USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 432 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 Set 1.1: A 23 ASN : amide:sc= -2.29! C(o=-1.6!,f=-5.1!) USER MOD Set 1.2: A 47 THR OG1 : rot 61:sc= 0.738 USER MOD Set 2.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 55 SER OG : rot -98:sc= -3.41! USER MOD Set 3.1: A 33 THR OG1 : rot 180:sc= 0.242! USER MOD Set 3.2: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 2 SER OG : rot 180:sc= -1.13! USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.646 K(o=-0.65,f=-3.2!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -34:sc= 0.964 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.46 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -118:sc= -0.488 (180deg=-2.87!) USER MOD Single : A 32 GLN : amide:sc= -0.0909 K(o=-0.091,f=-0.8) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -1.77 X(o=-1.8,f=-1.9) USER MOD Single : A 52 THR OG1 : rot -80:sc= -6.67! USER MOD Single : A 56 TYR OH : rot -88:sc= 0.247 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.646 -4.884 -23.402 1.00 0.00 N ATOM 2 CA GLY A 1 6.423 -3.674 -23.795 1.00 0.00 C ATOM 3 C GLY A 1 6.494 -2.704 -22.614 1.00 0.00 C ATOM 4 O GLY A 1 7.559 -2.304 -22.190 1.00 0.00 O ATOM 0 H1 GLY A 1 5.599 -5.542 -24.206 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.114 -5.351 -22.599 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.683 -4.604 -23.127 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.428 -3.960 -24.105 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.952 -3.189 -24.650 1.00 0.00 H new ATOM 10 N SER A 2 5.366 -2.324 -22.078 1.00 0.00 N ATOM 11 CA SER A 2 5.370 -1.381 -20.922 1.00 0.00 C ATOM 12 C SER A 2 6.315 -0.208 -21.200 1.00 0.00 C ATOM 13 O SER A 2 7.370 -0.096 -20.607 1.00 0.00 O ATOM 14 CB SER A 2 5.872 -2.203 -19.732 1.00 0.00 C ATOM 15 OG SER A 2 6.265 -3.495 -20.177 1.00 0.00 O ATOM 0 H SER A 2 4.443 -2.625 -22.390 1.00 0.00 H new ATOM 0 HA SER A 2 4.383 -0.959 -20.734 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.714 -1.699 -19.258 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.088 -2.289 -18.980 1.00 0.00 H new ATOM 0 HG SER A 2 6.588 -4.019 -19.415 1.00 0.00 H new ATOM 21 N HIS A 3 5.944 0.666 -22.095 1.00 0.00 N ATOM 22 CA HIS A 3 6.824 1.830 -22.408 1.00 0.00 C ATOM 23 C HIS A 3 6.497 3.004 -21.479 1.00 0.00 C ATOM 24 O HIS A 3 7.272 3.926 -21.333 1.00 0.00 O ATOM 25 CB HIS A 3 6.505 2.188 -23.859 1.00 0.00 C ATOM 26 CG HIS A 3 7.757 2.088 -24.687 1.00 0.00 C ATOM 27 ND1 HIS A 3 7.983 1.033 -25.557 1.00 0.00 N ATOM 28 CD2 HIS A 3 8.859 2.900 -24.787 1.00 0.00 C ATOM 29 CE1 HIS A 3 9.180 1.237 -26.138 1.00 0.00 C ATOM 30 NE2 HIS A 3 9.756 2.361 -25.704 1.00 0.00 N ATOM 0 H HIS A 3 5.072 0.626 -22.623 1.00 0.00 H new ATOM 0 HA HIS A 3 7.880 1.600 -22.269 1.00 0.00 H new ATOM 0 HB2 HIS A 3 5.742 1.516 -24.251 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.099 3.198 -23.915 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.007 3.818 -24.237 1.00 0.00 H new ATOM 0 HE1 HIS A 3 9.621 0.573 -26.866 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.659 2.742 -25.985 1.00 0.00 H new ATOM 38 N MET A 4 5.355 2.972 -20.847 1.00 0.00 N ATOM 39 CA MET A 4 4.982 4.084 -19.925 1.00 0.00 C ATOM 40 C MET A 4 4.620 3.524 -18.547 1.00 0.00 C ATOM 41 O MET A 4 3.988 4.182 -17.746 1.00 0.00 O ATOM 42 CB MET A 4 3.765 4.746 -20.573 1.00 0.00 C ATOM 43 CG MET A 4 4.201 6.025 -21.291 1.00 0.00 C ATOM 44 SD MET A 4 2.771 7.112 -21.513 1.00 0.00 S ATOM 45 CE MET A 4 3.661 8.684 -21.408 1.00 0.00 C ATOM 0 H MET A 4 4.665 2.225 -20.929 1.00 0.00 H new ATOM 0 HA MET A 4 5.798 4.792 -19.777 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.298 4.060 -21.280 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.018 4.979 -19.815 1.00 0.00 H new ATOM 0 HG2 MET A 4 4.972 6.534 -20.713 1.00 0.00 H new ATOM 0 HG3 MET A 4 4.638 5.780 -22.259 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.957 9.509 -21.522 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.154 8.759 -20.439 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.408 8.733 -22.200 1.00 0.00 H new ATOM 55 N GLU A 5 5.018 2.313 -18.267 1.00 0.00 N ATOM 56 CA GLU A 5 4.697 1.713 -16.939 1.00 0.00 C ATOM 57 C GLU A 5 3.185 1.724 -16.707 1.00 0.00 C ATOM 58 O GLU A 5 2.715 1.576 -15.596 1.00 0.00 O ATOM 59 CB GLU A 5 5.404 2.608 -15.921 1.00 0.00 C ATOM 60 CG GLU A 5 6.908 2.602 -16.198 1.00 0.00 C ATOM 61 CD GLU A 5 7.479 1.216 -15.894 1.00 0.00 C ATOM 62 OE1 GLU A 5 6.996 0.589 -14.967 1.00 0.00 O ATOM 63 OE2 GLU A 5 8.390 0.806 -16.596 1.00 0.00 O ATOM 0 H GLU A 5 5.550 1.714 -18.898 1.00 0.00 H new ATOM 0 HA GLU A 5 5.021 0.675 -16.863 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.016 3.625 -15.982 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.208 2.252 -14.909 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.098 2.864 -17.239 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.404 3.354 -15.584 1.00 0.00 H new ATOM 70 N GLN A 6 2.418 1.899 -17.748 1.00 0.00 N ATOM 71 CA GLN A 6 0.936 1.920 -17.587 1.00 0.00 C ATOM 72 C GLN A 6 0.524 3.009 -16.592 1.00 0.00 C ATOM 73 O GLN A 6 1.314 3.455 -15.783 1.00 0.00 O ATOM 74 CB GLN A 6 0.579 0.535 -17.043 1.00 0.00 C ATOM 75 CG GLN A 6 -0.875 0.211 -17.388 1.00 0.00 C ATOM 76 CD GLN A 6 -1.641 -0.129 -16.107 1.00 0.00 C ATOM 77 OE1 GLN A 6 -2.615 0.519 -15.778 1.00 0.00 O ATOM 78 NE2 GLN A 6 -1.240 -1.124 -15.364 1.00 0.00 N ATOM 0 H GLN A 6 2.753 2.028 -18.703 1.00 0.00 H new ATOM 0 HA GLN A 6 0.423 2.137 -18.524 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.242 -0.217 -17.471 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.722 0.509 -15.963 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.340 1.061 -17.887 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.917 -0.628 -18.083 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.423 -1.669 -15.639 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.744 -1.357 -14.508 1.00 0.00 H new ATOM 87 N ASP A 7 -0.706 3.439 -16.645 1.00 0.00 N ATOM 88 CA ASP A 7 -1.171 4.497 -15.701 1.00 0.00 C ATOM 89 C ASP A 7 -2.046 3.878 -14.612 1.00 0.00 C ATOM 90 O ASP A 7 -3.114 4.372 -14.309 1.00 0.00 O ATOM 91 CB ASP A 7 -1.994 5.460 -16.557 1.00 0.00 C ATOM 92 CG ASP A 7 -3.204 4.721 -17.131 1.00 0.00 C ATOM 93 OD1 ASP A 7 -3.114 3.515 -17.299 1.00 0.00 O ATOM 94 OD2 ASP A 7 -4.202 5.372 -17.393 1.00 0.00 O ATOM 0 H ASP A 7 -1.411 3.104 -17.302 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.342 4.999 -15.203 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.323 6.308 -15.956 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.382 5.860 -17.365 1.00 0.00 H new ATOM 99 N