USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 484 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= -0.167 (180deg=-1.08) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 9 ASN : amide:sc= -1.19 K(o=-1.2,f=-5.1!) USER MOD Single : A 12 GLN : amide:sc= -4.66! C(o=-4.7!,f=-2.2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -60:sc= 0.164 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.952 K(o=-0.95,f=-4.2!) USER MOD Single : A 46 SER OG : rot 4:sc= 0.442 USER MOD Single : A 49 LYS NZ :NH3+ 157:sc= -0.156 (180deg=-0.923) USER MOD Single : A 53 ASN : amide:sc= -9.74! C(o=-9.7!,f=-0.69!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.362 5.735 -14.360 1.00 0.00 N ATOM 2 CA MET A 1 1.747 6.905 -13.671 1.00 0.00 C ATOM 3 C MET A 1 1.740 6.658 -12.160 1.00 0.00 C ATOM 4 O MET A 1 1.690 5.531 -11.707 1.00 0.00 O ATOM 5 CB MET A 1 0.310 7.091 -14.164 1.00 0.00 C ATOM 6 CG MET A 1 0.318 7.345 -15.673 1.00 0.00 C ATOM 7 SD MET A 1 0.938 9.014 -16.001 1.00 0.00 S ATOM 8 CE MET A 1 0.600 9.036 -17.779 1.00 0.00 C ATOM 0 H1 MET A 1 2.981 6.069 -15.126 1.00 0.00 H new ATOM 0 H2 MET A 1 2.922 5.185 -13.678 1.00 0.00 H new ATOM 0 H3 MET A 1 1.613 5.133 -14.757 1.00 0.00 H new ATOM 0 HA MET A 1 2.325 7.803 -13.891 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.282 6.204 -13.937 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.158 7.928 -13.646 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.946 6.608 -16.173 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.688 7.234 -16.077 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.911 9.994 -18.197 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.153 8.232 -18.264 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.468 8.896 -17.948 1.00 0.00 H new ATOM 20 N TYR A 2 1.794 7.701 -11.377 1.00 0.00 N ATOM 21 CA TYR A 2 1.793 7.521 -9.897 1.00 0.00 C ATOM 22 C TYR A 2 0.417 6.999 -9.458 1.00 0.00 C ATOM 23 O TYR A 2 -0.607 7.541 -9.826 1.00 0.00 O ATOM 24 CB TYR A 2 2.108 8.880 -9.219 1.00 0.00 C ATOM 25 CG TYR A 2 3.201 8.715 -8.179 1.00 0.00 C ATOM 26 CD1 TYR A 2 2.893 8.197 -6.915 1.00 0.00 C ATOM 27 CD2 TYR A 2 4.519 9.080 -8.484 1.00 0.00 C ATOM 28 CE1 TYR A 2 3.903 8.043 -5.957 1.00 0.00 C ATOM 29 CE2 TYR A 2 5.527 8.925 -7.526 1.00 0.00 C ATOM 30 CZ TYR A 2 5.219 8.406 -6.262 1.00 0.00 C ATOM 31 OH TYR A 2 6.214 8.255 -5.318 1.00 0.00 O ATOM 0 H TYR A 2 1.839 8.668 -11.697 1.00 0.00 H new ATOM 0 HA TYR A 2 2.554 6.799 -9.601 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.420 9.605 -9.971 1.00 0.00 H new ATOM 0 HB3 TYR A 2 1.208 9.276 -8.749 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.877 7.916 -6.679 1.00 0.00 H new ATOM 0 HD2 TYR A 2 4.757 9.481 -9.458 1.00 0.00 H new ATOM 0 HE1 TYR A 2 3.666 7.644 -4.982 1.00 0.00 H new ATOM 0 HE2 TYR A 2 6.543 9.206 -7.761 1.00 0.00 H new ATOM 0 HH TYR A 2 7.069 8.554 -5.693 1.00 0.00 H new ATOM 41 N LEU A 3 0.390 5.948 -8.676 1.00 0.00 N ATOM 42 CA LEU A 3 -0.911 5.379 -8.205 1.00 0.00 C ATOM 43 C LEU A 3 -1.148 5.799 -6.755 1.00 0.00 C ATOM 44 O LEU A 3 -0.388 5.462 -5.869 1.00 0.00 O ATOM 45 CB LEU A 3 -0.859 3.849 -8.285 1.00 0.00 C ATOM 46 CG LEU A 3 -0.529 3.408 -9.719 1.00 0.00 C ATOM 47 CD1 LEU A 3 -0.106 1.938 -9.713 1.00 0.00 C ATOM 48 CD2 LEU A 3 -1.759 3.573 -10.623 1.00 0.00 C ATOM 0 H LEU A 3 1.219 5.457 -8.342 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.720 5.750 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.106 3.466 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.816 3.428 -7.978 1.00 0.00 H new ATOM 0 HG LEU A 3 0.281 4.029 -10.101 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.129 1.623 -10.730 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.775 1.815 -9.083 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.920 1.327 -9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.511 3.257 -11.636 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.576 2.960 -10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.065 4.619 -10.634 1.00 0.00 H new ATOM 60 N THR A 4 -2.196 6.533 -6.504 1.00 0.00 N ATOM 61 CA THR A 4 -2.479 6.973 -5.111 1.00 0.00 C ATOM 62 C THR A 4 -3.055 5.802 -4.314 1.00 0.00 C ATOM 63 O THR A 4 -3.417 4.781 -4.865 1.00 0.00 O ATOM 64 CB THR A 4 -3.491 8.122 -5.133 1.00 0.00 C ATOM 65 OG1 THR A 4 -4.715 7.659 -5.686 1.00 0.00 O ATOM 66 CG2 THR A 4 -2.948 9.270 -5.984 1.00 0.00 C ATOM 0 H THR A 4 -2.868 6.847 -7.204 1.00 0.00 H new ATOM 0 HA THR A 4 -1.555 7.312 -4.643 1.00 0.00 H new ATOM 0 HB THR A 4 -3.660 8.477 -4.116 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.366 8.392 -5.700 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.670 10.086 -5.998 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.008 9.624 -5.560 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.777 8.919 -7.002 1.00 0.00 H new ATOM 74 N LEU A 5 -3.144 5.943 -3.019 1.00 0.00 N ATOM 75 CA LEU A 5 -3.699 4.845 -2.174 1.00 0.00 C ATOM 76 C LEU A 5 -4.978 4.300 -2.818 1.00 0.00 C ATOM 77 O LEU A 5 -5.097 3.122 -3.093 1.00 0.00 O ATOM 78 CB LEU A 5 -4.022 5.410 -0.787 1.00 0.00 C ATOM 79 CG LEU A 5 -4.180 4.271 0.235 1.00 0.00 C ATOM 80 CD1 LEU A 5 -4.269 4.871 1.641 1.00 0.00 C ATOM 81 CD2 LEU A 5 -5.454 3.454 -0.062 1.00 0.00 C ATOM 0 H LEU A 5 -2.855 6.776 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.972 4.037 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.227 6.085 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.940 5.997 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.318 