 28.467 -7.643 -21.122 1.00 1.00 H new ATOM 0 HG2 GLN A 53 27.287 -9.453 -22.129 1.00 1.00 H new ATOM 0 HG3 GLN A 53 27.234 -8.178 -23.330 1.00 1.00 H new ATOM 0 HE21 GLN A 53 27.887 -11.378 -22.745 1.00 1.00 H new ATOM 0 HE22 GLN A 53 28.842 -11.781 -24.176 1.00 1.00 H new ATOM 842 N ALA A 54 27.895 -5.312 -22.204 1.00 1.00 N ATOM 843 CA ALA A 54 26.869 -4.305 -22.409 1.00 1.00 C ATOM 844 C ALA A 54 25.546 -4.992 -22.751 1.00 1.00 C ATOM 845 O ALA A 54 24.587 -4.918 -21.984 1.00 1.00 O ATOM 846 CB ALA A 54 27.320 -3.332 -23.501 1.00 1.00 C ATOM 0 H ALA A 54 28.113 -5.506 -21.227 1.00 1.00 H new ATOM 0 HA ALA A 54 26.713 -3.725 -21.499 1.00 1.00 H new ATOM 0 HB1 ALA A 54 26.550 -2.576 -23.655 1.00 1.00 H new ATOM 0 HB2 ALA A 54 28.248 -2.848 -23.197 1.00 1.00 H new ATOM 0 HB3 ALA A 54 27.483 -3.878 -24.430 1.00 1.00 H new ATOM 852 N ASN A 55 25.536 -5.646 -23.904 1.00 1.00 N ATOM 853 CA ASN A 55 24.346 -6.346 -24.357 1.00 1.00 C ATOM 854 C ASN A 55 24.261 -7.704 -23.657 1.00 1.00 C ATOM 855 O ASN A 55 24.499 -7.802 -22.455 1.00 1.00 O ATOM 856 CB ASN A 55 24.394 -6.594 -25.866 1.00 1.00 C ATOM 857 CG ASN A 55 25.574 -7.494 -26.237 1.00 1.00 C ATOM 858 OD1 ASN A 55 26.383 -7.874 -25.406 1.00 1.00 O ATOM 859 ND2 ASN A 55 25.628 -7.812 -27.527 1.00 1.00 N ATOM 0 H ASN A 55 26.333 -5.706 -24.538 1.00 1.00 H new ATOM 0 HA ASN A 55 23.480 -5.727 -24.121 1.00 1.00 H new ATOM 0 HB2 ASN A 55 23.463 -7.057 -26.192 1.00 1.00 H new ATOM 0 HB3 ASN A 55 24.478 -5.643 -26.392 1.00 1.00 H new ATOM 0 HD21 ASN A 55 26.379 -8.408 -27.874 1.00 1.00 H new ATOM 0 HD22 ASN A 55 24.918 -7.460 -28.169 1.00 1.00 H new TER 866 ASN A 55 HETATM 867 ZN ZN A 56 24.966 -9.284 6.525 1.00 1.00 ZN HETATM 868 ZN ZN A 57 34.478 -8.341 -16.224 1.00 1.00 ZN