LEU A 8 -1.609 2.796 -14.026 1.00 0.00 N ATOM 100 CA LEU A 8 -2.429 2.147 -12.964 1.00 0.00 C ATOM 101 C LEU A 8 -3.815 1.808 -13.519 1.00 0.00 C ATOM 102 O LEU A 8 -4.239 2.347 -14.522 1.00 0.00 O ATOM 103 CB LEU A 8 -2.536 3.188 -11.849 1.00 0.00 C ATOM 104 CG LEU A 8 -1.137 3.533 -11.334 1.00 0.00 C ATOM 105 CD1 LEU A 8 -1.147 4.938 -10.729 1.00 0.00 C ATOM 106 CD2 LEU A 8 -0.727 2.522 -10.261 1.00 0.00 C ATOM 0 H LEU A 8 -0.723 2.335 -14.236 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.987 1.217 -12.605 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.029 4.086 -12.222 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.149 2.802 -11.035 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.427 3.498 -12.160 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.150 5.183 -10.362 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.441 5.660 -11.491 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.857 4.973 -9.902 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.269 2.766 -9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.438 2.559 -9.436 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.720 1.520 -10.689 1.00 0.00 H new ATOM 118 N LYS A 9 -4.527 0.925 -12.878 1.00 0.00 N ATOM 119 CA LYS A 9 -5.884 0.566 -13.380 1.00 0.00 C ATOM 120 C LYS A 9 -6.929 1.505 -12.789 1.00 0.00 C ATOM 121 O LYS A 9 -8.074 1.142 -12.616 1.00 0.00 O ATOM 122 CB LYS A 9 -6.131 -0.854 -12.896 1.00 0.00 C ATOM 123 CG LYS A 9 -7.543 -1.290 -13.294 1.00 0.00 C ATOM 124 CD LYS A 9 -7.535 -2.772 -13.665 1.00 0.00 C ATOM 125 CE LYS A 9 -7.731 -3.617 -12.405 1.00 0.00 C ATOM 126 NZ LYS A 9 -7.067 -4.916 -12.704 1.00 0.00 N ATOM 0 H LYS A 9 -4.231 0.438 -12.032 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.949 0.646 -14.465 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.394 -1.531 -13.329 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.014 -0.906 -11.814 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.235 -1.115 -12.470 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.894 -0.695 -14.137 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.328 -2.982 -14.383 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.592 -3.032 -14.146 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.284 -3.137 -11.534 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.789 -3.756 -12.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.160 -5.550 -11.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.518 -5.353 -13.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.059 -4.753 -12.903 1.00 0.00 H new ATOM 140 N THR A 10 -6.547 2.710 -12.482 1.00 0.00 N ATOM 141 CA THR A 10 -7.526 3.672 -11.908 1.00 0.00 C ATOM 142 C THR A 10 -8.032 3.152 -10.562 1.00 0.00 C ATOM 143 O THR A 10 -8.372 1.995 -10.419 1.00 0.00 O ATOM 144 CB THR A 10 -8.680 3.756 -12.919 1.00 0.00 C ATOM 145 OG1 THR A 10 -9.686 2.817 -12.564 1.00 0.00 O ATOM 146 CG2 THR A 10 -8.173 3.450 -14.335 1.00 0.00 C ATOM 0 H THR A 10 -5.601 3.071 -12.603 1.00 0.00 H new ATOM 0 HA THR A 10 -7.080 4.652 -11.736 1.00 0.00 H new ATOM 0 HB THR A 10 -9.092 4.765 -12.903 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.267 2.020 -12.177 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.002 3.513 -15.040 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.406 4.173 -14.611 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.751 2.445 -14.361 1.00 0.00 H new ATOM 154 N LEU A 11 -8.077 3.999 -9.574 1.00 0.00 N ATOM 155 CA LEU A 11 -8.554 3.553 -8.234 1.00 0.00 C ATOM 156 C LEU A 11 -8.966 4.761 -7.390 1.00 0.00 C ATOM 157 O LEU A 11 -8.426 5.837 -7.550 1.00 0.00 O ATOM 158 CB LEU A 11 -7.356 2.840 -7.595 1.00 0.00 C ATOM 159 CG LEU A 11 -6.066 3.609 -7.897 1.00 0.00 C ATOM 160 CD1 LEU A 11 -5.012 3.274 -6.840 1.00 0.00 C ATOM 161 CD2 LEU A 11 -5.543 3.204 -9.277 1.00 0.00 C ATOM 0 H LEU A 11 -7.805 4.980 -9.634 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.424 2.901 -8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.500 2.764 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.281 1.823 -7.979 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.271 4.679 -7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.094 3.821 -7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.382 3.558 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.808 2.203 -6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.625 3.751 -9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.339 2.133 -9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.292 3.439 -10.033 1.00 0.00 H new ATOM 173 N PRO A 12 -9.908 4.546 -6.505 1.00 0.00 N ATOM 174 CA PRO A 12 -10.383 5.636 -5.625 1.00 0.00 C ATOM 175 C PRO A 12 -9.216 6.179 -4.797 1.00 0.00 C ATOM 176 O PRO A 12 -8.070 5.864 -5.051 1.00 0.00 O ATOM 177 CB PRO A 12 -11.419 4.931 -4.743 1.00 0.00 C ATOM 178 CG PRO A 12 -11.500 3.449 -5.162 1.00 0.00 C ATOM 179 CD PRO A 12 -10.541 3.217 -6.338 1.00 0.00 C ATOM 0 HA PRO A 12 -10.798 6.493 -6.156 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.139 5.012 -3.693 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.393 5.408 -4.850 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.234 2.804 -4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -12.520 3.193 -5.450 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.806 2.443 -6.116 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.071 2.904 -7.238 1.00 0.00 H new ATOM 187 N THR A 13 -9.488 6.987 -3.813 1.00 0.00 N ATOM 188 CA THR A 13 -8.376 7.536 -2.988 1.00 0.00 C ATOM 189 C THR A 13 -8.703 7.429 -1.499 1.00 0.00 C ATOM 190 O THR A 13 -9.832 7.199 -1.112 1.00 0.00 O ATOM 191 CB THR A 13 -8.261 9.004 -3.397 1.00 0.00 C ATOM 192 OG1 THR A 13 -9.559 9.577 -3.475 1.00 0.00 O ATOM 193 CG2 THR A 13 -7.572 9.105 -4.758 1.00 0.00 C ATOM 0 H THR A 13 -10.424 7.290 -3.545 1.00 0.00 H new ATOM 0 HA THR A 13 -7.447 6.988 -3.148 1.00 0.00 H new ATOM 0 HB THR A 13 -7.672 9.542 -2.655 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.486 10.519 -3.736 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.491 10.153 -5.048 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.576 8.668 -4.695 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.158 8.567 -5.503 1.00 0.00 H new ATOM 201 N THR A 14 -7.720 7.603 -0.663 1.00 0.00 N ATOM 202 CA THR A 14 -7.959 7.525 0.803 1.00 0.00 C ATOM 203 C THR A 14 -7.263 8.697 1.495 1.00 0.00 C ATOM 204 O THR A 14 -6.302 9.242 0.991 1.00 0.00 O ATOM 205 CB THR A 14 -7.340 6.196 1.242 1.00 0.00 C ATOM 206 OG1 THR A 14 -7.790 5.878 2.552 1.00 0.00 O ATOM 207 CG2 THR A 14 -5.815 6.312 1.237 1.00 0.00 C ATOM 0 H THR A 14 -6.756 7.797 -0.934 1.00 0.00 H new ATOM 0 HA THR A 14 -9.017 7.576 1.058 1.00 0.00 