3.607 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.381 4.070 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.360 5.433 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.129 5.538 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.551 2.652 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.326 4.106 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.387 3.026 -1.062 1.00 0.00 H new ATOM 93 N GLN A 6 -5.931 5.154 -3.054 1.00 0.00 N ATOM 94 CA GLN A 6 -7.211 4.702 -3.674 1.00 0.00 C ATOM 95 C GLN A 6 -6.930 3.788 -4.871 1.00 0.00 C ATOM 96 O GLN A 6 -7.312 2.635 -4.885 1.00 0.00 O ATOM 97 CB GLN A 6 -8.005 5.924 -4.142 1.00 0.00 C ATOM 98 CG GLN A 6 -8.486 6.717 -2.924 1.00 0.00 C ATOM 99 CD GLN A 6 -9.424 7.837 -3.378 1.00 0.00 C ATOM 100 OE1 GLN A 6 -9.639 8.024 -4.560 1.00 0.00 O ATOM 101 NE2 GLN A 6 -9.993 8.597 -2.484 1.00 0.00 N ATOM 0 H GLN A 6 -5.881 6.151 -2.844 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.787 4.146 -2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -7.382 6.554 -4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.857 5.609 -4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.003 6.056 -2.228 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.633 7.137 -2.391 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.813 8.440 -1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.618 9.348 -2.776 1.00 0.00 H new ATOM 110 N GLU A 7 -6.274 4.293 -5.880 1.00 0.00 N ATOM 111 CA GLU A 7 -5.984 3.453 -7.080 1.00 0.00 C ATOM 112 C GLU A 7 -5.006 2.331 -6.713 1.00 0.00 C ATOM 113 O GLU A 7 -5.210 1.183 -7.052 1.00 0.00 O ATOM 114 CB GLU A 7 -5.367 4.327 -8.174 1.00 0.00 C ATOM 115 CG GLU A 7 -6.363 5.416 -8.580 1.00 0.00 C ATOM 116 CD GLU A 7 -7.571 4.774 -9.263 1.00 0.00 C ATOM 117 OE1 GLU A 7 -7.516 4.586 -10.467 1.00 0.00 O ATOM 118 OE2 GLU A 7 -8.533 4.482 -8.570 1.00 0.00 O ATOM 0 H GLU A 7 -5.926 5.251 -5.927 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.914 3.012 -7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.443 4.780 -7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.107 3.716 -9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.684 5.976 -7.702 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.886 6.127 -9.255 1.00 0.00 H new ATOM 125 N TRP A 8 -3.945 2.657 -6.027 1.00 0.00 N ATOM 126 CA TRP A 8 -2.947 1.616 -5.639 1.00 0.00 C ATOM 127 C TRP A 8 -3.667 0.381 -5.094 1.00 0.00 C ATOM 128 O TRP A 8 -3.287 -0.741 -5.365 1.00 0.00 O ATOM 129 CB TRP A 8 -2.031 2.193 -4.563 1.00 0.00 C ATOM 130 CG TRP A 8 -0.971 1.203 -4.200 1.00 0.00 C ATOM 131 CD1 TRP A 8 0.100 0.890 -4.966 1.00 0.00 C ATOM 132 CD2 TRP A 8 -0.857 0.400 -2.990 1.00 0.00 C ATOM 133 NE1 TRP A 8 0.864 -0.051 -4.299 1.00 0.00 N ATOM 134 CE2 TRP A 8 0.315 -0.383 -3.080 1.00 0.00 C ATOM 135 CE3 TRP A 8 -1.648 0.277 -1.834 1.00 0.00 C ATOM 136 CZ2 TRP A 8 0.693 -1.253 -2.064 1.00 0.00 C ATOM 137 CZ3 TRP A 8 -1.271 -0.604 -0.806 1.00 0.00 C ATOM 138 CH2 TRP A 8 -0.099 -1.367 -0.922 1.00 0.00 C ATOM 0 H TRP A 8 -3.724 3.603 -5.717 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.361 1.325 -6.511 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.571 3.113 -4.922 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.614 2.452 -3.679 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.322 1.306 -5.938 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.728 -0.450 -4.665 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.550 0.863 -1.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.596 -1.838 -2.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.886 -0.694 0.077 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.189 -2.041 -0.129 1.00 0.00 H new ATOM 149 N ASN A 9 -4.704 0.575 -4.327 1.00 0.00 N ATOM 150 CA ASN A 9 -5.448 -0.589 -3.769 1.00 0.00 C ATOM 151 C ASN A 9 -6.413 -1.126 -4.826 1.00 0.00 C ATOM 152 O ASN A 9 -6.488 -2.315 -5.069 1.00 0.00 O ATOM 153 CB ASN A 9 -6.236 -0.146 -2.535 1.00 0.00 C ATOM 154 CG ASN A 9 -7.026 -1.333 -1.979 1.00 0.00 C ATOM 155 OD1 ASN A 9 -6.457 -2.352 -1.645 1.00 0.00 O ATOM 156 ND2 ASN A 9 -8.323 -1.242 -1.867 1.00 0.00 N ATOM 0 H ASN A 9 -5.069 1.490 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.744 -1.372 -3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.556 0.239 -1.775 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.915 0.666 -2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.859 -2.027 -1.499 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.800 -0.385 -2.148 1.00 0.00 H new ATOM 163 N ALA A 10 -7.154 -0.257 -5.457 1.00 0.00 N ATOM 164 CA ALA A 10 -8.119 -0.708 -6.501 1.00 0.00 C ATOM 165 C ALA A 10 -7.366 -1.415 -7.632 1.00 0.00 C ATOM 166 O ALA A 10 -7.955 -1.858 -8.597 1.00 0.00 O ATOM 167 CB ALA A 10 -8.855 0.506 -7.066 1.00 0.00 C ATOM 0 H ALA A 10 -7.133 0.750 -5.294 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.834 -1.400 -6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.561 0.180 -7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.394 1.010 -6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.135 1.195 -7.508 1.00 0.00 H new ATOM 173 N ARG A 11 -6.069 -1.518 -7.524 1.00 0.00 N ATOM 174 CA ARG A 11 -5.278 -2.192 -8.598 1.00 0.00 C ATOM 175 C ARG A 11 -5.233 -3.698 -8.328 1.00 0.00 C ATOM 176 O ARG A 11 -5.286 -4.503 -9.237 1.00 0.00 O ATOM 177 CB ARG A 11 -3.849 -1.625 -8.606 1.00 0.00 C ATOM 178 CG ARG A 11 -3.818 -0.269 -9.341 1.00 0.00 C ATOM 179 CD ARG A 11 -3.623 -0.486 -10.847 1.00 0.00 C ATOM 180 NE ARG A 11 -2.181 -0.732 -11.127 1.00 0.00 N ATOM 181 CZ ARG A 11 -1.813 -1.229 -12.276 1.00 0.00 C ATOM 182 NH1 ARG A 11 -2.710 -1.510 -13.182 1.00 0.00 N ATOM 183 NH2 ARG A 11 -0.549 -1.446 -12.518 1.00 0.00 N ATOM 0 H ARG A 11 -5.521 -1.165 -6.739 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.745 -2.013 -9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.494 -1.501 -7.583 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.174 -2.327 -9.095 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.748 0.271 -9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.010 0.348 -8.948 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.220 -1.333 -11.184 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.969 0.388 -11.400 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.480 -0.512 -10.420 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.698 -1.341 -12.991 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.423 -1.899 -14.080 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.151 -1.227 -11.809 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.261 -1.835 -13.416 1.00 0.00 H new ATOM 197 N GLN A 12 -5.142 -4.086 -7.087 1.00 0.00 N ATOM 198 CA GLN A 12 -5.100 -5.540 -6.764 1.00 0.00 C ATOM 199 C GLN A 12 -6.490 -6.144 -6.978 1.00 0.00 C ATOM 200 O GLN A 12 -7.493 -5.537 -6.661 1.00 0.00 O ATOM 201 CB GLN A 12 -4.679 -5.726 -5.304 1.00 0.00 C ATOM 202 CG GLN A 12 -3.196 -5.379 -5.151 1.00 0.00 C ATOM 203 CD GLN A 12 -2.993 -3.882 -5.394 1.00 0.00 C ATOM 204 OE1 GLN A 12 -3.389 -3.064 -4.586 1.00 0.00 O ATOM 205 NE2 GLN A 12 -2.391 -3.486 -6.481 1.00 0.00 N ATOM 0 H GLN A 12 -5.095 -3.460 -6.283 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.381 -6.040 -7.413 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.281 -5.088 -4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.857 -6.755 -4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.851 -5.646 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.602 -5.957 -5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.059 -4.172 -7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.252 -2.490 -6.653 1.00 0.00 H new ATOM 214 N ARG A 13 -6.560 -7.334 -7.516 1.00 0.00 N ATOM 215 CA ARG A 13 -7.891 -7.967 -7.749 1.00 0.00 C ATOM 216 C ARG A 13 -8.393 -8.602 -6.448 1.00 0.00 C ATOM 217 O ARG A 13 -9.457 -9.187 -6.405 1.00 0.00 O ATOM 218 CB ARG A 13 -7.768 -9.038 -8.840 1.00 0.00 C ATOM 219 CG ARG A 13 -6.947 -10.221 -8.321 1.00 0.00 C ATOM 220 CD ARG A 13 -6.522 -11.101 -9.498 1.00 0.00 C ATOM 221 NE ARG A 13 -6.024 -12.410 -8.987 1.00 0.00 N ATOM 222 CZ ARG A 13 -5.892 -13.420 -9.801 1.00 0.00 C ATOM 223 NH1 ARG A 13 -6.204 -13.286 -11.062 1.00 0.00 N ATOM 224 NH2 ARG A 13 -5.451 -14.566 -9.357 1.00 0.00 N ATOM 0 H ARG A 13 -5.756 -7.893 -7.803 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.602 -7.207 -8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.759 -9.377 -9.142 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.292 -8.615 -9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.068 -9.861 -7.786 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.536 -10.803 -7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.365 -11.258 -10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.742 -10.603 -10.075 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.787 -12.515 -8.001 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.551 -12.392 -11.409 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.101 -14.076 -11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.209 -14.672 -8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.348 -15.355 -9.995 1.00 0.00 H new ATOM 238 N ARG A 14 -7.639 -8.485 -5.387 1.00 0.00 N ATOM 239 CA ARG A 14 -8.072 -9.073 -4.082 1.00 0.00 C ATOM 240 C ARG A 14 -7.570 -8.184 -2.936 1.00 0.00 C ATOM 241 O ARG A 14 -6.760 -8.598 -2.129 1.00 0.00 O ATOM 242 CB ARG A 14 -7.487 -10.492 -3.940 1.00 0.00 C ATOM 243 CG ARG A 14 -8.431 -11.520 -4.586 1.00 0.00 C ATOM 244 CD ARG A 14 -7.802 -12.932 -4.546 1.00 0.00 C ATOM 245 NE ARG A 14 -7.987 -13.615 -5.868 1.00 0.00 N ATOM 246 CZ ARG A 14 -9.145 -13.615 -6.479 1.00 0.00 C ATOM 247 NH1 ARG A 14 -10.200 -13.111 -5.900 1.00 0.00 N ATOM 248 NH2 ARG A 14 -9.252 -14.152 -7.663 1.00 0.00 N ATOM 0 H ARG A 14 -6.739 -8.006 -5.366 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.160 -9.130 -4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.507 -10.539 -4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.343 -10.731 -2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -9.386 -11.526 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.636 -11.236 -5.618 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.740 -12.859 -4.311 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.264 -13.522 -3.755 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.194 -14.089 -6.300 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.127 -12.713 -4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.098 -13.115 -6.384 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.435 -14.570 -8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.152 -14.154 -8.143 1.00 0.00 H new ATOM 262 N PRO A 15 -8.055 -6.973 -2.864 1.00 0.00 N ATOM 263 CA PRO A 15 -7.663 -6.007 -1.801 1.00 0.00 C ATOM 264 C PRO A 15 -8.479 -6.218 -0.520 1.00 0.00 C ATOM 265 O PRO A 15 -9.020 -7.280 -0.290 1.00 0.00 O ATOM 266 CB PRO A 15 -7.987 -4.656 -2.441 1.00 0.00 C ATOM 267 CG PRO A 15 -9.183 -4.930 -3.298 1.00 0.00 C ATOM 268 CD PRO A 15 -9.035 -6.380 -3.794 1.00 0.00 C ATOM 0 HA