H new ATOM 0 HB THR A 14 -7.642 5.408 0.552 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.397 5.026 2.835 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.377 5.364 1.550 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.472 6.556 0.232 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.508 7.099 1.926 1.00 0.00 H new ATOM 215 N LYS A 15 -7.735 9.093 2.641 1.00 0.00 N ATOM 216 CA LYS A 15 -7.085 10.232 3.345 1.00 0.00 C ATOM 217 C LYS A 15 -5.825 9.748 4.062 1.00 0.00 C ATOM 218 O LYS A 15 -5.885 9.018 5.030 1.00 0.00 O ATOM 219 CB LYS A 15 -8.122 10.732 4.351 1.00 0.00 C ATOM 220 CG LYS A 15 -9.258 11.438 3.607 1.00 0.00 C ATOM 221 CD LYS A 15 -9.210 12.939 3.904 1.00 0.00 C ATOM 222 CE LYS A 15 -10.611 13.430 4.276 1.00 0.00 C ATOM 223 NZ LYS A 15 -10.654 13.384 5.764 1.00 0.00 N ATOM 0 H LYS A 15 -8.537 8.682 3.119 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.781 11.023 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.516 9.896 4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.656 11.417 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.166 11.266 2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.219 11.026 3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.515 13.137 4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.842 13.481 3.033 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.786 14.441 3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.381 12.794 3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.586 13.707 6.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.492 12.409 6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.915 14.004 6.152 1.00 0.00 H new ATOM 237 N ILE A 16 -4.685 10.154 3.586 1.00 0.00 N ATOM 238 CA ILE A 16 -3.407 9.733 4.220 1.00 0.00 C ATOM 239 C ILE A 16 -2.373 10.838 4.018 1.00 0.00 C ATOM 240 O ILE A 16 -2.669 11.865 3.449 1.00 0.00 O ATOM 241 CB ILE A 16 -3.005 8.450 3.485 1.00 0.00 C ATOM 242 CG1 ILE A 16 -1.982 7.679 4.322 1.00 0.00 C ATOM 243 CG2 ILE A 16 -2.395 8.793 2.123 1.00 0.00 C ATOM 244 CD1 ILE A 16 -2.220 6.177 4.156 1.00 0.00 C ATOM 0 H ILE A 16 -4.582 10.766 2.776 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.490 9.558 5.293 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.892 7.835 3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.970 7.935 4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.069 7.959 5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.113 7.874 1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.126 9.335 1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.511 9.415 2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.492 5.625 4.751 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.227 5.929 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.111 5.905 3.106 1.00 0.00 H new ATOM 256 N THR A 17 -1.168 10.659 4.471 1.00 0.00 N ATOM 257 CA THR A 17 -0.167 11.741 4.274 1.00 0.00 C ATOM 258 C THR A 17 0.976 11.279 3.377 1.00 0.00 C ATOM 259 O THR A 17 1.108 10.114 3.058 1.00 0.00 O ATOM 260 CB THR A 17 0.341 12.098 5.665 1.00 0.00 C ATOM 261 OG1 THR A 17 -0.450 11.442 6.647 1.00 0.00 O ATOM 262 CG2 THR A 17 0.241 13.610 5.845 1.00 0.00 C ATOM 0 H THR A 17 -0.835 9.828 4.960 1.00 0.00 H new ATOM 0 HA THR A 17 -0.611 12.604 3.778 1.00 0.00 H new ATOM 0 HB THR A 17 1.377 11.778 5.778 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.120 11.672 7.540 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.601 13.883 6.837 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.848 14.107 5.089 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.798 13.921 5.738 1.00 0.00 H new ATOM 270 N CYS A 18 1.791 12.201 2.952 1.00 0.00 N ATOM 271 CA CYS A 18 2.921 11.853 2.051 1.00 0.00 C ATOM 272 C CYS A 18 4.257 12.308 2.655 1.00 0.00 C ATOM 273 O CYS A 18 4.506 13.491 2.765 1.00 0.00 O ATOM 274 CB CYS A 18 2.621 12.645 0.787 1.00 0.00 C ATOM 275 SG CYS A 18 3.895 12.334 -0.459 1.00 0.00 S ATOM 0 H CYS A 18 1.722 13.190 3.193 1.00 0.00 H new ATOM 0 HA CYS A 18 3.010 10.780 1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.643 12.364 0.396 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.579 13.710 1.017 1.00 0.00 H new ATOM 280 N PRO A 19 5.085 11.359 3.020 1.00 0.00 N ATOM 281 CA PRO A 19 6.408 11.689 3.600 1.00 0.00 C ATOM 282 C PRO A 19 7.283 12.401 2.561 1.00 0.00 C ATOM 283 O PRO A 19 8.359 12.877 2.866 1.00 0.00 O ATOM 284 CB PRO A 19 6.981 10.309 3.938 1.00 0.00 C ATOM 285 CG PRO A 19 5.958 9.233 3.530 1.00 0.00 C ATOM 286 CD PRO A 19 4.751 9.921 2.882 1.00 0.00 C ATOM 0 HA PRO A 19 6.356 12.357 4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.923 10.153 3.412 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.196 10.240 5.004 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.410 8.528 2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.643 8.661 4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.632 9.631 1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.820 9.670 3.391 1.00 0.00 H new ATOM 294 N LYS A 20 6.834 12.470 1.336 1.00 0.00 N ATOM 295 CA LYS A 20 7.644 13.138 0.280 1.00 0.00 C ATOM 296 C LYS A 20 7.326 14.634 0.215 1.00 0.00 C ATOM 297 O LYS A 20 8.167 15.467 0.487 1.00 0.00 O ATOM 298 CB LYS A 20 7.240 12.447 -1.023 1.00 0.00 C ATOM 299 CG LYS A 20 8.452 11.727 -1.616 1.00 0.00 C ATOM 300 CD LYS A 20 9.432 12.755 -2.184 1.00 0.00 C ATOM 301 CE LYS A 20 10.824 12.517 -1.591 1.00 0.00 C ATOM 302 NZ LYS A 20 11.758 12.600 -2.750 1.00 0.00 N ATOM 0 H LYS A 20 5.940 12.092 1.022 1.00 0.00 H new ATOM 0 HA LYS A 20 8.713 13.057 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.437 11.735 -0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.857 13.180 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.942 11.127 -0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.132 11.042 -2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.470 12.675 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.093 13.764 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.064 13.266 -0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.884 11.543 -1.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.733 12.447 -2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.509 11.871 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.684 13.540 -3.189 1.00 0.00 H new ATOM 316 N CYS A 21 6.123 14.988 -0.154 1.00 0.00 N ATOM 317 CA CYS A 21 5.778 16.437 -0.242 1.00 0.00 C ATOM 318 C CYS A 21 4.877 16.858 0.928 1.00 0.00 C ATOM 319 O CYS A 21 4.637 18.030 1.144 1.00 0.00 O ATOM 320 CB CYS A 21 5.067 16.602 -1.590 1.00 0.00 C ATOM 321 SG CYS A 21 3.401 15.903 -1.507 1.00 0.00 S ATOM 0 H CYS A 21 5.371 14.343 -0.396 1.00 0.00 H new ATOM 0 HA CYS A 21 6.661 17.072 -0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.013 17.658 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.639 16.106 -2.374 1.00 0.00 H new ATOM 326 N GLY A 22 4.397 15.919 1.699 1.00 0.00 N ATOM 327 CA GLY A 22 3.539 16.279 2.869 1.00 0.00 C ATOM 328 C GLY A 22 2.065 16.355 2.463 1.00 0.00 C ATOM 329 O GLY A 22 1.237 16.843 3.207 1.00 0.00 O ATOM 0 H GLY A 22 4.560 14.920 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.665 15.539 3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.858 17.238 3.277 1.00 0.00 H new ATOM 333 N ASN A 23 1.721 15.876 1.302 1.00 0.00 N ATOM 334 CA ASN A 23 0.292 15.929 0.875 1.00 0.00 C ATOM 335 C ASN A 23 -0.606 15.369 1.978 1.00 0.00 C ATOM 336 O ASN A 23 -0.138 14.797 2.943 1.00 0.00 O ATOM 337 CB ASN A 23 0.206 15.049 -0.373 1.00 0.00 C ATOM 338 CG ASN A 23 -1.034 15.433 -1.182 1.00 0.00 C ATOM 339 OD1 ASN A 23 -1.366 16.596 -1.292 1.00 0.00 O ATOM 340 ND2 ASN A 23 -1.738 14.497 -1.759 1.00 0.00 N ATOM 0 H ASN A 23 2.362 15.452 0.631 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.036 16.949 0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.103 15.172 -0.981 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.156 13.998 -0.088 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.566 14.743 -2.302 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.460 13.520 -1.667 1.00 0.00 H new ATOM 347 N ASP A 24 -1.892 15.521 1.839 1.00 0.00 N ATOM 348 CA ASP A 24 -2.819 14.991 2.876 1.00 0.00 C ATOM 349 C ASP A 24 -3.683 13.876 2.281 1.00 0.00 C ATOM 350 O ASP A 24 -4.614 13.398 2.901 1.00 0.00 O ATOM 351 CB ASP A 24 -3.684 16.184 3.284 1.00 0.00 C ATOM 352 CG ASP A 24 -3.159 16.773 4.595 1.00 0.00 C ATOM 353 OD1 ASP A 24 -2.466 16.062 5.304 1.00 0.00 O ATOM 354 OD2 ASP A 24 -3.459 17.924 4.867 1.00 0.00 O ATOM 0 H ASP A 24 -2.342 15.989 1.052 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.290 14.566 3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.669 16.942 2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.721 15.870 3.404 1.00 0.00 H new ATOM 359 N THR A 25 -3.379 13.448 1.086 1.00 0.00 N ATOM 360 CA THR A 25 -4.190 12.359 0.472 1.00 0.00 C ATOM 361 C THR A 25 -3.353 11.526 -0.497 1.00 0.00 C ATOM 362 O THR A 25 -2.294 11.929 -0.939 1.00 0.00 O ATOM 363 CB THR A 25 -5.309 13.060 -0.291 1.00 0.00 C ATOM 364 OG1 THR A 25 -5.835 14.118 0.498 1.00 0.00 O ATOM 365 CG2 THR A 25 -6.411 12.049 -0.606 1.00 0.00 C ATOM 0 H THR A 25 -2.612 13.801 0.513 1.00 0.00 H new ATOM 0 HA THR A 25 -4.568 11.678 1.235 1.00 0.00 H new ATOM 0 HB THR A 25 -4.918 13.472 -1.221 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.553 14.568 0.005 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.214 12.544 -1.152 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.002 11.243 -1.215 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.804 11.638 0.324 1.00 0.00 H new ATOM 373 N ALA A 26 -3.836 10.364 -0.830 1.00 0.00 N ATOM 374 CA ALA A 26 -3.099 9.476 -1.776 1.00 0.00 C ATOM 375 C ALA A 26 -4.047 8.412 -2.340 1.00 0.00 C ATOM 376 O ALA A 26 -5.051 8.089 -1.737 1.00 0.00 O ATOM 377 CB ALA A 26 -2.009 8.821 -0.927 1.00 0.00 C ATOM 0 H ALA A 26 -4.718 9.986 -0.485 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.686 10.021 -2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.418 8.149 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.361 9.592 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.469 8.255 -0.117 1.00 0.00 H new ATOM 383 N TYR A 27 -3.729 7.840 -3.470 1.00 0.00 N ATOM 384 CA TYR A 27 -4.611 6.776 -4.023 1.00 0.00 C ATOM 385 C TYR A 27 -4.321 5.491 -3.253 1.00 0.00 C ATOM 386 O TYR A 27 -3.417 5.449 -2.444 1.00 0.00 O ATOM 387 CB TYR A 27 -4.210 6.615 -5.493 1.00 0.00 C ATOM 388 CG TYR A 27 -4.223 7.957 -6.185 1.00 0.00 C ATOM 389 CD1 TYR A 27 -5.432 8.512 -6.621 1.00 0.00 C ATOM 390 CD2 TYR A 27 -3.024 8.645 -6.396 1.00 0.00 C ATOM 391 CE1 TYR A 27 -5.439 9.754 -7.268 1.00 0.00 C ATOM 392 CE2 TYR A 27 -3.029 9.884 -7.041 1.00 0.00 C ATOM 393 CZ TYR A 27 -4.237 10.441 -7.477 1.00 0.00 C ATOM 394 OH TYR A 27 -4.242 11.665 -8.113 1.00 0.00 O ATOM 0 H TYR A 27 -2.905 8.061 -4.028 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.672 7.012 -3.938 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.216 6.172 -5.560 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.898 5.933 -5.993 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.359 7.982 -6.458 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.091 8.217 -6.059 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.371 10.182 -7.606 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.101 10.412 -7.203 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.325 12.005 -8.176 1.00 0.00 H new ATOM 404 N TRP A 28 -5.060 4.442 -3.470 1.00 0.00 N ATOM 405 CA TRP A 28 -4.762 3.206 -2.700 1.00 0.00 C ATOM 406 C TRP A 28 -5.306 1.954 -3.382 1.00 0.00 C ATOM 407 O TRP A 28 -6.390 1.941 -3.930 1.00 0.00 O ATOM 408 CB TRP A 28 -5.460 3.393 -1.356 1.00 0.00 C ATOM 409 CG TRP A 28 -6.933 3.523 -1.577 1.00 0.00 C ATOM 410 CD1 TRP A 28 -7.596 4.689 -1.759 1.00 0.00 C ATOM 411 CD2 TRP A 28 -7.935 2.468 -1.642 1.00 0.00 C ATOM 412 NE1 TRP A 28 -8.941 4.415 -1.933 1.00 0.00 N ATOM 413 CE2 TRP A 28 -9.200 3.060 -1.868 1.00 0.00 C ATOM 414 CE3 TRP A 28 -7.870 1.068 -1.527 1.00 0.00 C ATOM 415 CZ2 TRP A 28 -10.358 2.291 -1.978 1.00 0.00 C ATOM 416 CZ3 TRP A 28 -9.034 0.291 -1.636 1.00 0.00 C ATOM 417 CH2 TRP A 28 -10.276 0.901 -1.861 1.00 0.00 C ATOM 0 H TRP A 28 -5.837 4.385 -4.128 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.685 3.064 -2.611 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -5.252 2.544 -0.704 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.076 4.281 -0.855 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.149 5.672 -1.767 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.654 5.127 -2.090 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.918 0.587 -1.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -11.312 2.767 -2.