PRO A 15 -6.622 -6.107 -1.494 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.203 -3.900 -1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.150 -4.285 -3.033 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.105 -4.805 -2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.228 -4.235 -4.136 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -9.986 -6.912 -3.765 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.681 -6.416 -4.824 1.00 0.00 H new ATOM 276 N ARG A 16 -8.583 -5.212 0.308 1.00 0.00 N ATOM 277 CA ARG A 16 -9.373 -5.352 1.568 1.00 0.00 C ATOM 278 C ARG A 16 -10.001 -4.000 1.920 1.00 0.00 C ATOM 279 O ARG A 16 -10.544 -3.323 1.069 1.00 0.00 O ATOM 280 CB ARG A 16 -8.454 -5.815 2.704 1.00 0.00 C ATOM 281 CG ARG A 16 -7.883 -7.199 2.369 1.00 0.00 C ATOM 282 CD ARG A 16 -7.321 -7.853 3.634 1.00 0.00 C ATOM 283 NE ARG A 16 -8.439 -8.420 4.440 1.00 0.00 N ATOM 284 CZ ARG A 16 -8.190 -9.284 5.385 1.00 0.00 C ATOM 285 NH1 ARG A 16 -6.960 -9.652 5.627 1.00 0.00 N ATOM 286 NH2 ARG A 16 -9.169 -9.784 6.087 1.00 0.00 N ATOM 0 H ARG A 16 -8.154 -4.297 0.166 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.161 -6.092 1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.643 -5.100 2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.009 -5.856 3.641 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.662 -7.829 1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.098 -7.106 1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.616 -8.640 3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.771 -7.118 4.222 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.399 -8.132 4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.194 -9.264 5.077 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.766 -10.328 6.366 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.130 -9.499 5.897 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.974 -10.460 6.826 1.00 0.00 H new ATOM 300 N SER A 17 -9.944 -3.598 3.163 1.00 0.00 N ATOM 301 CA SER A 17 -10.550 -2.288 3.557 1.00 0.00 C ATOM 302 C SER A 17 -9.489 -1.185 3.518 1.00 0.00 C ATOM 303 O SER A 17 -8.303 -1.441 3.575 1.00 0.00 O ATOM 304 CB SER A 17 -11.115 -2.398 4.975 1.00 0.00 C ATOM 305 OG SER A 17 -12.282 -3.208 4.954 1.00 0.00 O ATOM 0 H SER A 17 -9.505 -4.118 3.923 1.00 0.00 H new ATOM 0 HA SER A 17 -11.349 -2.039 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.370 -2.831 5.643 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.353 -1.407 5.362 1.00 0.00 H new ATOM 0 HG SER A 17 -12.645 -3.282 5.861 1.00 0.00 H new ATOM 311 N LEU A 18 -9.912 0.044 3.422 1.00 0.00 N ATOM 312 CA LEU A 18 -8.941 1.168 3.384 1.00 0.00 C ATOM 313 C LEU A 18 -8.357 1.364 4.782 1.00 0.00 C ATOM 314 O LEU A 18 -7.186 1.643 4.943 1.00 0.00 O ATOM 315 CB LEU A 18 -9.661 2.440 2.936 1.00 0.00 C ATOM 316 CG LEU A 18 -10.087 2.297 1.468 1.00 0.00 C ATOM 317 CD1 LEU A 18 -11.218 1.259 1.325 1.00 0.00 C ATOM 318 CD2 LEU A 18 -10.562 3.658 0.949 1.00 0.00 C ATOM 0 H LEU A 18 -10.893 0.318 3.368 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.137 0.947 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.534 2.616 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.005 3.302 3.053 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.233 1.954 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.504 1.174 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.871 0.291 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.080 1.577 1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.866 3.564 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.409 3.999 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.750 4.381 1.026 1.00 0.00 H new ATOM 330 N GLU A 19 -9.160 1.204 5.799 1.00 0.00 N ATOM 331 CA GLU A 19 -8.638 1.361 7.183 1.00 0.00 C ATOM 332 C GLU A 19 -7.674 0.214 7.458 1.00 0.00 C ATOM 333 O GLU A 19 -6.775 0.316 8.269 1.00 0.00 O ATOM 334 CB GLU A 19 -9.795 1.320 8.186 1.00 0.00 C ATOM 335 CG GLU A 19 -10.831 2.388 7.822 1.00 0.00 C ATOM 336 CD GLU A 19 -11.660 1.913 6.626 1.00 0.00 C ATOM 337 OE1 GLU A 19 -12.239 0.844 6.720 1.00 0.00 O ATOM 338 OE2 GLU A 19 -11.700 2.628 5.638 1.00 0.00 O ATOM 0 H GLU A 19 -10.151 0.972 5.730 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.126 2.318 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.258 0.333 8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.421 1.492 9.195 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.482 2.583 8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.332 3.326 7.581 1.00 0.00 H new ATOM 345 N THR A 20 -7.838 -0.876 6.764 1.00 0.00 N ATOM 346 CA THR A 20 -6.914 -2.016 6.961 1.00 0.00 C ATOM 347 C THR A 20 -5.545 -1.578 6.434 1.00 0.00 C ATOM 348 O THR A 20 -4.516 -1.919 6.982 1.00 0.00 O ATOM 349 CB THR A 20 -7.457 -3.241 6.196 1.00 0.00 C ATOM 350 OG1 THR A 20 -8.264 -4.015 7.072 1.00 0.00 O ATOM 351 CG2 THR A 20 -6.316 -4.114 5.663 1.00 0.00 C ATOM 0 H THR A 20 -8.572 -1.023 6.071 1.00 0.00 H new ATOM 0 HA THR A 20 -6.826 -2.299 8.010 1.00 0.00 H new ATOM 0 HB THR A 20 -8.043 -2.886 5.348 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.614 -4.794 6.592 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.731 -4.969 5.129 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.696 -3.528 4.984 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.708 -4.467 6.496 1.00 0.00 H new ATOM 359 N VAL A 21 -5.532 -0.799 5.383 1.00 0.00 N ATOM 360 CA VAL A 21 -4.237 -0.314 4.837 1.00 0.00 C ATOM 361 C VAL A 21 -3.594 0.620 5.866 1.00 