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.972 -0.783 -1.546 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -11.168 0.298 -1.944 1.00 0.00 H new ATOM 428 N TRP A 29 -4.562 0.890 -3.302 1.00 0.00 N ATOM 429 CA TRP A 29 -5.014 -0.400 -3.885 1.00 0.00 C ATOM 430 C TRP A 29 -4.346 -1.535 -3.109 1.00 0.00 C ATOM 431 O TRP A 29 -3.534 -1.300 -2.237 1.00 0.00 O ATOM 432 CB TRP A 29 -4.576 -0.382 -5.351 1.00 0.00 C ATOM 433 CG TRP A 29 -3.099 -0.199 -5.446 1.00 0.00 C ATOM 434 CD1 TRP A 29 -2.208 -1.189 -5.672 1.00 0.00 C ATOM 435 CD2 TRP A 29 -2.328 1.030 -5.333 1.00 0.00 C ATOM 436 NE1 TRP A 29 -0.937 -0.646 -5.708 1.00 0.00 N ATOM 437 CE2 TRP A 29 -0.959 0.720 -5.504 1.00 0.00 C ATOM 438 CE3 TRP A 29 -2.680 2.370 -5.100 1.00 0.00 C ATOM 439 CZ2 TRP A 29 0.026 1.706 -5.447 1.00 0.00 C ATOM 440 CZ3 TRP A 29 -1.693 3.366 -5.041 1.00 0.00 C ATOM 441 CH2 TRP A 29 -0.342 3.035 -5.215 1.00 0.00 C ATOM 0 H TRP A 29 -3.648 0.859 -2.851 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.093 -0.544 -3.824 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.866 -1.314 -5.836 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.084 0.424 -5.880 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.449 -2.234 -5.803 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.087 -1.188 -5.866 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.718 2.636 -4.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 1.065 1.445 -5.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.976 4.393 -4.861 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.414 3.805 -5.170 1.00 0.00 H new ATOM 452 N GLU A 30 -4.682 -2.758 -3.391 1.00 0.00 N ATOM 453 CA GLU A 30 -4.060 -3.876 -2.631 1.00 0.00 C ATOM 454 C GLU A 30 -3.047 -4.618 -3.507 1.00 0.00 C ATOM 455 O GLU A 30 -3.135 -4.611 -4.718 1.00 0.00 O ATOM 456 CB GLU A 30 -5.223 -4.797 -2.261 1.00 0.00 C ATOM 457 CG GLU A 30 -5.931 -5.261 -3.535 1.00 0.00 C ATOM 458 CD GLU A 30 -6.020 -6.788 -3.542 1.00 0.00 C ATOM 459 OE1 GLU A 30 -4.982 -7.422 -3.443 1.00 0.00 O ATOM 460 OE2 GLU A 30 -7.123 -7.297 -3.645 1.00 0.00 O ATOM 0 H GLU A 30 -5.354 -3.033 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.520 -3.525 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.856 -5.658 -1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.925 -4.272 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.930 -4.828 -3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.387 -4.914 -4.413 1.00 0.00 H new ATOM 467 N MET A 31 -2.088 -5.262 -2.901 1.00 0.00 N ATOM 468 CA MET A 31 -1.072 -6.009 -3.696 1.00 0.00 C ATOM 469 C MET A 31 -0.796 -7.368 -3.048 1.00 0.00 C ATOM 470 O MET A 31 -0.779 -7.499 -1.840 1.00 0.00 O ATOM 471 CB MET A 31 0.180 -5.131 -3.664 1.00 0.00 C ATOM 472 CG MET A 31 0.280 -4.340 -4.968 1.00 0.00 C ATOM 473 SD MET A 31 1.917 -4.584 -5.698 1.00 0.00 S ATOM 474 CE MET A 31 2.419 -2.845 -5.707 1.00 0.00 C ATOM 0 H MET A 31 -1.964 -5.303 -1.889 1.00 0.00 H new ATOM 0 HA MET A 31 -1.403 -6.204 -4.716 1.00 0.00 H new ATOM 0 HB2 MET A 31 0.138 -4.449 -2.815 1.00 0.00 H new ATOM 0 HB3 MET A 31 1.068 -5.749 -3.532 1.00 0.00 H new ATOM 0 HG2 MET A 31 -0.493 -4.667 -5.664 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.110 -3.280 -4.777 1.00 0.00 H new ATOM 0 HE1 MET A 31 2.588 -2.520 -6.734 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.633 -2.237 -5.259 1.00 0.00 H new ATOM 0 HE3 MET A 31 3.339 -2.729 -5.134 1.00 0.00 H new ATOM 484 N GLN A 32 -0.582 -8.382 -3.842 1.00 0.00 N ATOM 485 CA GLN A 32 -0.311 -9.731 -3.269 1.00 0.00 C ATOM 486 C GLN A 32 1.198 -9.984 -3.202 1.00 0.00 C ATOM 487 O GLN A 32 1.911 -9.805 -4.169 1.00 0.00 O ATOM 488 CB GLN A 32 -0.979 -10.713 -4.232 1.00 0.00 C ATOM 489 CG GLN A 32 -2.460 -10.354 -4.381 1.00 0.00 C ATOM 490 CD GLN A 32 -2.737 -9.911 -5.819 1.00 0.00 C ATOM 491 OE1 GLN A 32 -2.197 -10.469 -6.753 1.00 0.00 O ATOM 492 NE2 GLN A 32 -3.564 -8.924 -6.037 1.00 0.00 N ATOM 0 H GLN A 32 -0.583 -8.335 -4.861 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.694 -9.833 -2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.486 -10.679 -5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.877 -11.732 -3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.080 -11.214 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.723 -9.556 -3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.017 -8.456 -5.252 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.757 -8.621 -6.992 1.00 0.00 H new ATOM 501 N THR A 33 1.687 -10.400 -2.066 1.00 0.00 N ATOM 502 CA THR A 33 3.148 -10.665 -1.937 1.00 0.00 C ATOM 503 C THR A 33 3.384 -11.954 -1.145 1.00 0.00 C ATOM 504 O THR A 33 3.677 -12.992 -1.705 1.00 0.00 O ATOM 505 CB THR A 33 3.706 -9.460 -1.176 1.00 0.00 C ATOM 506 OG1 THR A 33 3.201 -9.466 0.155 1.00 0.00 O ATOM 507 CG2 THR A 33 3.286 -8.169 -1.884 1.00 0.00 C ATOM 0 H THR A 33 1.139 -10.568 -1.222 1.00 0.00 H new ATOM 0 HA THR A 33 3.630 -10.794 -2.906 1.00 0.00 H new ATOM 0 HB THR A 33 4.794 -9.517 -1.149 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.559 -8.696 0.644 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.683 -7.311 -1.342 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.677 -8.168 -2.901 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.198 -8.107 -1.913 1.00 0.00 H new ATOM 515 N ARG A 34 3.256 -11.897 0.152 1.00 0.00 N ATOM 516 CA ARG A 34 3.470 -13.120 0.978 1.00 0.00 C ATOM 517 C ARG A 34 2.700 -13.011 2.296 1.00 0.00 C ATOM 518 O ARG A 34 2.021 -12.037 2.551 1.00 0.00 O ATOM 519 CB ARG A 34 4.977 -13.164 1.238 1.00 0.00 C ATOM 520 CG ARG A 34 5.676 -13.867 0.072 1.00 0.00 C ATOM 521 CD ARG A 34 6.323 -12.823 -0.842 1.00 0.00 C ATOM 522 NE ARG A 34 6.354 -13.458 -2.189 1.00 0.00 N ATOM 523 CZ ARG A 34 5.768 -12.874 -3.199 1.00 0.00 C ATOM 524 NH1 ARG A 34 5.847 -11.579 -3.339 1.00 0.00 N ATOM 525 NH2 ARG A 34 5.105 -13.585 -4.070 1.00 0.00 N ATOM 0 H ARG A 34 3.012 -11.057 0.676 1.00 0.00 H new ATOM 0 HA ARG A 34 3.116 -14.022 0.479 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.367 -12.153 1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.181 -13.692 2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.433 -14.554 0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.957 -14.463 -0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 34 5.747 -11.898 -0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.327 -12.569 -0.502 1.00 0.00 H new ATOM 0 HE ARG A 34 6.833 -14.349 -2.322 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.366 -11.023 -2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.389 -11.122 -4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.044 -14.597 -3.962 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.647 -13.128 -4.859 1.00 0.00 H new ATOM 539 N ALA A 35 2.801 -14.006 3.137 1.00 0.00 N ATOM 540 CA ALA A 35 2.073 -13.960 4.439 1.00 0.00 C ATOM 541 C ALA A 35 3.021 -13.529 5.562 1.00 0.00 C ATOM 542 O ALA A 35 4.081 -14.093 5.744 1.00 0.00 O ATOM 543 CB ALA A 35 1.585 -15.390 4.668 1.00 0.00 C ATOM 0 H ALA A 35 3.355 -14.848 2.979 1.00 0.00 H new ATOM 0 HA ALA A 35 1.251 -13.245 4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.038 -15.441 5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.928 -15.686 3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.440 -16.064 4.709 1.00 0.00 H new ATOM 549 N GLY A 36 2.646 -12.530 6.315 1.00 0.00 N ATOM 550 CA GLY A 36 3.525 -12.064 7.425 1.00 0.00 C ATOM 551 C GLY A 36 2.768 -11.052 8.288 1.00 0.00 C ATOM 552 O GLY A 36 3.070 -9.875 8.288 1.00 0.00 O ATOM 0 H GLY A 36 1.770 -12.018 6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.841 -12.912 8.033 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.429 -11.608 7.020 1.00 0.00 H new ATOM 556 N ASP A 37 1.789 -11.501 9.025 1.00 0.00 N ATOM 557 CA ASP A 37 1.016 -10.564 9.890 1.00 0.00 C ATOM 558 C ASP A 37 0.422 -9.430 9.048 1.00 0.00 C ATOM 559 O ASP A 37 0.047 -8.395 9.561 1.00 0.00 O ATOM 560 CB ASP A 37 2.034 -10.011 10.887 1.00 0.00 C ATOM 561 CG ASP A 37 2.730 -11.170 11.603 1.00 0.00 C ATOM 562 OD1 ASP A 37 2.031 -12.035 12.104 1.00 0.00 O ATOM 563 OD2 ASP A 37 3.949 -11.172 11.639 1.00 0.00 O ATOM 0 H ASP A 37 1.491 -12.476 9.066 1.00 0.00 H new ATOM 0 HA ASP A 37 0.183 -11.059 10.389 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.769 -9.396 10.368 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.536 -9.368 11.613 1.00 0.00 H new ATOM 568 N GLU A 38 0.332 -9.617 7.760 1.00 0.00 N ATOM 569 CA GLU A 38 -0.239 -8.548 6.891 1.00 0.00 C ATOM 570 C GLU A 38 -0.596 -9.120 5.513 1.00 0.00 C ATOM 571 O GLU A 38 0.102 -8.887 4.548 1.00 0.00 O ATOM 572 CB GLU A 38 0.871 -7.504 6.766 1.00 0.00 C ATOM 573 CG GLU A 38 2.092 -8.132 6.092 1.00 0.00 C ATOM 574 CD GLU A 38 3.356 -7.384 6.523 1.00 0.00 C ATOM 575 OE1 GLU A 38 3.229 -6.441 7.286 1.00 0.00 O ATOM 576 OE2 GLU A 38 4.427 -7.768 6.083 1.00 0.00 O ATOM 0 H GLU A 38 0.628 -10.462 7.272 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.153 -8.123 7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.519 -6.652 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.141 -7.126 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.169 -9.185 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.984 -8.090 5.008 1.00 0.00 H new ATOM 583 N PRO A 39 -1.680 -9.856 5.466 1.00 0.00 N ATOM 584 CA PRO A 39 -2.134 -10.467 4.194 1.00 0.00 C ATOM 585 C PRO A 39 -2.445 -9.382 3.158 1.00 0.00 C ATOM 586 O PRO A 39 -3.177 -8.450 3.422 1.00 0.00 O ATOM 587 CB PRO A 39 -3.407 -11.210 4.611 1.00 0.00 C ATOM 588 CG PRO A 39 -3.634 -10.997 6.120 1.00 0.00 C ATOM 589 CD PRO A 39 -2.505 -10.115 6.670 1.00 0.00 C ATOM 0 HA PRO A 39 -1.391 -11.116 3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.262 -10.841 4.045 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.313 -12.273 4.390 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.601 -10.524 6.293 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.651 -11.956 6.638 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.888 -9.192 7.105 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.937 -10.623 7.449 1.00 0.00 H new ATOM 597 N SER A 40 -1.895 -9.499 1.981 1.00 0.00 N ATOM 598 CA SER A 40 -2.162 -8.477 0.930 1.00 0.00 C ATOM 599 C SER A 40 -1.695 -7.097 1.401 1.00 0.00 C ATOM 600 O SER A 40 -2.197 -6.557 2.366 1.00 0.00 O ATOM 601 CB SER A 40 -3.678 -8.492 0.742 1.00 0.00 C ATOM 602 OG SER A 40 -3.993 -9.130 -0.488 1.00 0.00 O ATOM 0 H SER A 40 -1.273 -10.257 1.702 1.00 0.00 H new ATOM 0 HA SER A 40 -1.632 -8.691 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.153 -9.018 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.067 -7.474 0.746 1.00 0.00 H new ATOM 0 HG SER A 40 -4.965 -9.143 -0.610 1.00 0.00 H new ATOM 608 N THR A 41 -0.738 -6.522 0.724 1.00 0.00 N ATOM 609 CA THR A 41 -0.242 -5.176 1.134 1.00 0.00 C ATOM 610 C THR A 41 -0.963 -4.083 0.339 1.00 0.00 C ATOM 611 O THR A 41 -1.387 -4.295 -0.779 1.00 0.00 O ATOM 612 CB THR A 41 1.252 -5.185 0.801 1.00 0.00 C ATOM 613 OG1 THR A 41 1.907 -6.159 1.601 1.00 0.00 O ATOM 614 CG2 THR A 41 1.847 -3.805 1.083 1.00 0.00 C ATOM 0 H THR A 41 -0.279 -6.924 -0.093 1.00 0.00 H new ATOM 0 HA THR A 41 -0.422 -4.973 2.190 1.00 0.00 H new ATOM 0 HB THR A 41 1.389 -5.428 -0.253 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.864 -6.168 1.388 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.911 -3.812 0.846 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.343 -3.059 0.468 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.712 -3.559 2.136 1.00 0.00 H new ATOM 622 N ILE A 42 -1.105 -2.917 0.906 1.00 0.00 N ATOM 623 CA ILE A 42 -1.800 -1.815 0.179 1.00 0.00 C ATOM 624 C ILE A 42 -0.836 -0.655 -0.071 1.00 0.00 C ATOM 625 O ILE A 42 -0.263 -0.103 0.848 1.00 0.00 O ATOM 626 CB ILE A 42 -2.931 -1.376 1.109 1.00 0.00 C ATOM 627 CG1 ILE A 42 -4.066 -2.403 1.035 1.00 0.00 C ATOM 628 CG2 ILE A 42 -3.445 0.009 0.684 1.00 0.00 C ATOM 629 CD1 ILE A 42 -5.361 -1.794 1.578 1.00 0.00 C ATOM 0 H ILE A 42 -0.771 -2.679 1.840 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.172 -2.136 -0.794 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.563 -1.314 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.210 -2.724 0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.803 -3.290 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.251 0.318 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.631 0.732 0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.818 -0.039 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.162 -2.531 1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.215 -1.496 2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.629 -0.921 0.984 1.00 0.00 H new ATOM 641 N PHE A 43 -0.664 -0.272 -1.303 1.00 0.00 N ATOM 642 CA PHE A 43 0.249 0.864 -1.601 1.00 0.00 C ATOM 643 C PHE A 43 -0.562 2.157 -1.684 1.00 0.00 C ATOM 644 O PHE A 43 -1.678 2.172 -2.170 1.00 0.00 O ATOM 645 CB PHE A 43 0.890 0.524 -2.945 1.00 0.00 C ATOM 646 CG PHE A 43 2.013 -0.460 -2.725 1.00 0.00 C ATOM 647 CD1 PHE A 43 1.722 -1.792 -2.402 1.00 0.00 C ATOM 648 CD2 PHE A 43 3.343 -0.043 -2.841 1.00 0.00 C ATOM 649 CE1 PHE A 43 2.762 -2.705 -2.195 1.00 0.00 C ATOM 650 CE2 PHE A 43 4.384 -0.957 -2.635 1.00 0.00 C ATOM 651 CZ PHE A 43 4.093 -2.287 -2.311 1.00 0.00 C ATOM 0 H PHE A 43 -1.114 -0.695 -2.115 1.00 0.00 H new ATOM 0 HA PHE A 43 1.008 1.011 -0.832 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.146 0.100 -3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.271 1.429 -3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.695 -2.114 -2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.567 0.984 -3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.538 -3.732 -1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.411 -0.636 -2.726 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.896 -2.991 -2.150 1.00 0.00 H new ATOM 661 N TYR A 44 -0.019 3.235 -1.192 1.00 0.00 N ATOM 662 CA TYR A 44 -0.765 4.526 -1.214 1.00 0.00 C ATOM 663 C TYR A 44 -0.032 5.570 -2.052 1.00 0.00 C ATOM 664 O TYR A 44 0.995 6.070 -1.652 1.00 0.00 O ATOM 