0.00 C ATOM 362 O VAL A 21 -2.394 0.612 6.057 1.00 0.00 O ATOM 363 CB VAL A 21 -4.472 0.435 3.518 1.00 0.00 C ATOM 364 CG1 VAL A 21 -3.217 1.229 3.136 1.00 0.00 C ATOM 365 CG2 VAL A 21 -4.782 -0.576 2.410 1.00 0.00 C ATOM 0 H VAL A 21 -6.362 -0.480 4.883 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.576 -1.158 4.640 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.310 1.121 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.392 1.758 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.989 1.949 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.377 0.545 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.950 -0.047 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.941 -1.260 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.676 -1.141 2.673 1.00 0.00 H new ATOM 375 N ARG A 22 -4.375 1.422 6.543 1.00 0.00 N ATOM 376 CA ARG A 22 -3.778 2.334 7.559 1.00 0.00 C ATOM 377 C ARG A 22 -2.922 1.496 8.508 1.00 0.00 C ATOM 378 O ARG A 22 -1.850 1.895 8.915 1.00 0.00 O ATOM 379 CB ARG A 22 -4.890 3.038 8.350 1.00 0.00 C ATOM 380 CG ARG A 22 -5.558 4.129 7.482 1.00 0.00 C ATOM 381 CD ARG A 22 -4.852 5.484 7.686 1.00 0.00 C ATOM 382 NE ARG A 22 -3.415 5.262 8.007 1.00 0.00 N ATOM 383 CZ ARG A 22 -2.567 6.249 7.917 1.00 0.00 C ATOM 384 NH1 ARG A 22 -2.978 7.431 7.547 1.00 0.00 N ATOM 385 NH2 ARG A 22 -1.308 6.056 8.199 1.00 0.00 N ATOM 0 H ARG A 22 -5.388 1.484 6.437 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.168 3.092 7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.636 2.310 8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.476 3.486 9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.515 3.844 6.431 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.612 4.217 7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.943 6.091 6.785 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.333 6.037 8.493 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.094 4.338 8.297 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.963 7.583 7.328 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.315 8.203 7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.986 5.133 8.490 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.645 6.828 8.128 1.00 0.00 H new ATOM 399 N ARG A 23 -3.385 0.322 8.844 1.00 0.00 N ATOM 400 CA ARG A 23 -2.598 -0.560 9.743 1.00 0.00 C ATOM 401 C ARG A 23 -1.349 -1.021 8.996 1.00 0.00 C ATOM 402 O ARG A 23 -0.275 -1.112 9.557 1.00 0.00 O ATOM 403 CB ARG A 23 -3.441 -1.775 10.137 1.00 0.00 C ATOM 404 CG ARG A 23 -4.755 -1.302 10.766 1.00 0.00 C ATOM 405 CD ARG A 23 -5.543 -2.510 11.273 1.00 0.00 C ATOM 406 NE ARG A 23 -6.726 -2.043 12.047 1.00 0.00 N ATOM 407 CZ ARG A 23 -7.695 -2.872 12.322 1.00 0.00 C ATOM 408 NH1 ARG A 23 -7.628 -4.110 11.917 1.00 0.00 N ATOM 409 NH2 ARG A 23 -8.731 -2.463 13.002 1.00 0.00 N ATOM 0 H ARG A 23 -4.277 -0.062 8.532 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.315 -0.019 10.646 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.646 -2.389 9.260 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.892 -2.399 10.842 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.551 -0.617 11.589 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.344 -0.752 10.032 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.865 -3.126 10.433 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.908 -3.134 11.901 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.779 -1.074 12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.818 -4.430 11.386 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.385 -4.759 12.132 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.783 -1.495 13.319 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.488 -3.111 13.217 1.00 0.00 H new ATOM 423 N TRP A 24 -1.483 -1.313 7.728 1.00 0.00 N ATOM 424 CA TRP A 24 -0.303 -1.766 6.947 1.00 0.00 C ATOM 425 C TRP A 24 0.802 -0.715 7.050 1.00 0.00 C ATOM 426 O TRP A 24 1.928 -1.013 7.398 1.00 0.00 O ATOM 427 CB TRP A 24 -0.682 -1.952 5.475 1.00 0.00 C ATOM 428 CG TRP A 24 -1.762 -2.981 5.325 1.00 0.00 C ATOM 429 CD1 TRP A 24 -2.327 -3.700 6.329 1.00 0.00 C ATOM 430 CD2 TRP A 24 -2.415 -3.417 4.100 1.00 0.00 C ATOM 431 NE1 TRP A 24 -3.280 -4.547 5.789 1.00 0.00 N ATOM 432 CE2 TRP A 24 -3.371 -4.409 4.417 1.00 0.00 C ATOM 433 CE3 TRP A 24 -2.266 -3.046 2.754 1.00 0.00 C ATOM 434 CZ2 TRP A 24 -4.154 -5.012 3.430 1.00 0.00 C ATOM 435 CZ3 TRP A 24 -3.049 -3.650 1.757 1.00 0.00 C ATOM 436 CH2 TRP A 24 -3.992 -4.632 2.095 1.00 0.00 C ATOM 0 H TRP A 24 -2.357 -1.256 7.205 1.00 0.00 H new ATOM 0 HA TRP A 24 0.045 -2.717 7.349 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -1.019 -1.002 5.060 1.00 0.00 H new ATOM 0 HB3 TRP A 24 0.196 -2.255 4.905 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.075 -3.624 7.376 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -3.846 -5.194 6.337 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.544 -2.290 2.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.879 -5.766 3.