665 CB TYR A 44 -0.765 4.983 0.236 1.00 0.00 C ATOM 666 CG TYR A 44 -1.735 4.175 1.049 1.00 0.00 C ATOM 667 CD1 TYR A 44 -3.024 3.926 0.573 1.00 0.00 C ATOM 668 CD2 TYR A 44 -1.345 3.698 2.301 1.00 0.00 C ATOM 669 CE1 TYR A 44 -3.926 3.194 1.355 1.00 0.00 C ATOM 670 CE2 TYR A 44 -2.243 2.973 3.087 1.00 0.00 C ATOM 671 CZ TYR A 44 -3.536 2.720 2.615 1.00 0.00 C ATOM 672 OH TYR A 44 -4.426 2.004 3.390 1.00 0.00 O ATOM 0 H TYR A 44 0.911 3.279 -0.775 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.761 4.405 -1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.237 4.884 0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.030 6.039 0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.324 4.297 -0.396 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.346 3.890 2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.922 2.995 0.987 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.940 2.608 4.057 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.995 1.750 4.233 1.00 0.00 H new ATOM 682 N LYS A 45 -0.553 5.930 -3.191 1.00 0.00 N ATOM 683 CA LYS A 45 0.136 6.969 -4.015 1.00 0.00 C ATOM 684 C LYS A 45 -0.435 8.364 -3.734 1.00 0.00 C ATOM 685 O LYS A 45 -1.548 8.680 -4.098 1.00 0.00 O ATOM 686 CB LYS A 45 -0.100 6.572 -5.472 1.00 0.00 C ATOM 687 CG LYS A 45 1.220 6.149 -6.113 1.00 0.00 C ATOM 688 CD LYS A 45 1.104 6.255 -7.634 1.00 0.00 C ATOM 689 CE LYS A 45 1.999 7.391 -8.137 1.00 0.00 C ATOM 690 NZ LYS A 45 2.824 6.781 -9.217 1.00 0.00 N ATOM 0 H LYS A 45 -1.416 5.557 -3.586 1.00 0.00 H new ATOM 0 HA LYS A 45 1.199 7.018 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.819 5.754 -5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.530 7.409 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.031 6.783 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.465 5.126 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.398 5.314 -8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.068 6.441 -7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.405 8.223 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.625 7.784 -7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.464 7.499 -9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.383 5.996 -8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.201 6.421 -9.968 1.00 0.00 H new ATOM 704 N CYS A 46 0.336 9.201 -3.095 1.00 0.00 N ATOM 705 CA CYS A 46 -0.132 10.585 -2.788 1.00 0.00 C ATOM 706 C CYS A 46 -0.697 11.235 -4.057 1.00 0.00 C ATOM 707 O CYS A 46 -0.164 11.081 -5.138 1.00 0.00 O ATOM 708 CB CYS A 46 1.138 11.295 -2.281 1.00 0.00 C ATOM 709 SG CYS A 46 1.158 13.053 -2.738 1.00 0.00 S ATOM 0 H CYS A 46 1.278 8.984 -2.769 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.935 10.629 -2.053 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.198 11.201 -1.197 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.019 10.802 -2.693 1.00 0.00 H new ATOM 715 N THR A 47 -1.780 11.952 -3.928 1.00 0.00 N ATOM 716 CA THR A 47 -2.394 12.604 -5.121 1.00 0.00 C ATOM 717 C THR A 47 -1.813 14.008 -5.324 1.00 0.00 C ATOM 718 O THR A 47 -2.535 14.959 -5.549 1.00 0.00 O ATOM 719 CB THR A 47 -3.890 12.688 -4.805 1.00 0.00 C ATOM 720 OG1 THR A 47 -4.121 13.761 -3.902 1.00 0.00 O ATOM 721 CG2 THR A 47 -4.362 11.377 -4.172 1.00 0.00 C ATOM 0 H THR A 47 -2.267 12.115 -3.047 1.00 0.00 H new ATOM 0 HA THR A 47 -2.199 12.045 -6.036 1.00 0.00 H new ATOM 0 HB THR A 47 -4.444 12.859 -5.728 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.843 14.604 -4.318 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.427 11.443 -3.950 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.186 10.554 -4.865 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.809 11.199 -3.250 1.00 0.00 H new ATOM 729 N LYS A 48 -0.517 14.147 -5.250 1.00 0.00 N ATOM 730 CA LYS A 48 0.097 15.494 -5.443 1.00 0.00 C ATOM 731 C LYS A 48 1.444 15.368 -6.163 1.00 0.00 C ATOM 732 O LYS A 48 1.560 15.667 -7.334 1.00 0.00 O ATOM 733 CB LYS A 48 0.287 16.054 -4.032 1.00 0.00 C ATOM 734 CG LYS A 48 0.784 17.498 -4.119 1.00 0.00 C ATOM 735 CD LYS A 48 1.006 18.048 -2.709 1.00 0.00 C ATOM 736 CE LYS A 48 -0.003 19.163 -2.428 1.00 0.00 C ATOM 737 NZ LYS A 48 0.516 19.857 -1.215 1.00 0.00 N ATOM 0 H LYS A 48 0.142 13.390 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.526 16.145 -6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.654 16.015 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.003 15.444 -3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.713 17.540 -4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.057 18.112 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.895 17.250 -1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.022 18.431 -2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.079 19.848 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.000 18.758 -2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.124 20.636 -0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.571 19.182 -0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.464 20.238 -1.412 1.00 0.00 H new ATOM 751 N CYS A 49 2.461 14.926 -5.474 1.00 0.00 N ATOM 752 CA CYS A 49 3.793 14.784 -6.129 1.00 0.00 C ATOM 753 C CYS A 49 3.890 13.432 -6.835 1.00 0.00 C ATOM 754 O CYS A 49 4.726 13.223 -7.691 1.00 0.00 O ATOM 755 CB CYS A 49 4.810 14.871 -4.989 1.00 0.00 C ATOM 756 SG CYS A 49 4.721 13.370 -3.981 1.00 0.00 S ATOM 0 H CYS A 49 2.428 14.658 -4.490 1.00 0.00 H new ATOM 0 HA CYS A 49 3.966 15.550 -6.885 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.815 14.991 -5.393 1.00 0.00 H new ATOM 0 HB3 CYS A 49 4.607 15.747 -4.373 1.00 0.00 H new ATOM 762 N GLY A 50 3.037 12.513 -6.480 1.00 0.00 N ATOM 763 CA GLY A 50 3.072 11.174 -7.126 1.00 0.00 C ATOM 764 C GLY A 50 4.060 10.270 -6.386 1.00 0.00 C ATOM 765 O GLY A 50 5.005 9.768 -6.961 1.00 0.00 O ATOM 0 H GLY A 50 2.316 12.633 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.077 10.728 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.366 11.271 -8.171 1.00 0.00 H new ATOM 769 N HIS A 51 3.842 10.044 -5.119 1.00 0.00 N ATOM 770 CA HIS A 51 4.760 9.159 -4.353 1.00 0.00 C ATOM 771 C HIS A 51 3.932 8.064 -3.691 1.00 0.00 C ATOM 772 O HIS A 51 2.791 8.280 -3.337 1.00 0.00 O ATOM 773 CB HIS A 51 5.408 10.065 -3.305 1.00 0.00 C ATOM 774 CG HIS A 51 6.148 9.225 -2.302 1.00 0.00 C ATOM 775 ND1 HIS A 51 6.992 8.194 -2.682 1.00 0.00 N ATOM 776 CD2 HIS A 51 6.180 9.250 -0.930 1.00 0.00 C ATOM 777 CE1 HIS A 51 7.493 7.646 -1.561 1.00 0.00 C ATOM 778 NE2 HIS A 51 7.030 8.252 -0.463 1.00 0.00 N ATOM 0 H HIS A 51 3.067 10.435 -4.583 1.00 0.00 H new ATOM 0 HA HIS A 51 5.516 8.678 -4.973 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.093 10.763 -3.786 