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.925 -3.357 0.725 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.592 -5.094 1.325 1.00 0.00 H new ATOM 447 N VAL A 25 0.486 0.514 6.748 1.00 0.00 N ATOM 448 CA VAL A 25 1.517 1.588 6.825 1.00 0.00 C ATOM 449 C VAL A 25 2.098 1.629 8.241 1.00 0.00 C ATOM 450 O VAL A 25 3.271 1.881 8.432 1.00 0.00 O ATOM 451 CB VAL A 25 0.871 2.938 6.504 1.00 0.00 C ATOM 452 CG1 VAL A 25 1.897 4.057 6.708 1.00 0.00 C ATOM 453 CG2 VAL A 25 0.384 2.947 5.048 1.00 0.00 C ATOM 0 H VAL A 25 -0.440 0.821 6.452 1.00 0.00 H new ATOM 0 HA VAL A 25 2.311 1.384 6.107 1.00 0.00 H new ATOM 0 HB VAL A 25 0.021 3.098 7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.437 5.018 6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.237 4.054 7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.748 3.895 6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.075 3.910 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.230 2.784 4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.349 2.153 4.905 1.00 0.00 H new ATOM 463 N ARG A 26 1.290 1.376 9.234 1.00 0.00 N ATOM 464 CA ARG A 26 1.804 1.394 10.632 1.00 0.00 C ATOM 465 C ARG A 26 2.764 0.220 10.829 1.00 0.00 C ATOM 466 O ARG A 26 3.803 0.349 11.443 1.00 0.00 O ATOM 467 CB ARG A 26 0.637 1.265 11.613 1.00 0.00 C ATOM 468 CG ARG A 26 -0.130 2.588 11.683 1.00 0.00 C ATOM 469 CD ARG A 26 -1.179 2.510 12.794 1.00 0.00 C ATOM 470 NE ARG A 26 -2.077 3.697 12.717 1.00 0.00 N ATOM 471 CZ ARG A 26 -3.214 3.697 13.358 1.00 0.00 C ATOM 472 NH1 ARG A 26 -3.564 2.658 14.065 1.00 0.00 N ATOM 473 NH2 ARG A 26 -4.000 4.737 13.291 1.00 0.00 N ATOM 0 H ARG A 26 0.298 1.158 9.138 1.00 0.00 H new ATOM 0 HA ARG A 26 2.326 2.333 10.815 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.030 0.464 11.295 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.009 0.997 12.602 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.559 3.411 11.875 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.612 2.793 10.727 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.761 1.594 12.695 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.690 2.473 13.768 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.803 4.509 12.164 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.949 1.846 14.117 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.452 2.658 14.566 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.726 5.549 12.738 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.889 4.738 13.792 1.00 0.00 H new ATOM 487 N GLU A 27 2.420 -0.924 10.308 1.00 0.00 N ATOM 488 CA GLU A 27 3.308 -2.111 10.458 1.00 0.00 C ATOM 489 C GLU A 27 4.452 -2.024 9.445 1.00 0.00 C ATOM 490 O GLU A 27 5.216 -2.952 9.276 1.00 0.00 O ATOM 491 CB GLU A 27 2.500 -3.386 10.207 1.00 0.00 C ATOM 492 CG GLU A 27 1.521 -3.605 11.362 1.00 0.00 C ATOM 493 CD GLU A 27 2.292 -4.051 12.606 1.00 0.00 C ATOM 494 OE1 GLU A 27 2.659 -5.213 12.668 1.00 0.00 O ATOM 495 OE2 GLU A 27 2.502 -3.223 13.478 1.00 0.00 O ATOM 0 H GLU A 27 1.561 -1.089 9.784 1.00 0.00 H new ATOM 0 HA GLU A 27 3.718 -2.133 11.468 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.956 -3.305 9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.169 -4.242 10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.975 -2.685 11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.782 -4.359 11.089 1.00 0.00 H new ATOM 502 N SER A 28 4.575 -0.912 8.773 1.00 0.00 N ATOM 503 CA SER A 28 5.668 -0.760 7.772 1.00 0.00 C ATOM 504 C SER A 28 5.589 -1.890 6.744 1.00 0.00 C ATOM 505 O SER A 28 6.593 -2.432 6.326 1.00 0.00 O ATOM 506 CB SER A 28 7.018 -0.813 8.486 1.00 0.00 C ATOM 507 OG SER A 28 8.030 -0.336 7.609 1.00 0.00 O ATOM 0 H SER A 28 3.965 -0.101 8.874 1.00 0.00 H new ATOM 0 HA SER A 28 5.561 0.197 7.261 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.988 -0.206 9.391 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.240 -1.835 8.795 1.00 0.00 H new ATOM 0 HG SER A 28 8.062 -0.901 6.809 1.00 0.00 H new ATOM 513 N ARG A 29 4.403 -2.248 6.327 1.00 0.00 N ATOM 514 CA ARG A 29 4.259 -3.342 5.320 1.00 0.00 C ATOM 515 C ARG A 29 4.307 -2.738 3.915 1.00 0.00 C ATOM 516 O ARG A 29 4.615 -3.406 2.950 1.00 0.00 O ATOM 517 CB ARG A 29 2.921 -4.055 5.529 1.00 0.00 C ATOM 518 CG ARG A 29 3.026 -4.990 6.736 1.00 0.00 C ATOM 519 CD ARG A 29 1.662 -5.625 7.009 1.00 0.00 C ATOM 520 NE ARG A 29 1.774 -6.566 8.160 1.00 0.00 N ATOM 521 CZ ARG A 29 0.696 -6.992 8.760 1.00 0.00 C ATOM 522 NH1 ARG A 29 -0.478 -6.600 8.353 1.00 0.00 N ATOM 523 NH2 ARG A 29 0.795 -7.814 9.770 1.00 0.00 N ATOM 0 H ARG A 29 3.527 -1.830 6.640 1.00 0.00 H new ATOM 0 HA ARG A 29 5.070 -4.061 5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.128 -3.324 5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.656 -4.623 4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.768 -5.765 6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.362 -4.435 7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.926 -4.851 7.228 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.312 -6.156 6.124 1.00 0.00 H new ATOM 0 HE ARG A 29 2.692 -6.877 8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.556 -5.959 7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.319 -6.934 8.824 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.714 -8.122 10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.046 -8.148 10.240 1.00 0.00 H new ATOM 537 N ILE A 30 4.012 -1.474 3.792 1.00 0.00 N ATOM 538 CA ILE A 30 4.053 -0.828 2.449 1.00 0.00 C ATOM 539 C ILE A 30 5.508 -0.592 2.057 1.00 0.00 C ATOM 540 O ILE A 30 6.275 -0.035 2.820 1.00 0.00 O ATOM 541 CB ILE A 30 3.329 0.520 2.500 1.00 0.00 C ATOM 542 CG1 ILE A 30 1.930 0.340 3.104 1.00 0.00 C ATOM 543 CG2 ILE A 30 3.206 1.088 1.085 1.00 0.00 C ATOM 544 CD1 ILE A 30 1.179 -0.779 2.377 1.00 0.00 C ATOM 0 H ILE A 30 3.745 -0.860 4.562 1.00 0.00 H new ATOM 0 HA ILE A 30 3.565 -1.476 1.721 1.00 0.00 H new ATOM 0 HB ILE A 30 3.900 1.209 3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.012 0.103 