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.646 10.661 -2.804 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.629 9.939 -0.307 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.185 6.817 -1.549 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.252 8.031 0.508 1.00 0.00 H new ATOM 786 N THR A 52 4.465 6.887 -3.528 1.00 0.00 N ATOM 787 CA THR A 52 3.641 5.824 -2.898 1.00 0.00 C ATOM 788 C THR A 52 4.456 4.970 -1.922 1.00 0.00 C ATOM 789 O THR A 52 5.643 4.767 -2.085 1.00 0.00 O ATOM 790 CB THR A 52 3.090 4.996 -4.071 1.00 0.00 C ATOM 791 OG1 THR A 52 1.727 4.691 -3.818 1.00 0.00 O ATOM 792 CG2 THR A 52 3.872 3.690 -4.249 1.00 0.00 C ATOM 0 H THR A 52 5.412 6.620 -3.796 1.00 0.00 H new ATOM 0 HA THR A 52 2.838 6.243 -2.292 1.00 0.00 H new ATOM 0 HB THR A 52 3.192 5.582 -4.985 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.671 3.934 -3.199 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.457 3.129 -5.086 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.919 3.917 -4.448 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.797 3.094 -3.340 1.00 0.00 H new ATOM 800 N TRP A 53 3.803 4.461 -0.914 1.00 0.00 N ATOM 801 CA TRP A 53 4.493 3.602 0.087 1.00 0.00 C ATOM 802 C TRP A 53 3.632 2.361 0.356 1.00 0.00 C ATOM 803 O TRP A 53 2.934 1.889 -0.520 1.00 0.00 O ATOM 804 CB TRP A 53 4.626 4.481 1.335 1.00 0.00 C ATOM 805 CG TRP A 53 3.317 5.140 1.628 1.00 0.00 C ATOM 806 CD1 TRP A 53 2.453 4.756 2.595 1.00 0.00 C ATOM 807 CD2 TRP A 53 2.709 6.291 0.969 1.00 0.00 C ATOM 808 NE1 TRP A 53 1.353 5.593 2.571 1.00 0.00 N ATOM 809 CE2 TRP A 53 1.464 6.555 1.586 1.00 0.00 C ATOM 810 CE3 TRP A 53 3.109 7.123 -0.094 1.00 0.00 C ATOM 811 CZ2 TRP A 53 0.647 7.603 1.164 1.00 0.00 C ATOM 812 CZ3 TRP A 53 2.285 8.179 -0.519 1.00 0.00 C ATOM 813 CH2 TRP A 53 1.057 8.415 0.111 1.00 0.00 C ATOM 0 H TRP A 53 2.808 4.606 -0.740 1.00 0.00 H new ATOM 0 HA TRP A 53 5.469 3.246 -0.243 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.938 3.876 2.186 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.397 5.235 1.180 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.599 3.930 3.275 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.557 5.510 3.203 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.055 6.949 -0.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.299 7.784 1.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.600 8.812 -1.336 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.428 9.228 -0.221 1.00 0.00 H new ATOM 824 N ARG A 54 3.665 1.823 1.543 1.00 0.00 N ATOM 825 CA ARG A 54 2.837 0.612 1.823 1.00 0.00 C ATOM 826 C ARG A 54 2.049 0.780 3.125 1.00 0.00 C ATOM 827 O ARG A 54 2.420 1.542 3.996 1.00 0.00 O ATOM 828 CB ARG A 54 3.839 -0.535 1.948 1.00 0.00 C ATOM 829 CG ARG A 54 4.956 -0.137 2.914 1.00 0.00 C ATOM 830 CD ARG A 54 6.029 -1.226 2.930 1.00 0.00 C ATOM 831 NE ARG A 54 7.318 -0.493 3.059 1.00 0.00 N ATOM 832 CZ ARG A 54 8.433 -1.156 3.195 1.00 0.00 C ATOM 833 NH1 ARG A 54 8.516 -2.387 2.769 1.00 0.00 N ATOM 834 NH2 ARG A 54 9.466 -0.590 3.757 1.00 0.00 N ATOM 0 H ARG A 54 4.223 2.164 2.326 1.00 0.00 H new ATOM 0 HA ARG A 54 2.103 0.433 1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.336 -1.433 2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.258 -0.774 0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.393 0.814 2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.551 0.004 3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.881 -1.914 3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.002 -1.820 2.017 1.00 0.00 H new ATOM 0 HE ARG A 54 7.329 0.527 3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.709 -2.830 2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.388 -2.906 2.875 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.402 0.372 4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.337 -1.109 3.863 1.00 0.00 H new ATOM 848 N SER A 55 0.963 0.068 3.261 1.00 0.00 N ATOM 849 CA SER A 55 0.145 0.175 4.503 1.00 0.00 C ATOM 850 C SER A 55 0.598 -0.875 5.521 1.00 0.00 C ATOM 851 O SER A 55 0.635 -0.626 6.709 1.00 0.00 O ATOM 852 CB SER A 55 -1.292 -0.096 4.055 1.00 0.00 C ATOM 853 OG SER A 55 -1.523 0.543 2.808 1.00 0.00 O ATOM 0 H SER A 55 0.606 -0.585 2.563 1.00 0.00 H new ATOM 0 HA SER A 55 0.244 1.149 4.983 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.460 -1.169 3.964 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.994 0.274 4.802 1.00 0.00 H new ATOM 0 HG SER A 55 -1.976 1.399 2.958 1.00 0.00 H new ATOM 859 N TYR A 56 0.946 -2.045 5.062 1.00 0.00 N ATOM 860 CA TYR A 56 1.400 -3.110 6.002 1.00 0.00 C ATOM 861 C TYR A 56 0.453 -3.198 7.202 1.00 0.00 C ATOM 862 O TYR A 56 0.832 -3.628 8.273 1.00 0.00 O ATOM 863 CB TYR A 56 2.793 -2.669 6.452 1.00 0.00 C ATOM 864 CG TYR A 56 3.808 -3.706 6.035 1.00 0.00 C ATOM 865 CD1 TYR A 56 3.717 -4.309 4.775 1.00 0.00 C ATOM 866 CD2 TYR A 56 4.841 -4.064 6.911 1.00 0.00 C ATOM 867 CE1 TYR A 56 4.659 -5.271 4.391 1.00 0.00 C ATOM 868 CE2 TYR A 56 5.783 -5.025 6.526 1.00 0.00 C ATOM 869 CZ TYR A 56 5.691 -5.629 5.266 1.00 0.00 C ATOM 870 OH TYR A 56 6.619 -6.578 4.887 1.00 0.00 O ATOM 0 H TYR A 56 0.936 -2.310 4.077 1.00 0.00 H new ATOM 0 HA TYR A 56 1.412 -4.095 5.535 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.041 -1.704 6.010 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.813 -2.539 7.534 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.921 -4.032 4.100 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.910 -3.599 7.883 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.589 -5.737 3.419 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.580 -5.301 7.200 1.00 0.00 H new ATOM 0 HH TYR A 56 6.292 -7.470 5.129 1.00 0.00 H new ATOM 880 N GLU A 57 -0.775 -2.793 7.033 1.00 0.00 N ATOM 881 CA GLU A 57 -1.741 -2.854 8.166 1.00 0.00 C ATOM 882 C GLU A 57 -3.087 -3.405 7.686 1.00 0.00 C ATOM 883 O GLU A 57 -3.105 -4.520 7.192 1.00 0.00 O ATOM 884 CB GLU A 57 -1.890 -1.407 8.638 1.00 0.00 C ATOM 885 CG GLU A 57 -2.460 -1.389 10.058 1.00 0.00 C ATOM 886 CD GLU A 57 -1.394 -1.871 11.045 1.00 0.00 C ATOM 887 OE1 GLU A 57 -1.305 -3.070 11.251 1.00 0.00 O ATOM 888 OE2 GLU A 57 -0.685 -1.032 11.576 1.00 0.00 O ATOM 889 OXT GLU A 57 -4.075 -2.702 7.821 1.00 0.00 O ATOM 0 H GLU A 57 -1.151 -2.423 6.160 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.398 -3.510 8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.923 -0.905 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.548 -0.859 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.782 -0.381 10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.340 -2.030 10.116 1.00 0.00 H new TER 896 GLU A 57 HETATM 897 ZN ZN A 58 3.302 13.709 -2.204 1.00 0.00 ZN