4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.371 1.272 3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.690 2.048 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.200 1.226 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.639 0.395 0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.188 -0.896 2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.081 -0.525 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.733 -1.713 2.476 1.00 0.00 H new ATOM 556 N PHE A 31 5.905 -1.009 0.877 1.00 0.00 N ATOM 557 CA PHE A 31 7.327 -0.800 0.446 1.00 0.00 C ATOM 558 C PHE A 31 7.374 -0.416 -1.053 1.00 0.00 C ATOM 559 O PHE A 31 6.874 -1.157 -1.876 1.00 0.00 O ATOM 560 CB PHE A 31 8.104 -2.103 0.645 1.00 0.00 C ATOM 561 CG PHE A 31 9.564 -1.875 0.322 1.00 0.00 C ATOM 562 CD1 PHE A 31 10.360 -1.115 1.188 1.00 0.00 C ATOM 563 CD2 PHE A 31 10.120 -2.420 -0.842 1.00 0.00 C ATOM 564 CE1 PHE A 31 11.711 -0.901 0.890 1.00 0.00 C ATOM 565 CE2 PHE A 31 11.472 -2.207 -1.139 1.00 0.00 C ATOM 566 CZ PHE A 31 12.266 -1.447 -0.273 1.00 0.00 C ATOM 0 H PHE A 31 5.310 -1.482 0.197 1.00 0.00 H new ATOM 0 HA PHE A 31 7.768 0.001 1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.998 -2.449 1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.696 -2.884 0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 31 9.932 -0.694 2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.506 -3.005 -1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 31 12.325 -0.315 1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.901 -2.629 -2.036 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.308 -1.282 -0.502 1.00 0.00 H new ATOM 576 N PRO A 32 7.967 0.713 -1.437 1.00 0.00 N ATOM 577 CA PRO A 32 8.623 1.716 -0.525 1.00 0.00 C ATOM 578 C PRO A 32 7.571 2.582 0.203 1.00 0.00 C ATOM 579 O PRO A 32 6.559 2.924 -0.376 1.00 0.00 O ATOM 580 CB PRO A 32 9.446 2.580 -1.490 1.00 0.00 C ATOM 581 CG PRO A 32 8.683 2.543 -2.770 1.00 0.00 C ATOM 582 CD PRO A 32 8.060 1.147 -2.846 1.00 0.00 C ATOM 0 HA PRO A 32 9.218 1.246 0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.550 3.600 -1.119 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.453 2.183 -1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.914 3.315 -2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.339 2.725 -3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.079 1.174 -3.320 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.678 0.467 -3.432 1.00 0.00 H new ATOM 590 N PRO A 33 7.793 2.950 1.446 1.00 0.00 N ATOM 591 CA PRO A 33 6.820 3.798 2.199 1.00 0.00 C ATOM 592 C PRO A 33 6.244 4.930 1.321 1.00 0.00 C ATOM 593 O PRO A 33 6.933 5.458 0.471 1.00 0.00 O ATOM 594 CB PRO A 33 7.668 4.375 3.337 1.00 0.00 C ATOM 595 CG PRO A 33 8.706 3.330 3.610 1.00 0.00 C ATOM 596 CD PRO A 33 8.968 2.612 2.275 1.00 0.00 C ATOM 0 HA PRO A 33 5.953 3.233 2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.126 5.321 3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.062 4.571 4.222 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.621 3.783 3.992 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.358 2.627 4.367 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.894 2.955 1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.061 1.535 2.414 1.00 0.00 H new ATOM 604 N PRO A 34 4.997 5.313 1.517 1.00 0.00 N ATOM 605 CA PRO A 34 4.364 6.405 0.716 1.00 0.00 C ATOM 606 C PRO A 34 4.843 7.796 1.155 1.00 0.00 C ATOM 607 O PRO A 34 5.418 7.961 2.213 1.00 0.00 O ATOM 608 CB PRO A 34 2.866 6.233 0.998 1.00 0.00 C ATOM 609 CG PRO A 34 2.809 5.645 2.372 1.00 0.00 C ATOM 610 CD PRO A 34 4.055 4.758 2.510 1.00 0.00 C ATOM 0 HA PRO A 34 4.618 6.338 -0.342 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.341 7.187 0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.397 5.576 0.265 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.802 6.428 3.131 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.899 5.061 2.508 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.466 4.801 3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.826 3.713 2.303 1.00 0.00 H new ATOM 618 N VAL A 35 4.603 8.797 0.351 1.00 0.00 N ATOM 619 CA VAL A 35 5.035 10.176 0.719 1.00 0.00 C ATOM 620 C VAL A 35 3.978 10.809 1.627 1.00 0.00 C ATOM 621 O VAL A 35 2.859 11.042 1.219 1.00 0.00 O ATOM 622 CB VAL A 35 5.189 11.016 -0.556 1.00 0.00 C ATOM 623 CG1 VAL A 35 5.341 12.499 -0.194 1.00 0.00 C ATOM 624 CG2 VAL A 35 6.431 10.547 -1.319 1.00 0.00 C ATOM 0 H VAL A 35 4.125 8.719 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 35 5.989 10.137 1.244 1.00 0.00 H new ATOM 0 HB VAL A 35 4.303 10.892 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.450 13.087 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.458 12.833 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.224 12.632 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.546 11.140 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.313 10.671 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.320 9.496 -1.584 1.00 0.00 H new ATOM 634 N LYS A 36 4.324 11.095 2.851 1.00 0.00 N ATOM 635 CA LYS A 36 3.343 11.713 3.774 1.00 0.00 C ATOM 636 C LYS A 36 3.136 13.177 3.368 1.00 0.00 C ATOM 637 O LYS A 36 3.644 14.089 3.991 1.00 0.00 O ATOM 638 CB LYS A 36 3.882 11.621 5.217 1.00 0.00 C ATOM 639 CG LYS A 36 4.717 10.328 5.405 1.00 0.00 C ATOM 640 CD LYS A 36 6.220 10.623 5.211 1.00 0.00 C ATOM 641 CE LYS A 36 6.825 11.134 6.522 1.00 0.00 C ATOM 642 NZ LYS A 36 8.146 11.767 6.246 1.00 0.00 N ATOM 0 H LYS A 36 5.248 10.925 3.249 1.00 0.00 H new ATOM 0 HA LYS A 36 2.387 11.191 3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.497 12.493 5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.051 11.630 5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.546 9.919 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.393 9.572 4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.738 9.720 4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.355 11.365 4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.154 11.856 6.988 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.944 10.310 7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.557 12.114 7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.785 11.066 5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.019 12.563 5.589 1.00 0.00 H new ATOM 656 N ASP A 37 2.404 13.407 2.311 1.00 0.00 N ATOM 657 CA ASP A 37 2.176 14.806 1.850 1.00 0.00 C ATOM 658 C ASP A 37 1.358 15.572 2.899 1.00 0.00 C ATOM 659 O ASP A 37 0.237 15.978 2.660 1.00 0.00 O ATOM 660 CB ASP A 37 1.437 14.789 0.498 1.00 0.00 C ATOM 661 CG ASP A 37 1.813 13.525 -0.276 1.00 0.00 C ATOM 662 OD1 ASP A 37 1.340 12.465 0.098 1.00 0.00 O ATOM 663 OD2 ASP A 37 2.566 13.640 -1.229 1.00 0.00 O ATOM 0 H ASP A 37 1.954 12.686 1.747 1.00 0.00 H new ATOM 0 HA ASP A 37 3.135 15.309 1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.360 14.821 0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.698 15.674 -0.082 1.00 0.00 H new ATOM 668 N GLY A 38 1.919 15.780 4.056 1.00 0.00 N ATOM 669 CA GLY A 38 1.194 16.528 5.120 1.00 0.00 C ATOM 670 C GLY A 38 -0.011 15.720 5.606 1.00 0.00 C ATOM 671 O GLY A 38 -0.150 15.453 6.782 1.00 0.00 O ATOM 0 H GLY A 38 2.854 15.462 4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.866 16.731 5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.863 17.493 4.735 1.00 0.00 H new ATOM 675 N ARG A 39 -0.891 15.341 4.712 1.00 0.00 N ATOM 676 CA ARG A 39 -2.108 14.562 5.123 1.00 0.00 C ATOM 677 C ARG A 39 -2.363 13.414 4.141 1.00 0.00 C ATOM 678 O ARG A 39 -2.905 12.389 4.505 1.00 0.00 O ATOM 679 CB ARG A 39 -3.327 15.491 5.121 1.00 0.00 C ATOM 680 CG ARG A 39 -3.119 16.635 6.127 1.00 0.00 C ATOM 681 CD ARG A 39 -3.108 16.095 7.578 1.00 0.00 C ATOM 682 NE ARG A 39 -3.966 16.957 8.456 1.00 0.00 N ATOM 683 CZ ARG A 39 -3.880 18.262 8.425 1.00 0.00 C ATOM 684 NH1 ARG A 39 -2.978 18.849 7.688 1.00 0.00 N ATOM 685 NH2 ARG A 39 -4.686 18.981 9.158 1.00 0.00 N ATOM 0 H ARG A 39 -0.822 15.536 3.713 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.943 14.153 6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.482 15.898 4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.224 14.928 5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.179 17.144 5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.913 17.373 6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.473 15.068 7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.087 16.076 7.960 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.631 16.516 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.333 18.290 7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.918 19.867 7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.379 18.525 9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.623 19.999 9.137 1.00 0.00 H new ATOM 699 N GLU A 40 -1.994 13.574 2.897 1.00 0.00 N ATOM 700 CA GLU A 40 -2.240 12.486 1.901 1.00 0.00 C ATOM 701 C GLU A 40 -1.078 11.491 1.907 1.00 0.00 C ATOM 702 O GLU A 40 -0.119 11.629 2.641 1.00 0.00 O ATOM 703 CB GLU A 40 -2.393 13.099 0.493 1.00 0.00 C ATOM 704 CG GLU A 40 -3.866 13.395 0.210 1.00 0.00 C ATOM 705 CD GLU A 40 -4.429 14.302 1.307 1.00 0.00 C ATOM 706 OE1 GLU A 40 -3.774 15.278 1.634 1.00 0.00 O ATOM 707 OE2 GLU A 40 -5.504 14.004 1.799 1.00 0.00 O ATOM 0 H GLU A 40 -1.535 14.407 2.528 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.156 11.959 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.809 14.016 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.001 12.412 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.970 13.876 -0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.432 12.465 0.167 1.00 0.00 H new ATOM 714 N TYR A 41 -1.175 10.484 1.081 1.00 0.00 N ATOM 715 CA TYR A 41 -0.102 9.452 1.004 1.00 0.00 C ATOM 716 C TYR A 41 0.009 8.953 -0.438 1.00 0.00 C ATOM 717 O TYR A 41 -0.841 8.232 -0.920 1.00 0.00 O ATOM 718 CB TYR A 41 -0.466 8.284 1.924 1.00 0.00 C ATOM 719 CG TYR A 41 -0.256 8.696 3.363 1.00 0.00 C ATOM 720 CD1 TYR A 41 1.041 8.890 3.850 1.00 0.00 C ATOM 721 CD2 TYR A 41 -1.357 8.888 4.209 1.00 0.00 C ATOM 722 CE1 TYR A 41 1.240 9.275 5.181 1.00 0.00 C ATOM 723 CE2 TYR A 41 -1.158 9.272 5.540 1.00 0.00 C ATOM 724 CZ TYR A 41 0.141 9.466 6.026 1.00 0.00 C ATOM 725 OH TYR A 41 0.337 9.845 7.338 1.00 0.00 O ATOM 0 H TYR A 41 -1.961 10.331 0.449 1.00 0.00 H new ATOM 0 HA TYR A 41 0.851 9.879 1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.504 7.991 1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 41 0.150 7.416 1.689 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.890 8.743 3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.359 8.740 3.834 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.242 9.425 5.556 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.006 9.419 6.192 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.530 9.935 7.786 1.00 0.00 H new ATOM 735 N LEU A 42 1.049 9.333 -1.130 1.00 0.00 N ATOM 736 CA LEU A 42 1.209 8.879 -2.541 1.00 0.00 C ATOM 737 C LEU A 42 1.809 7.474 -2.557 1.00 0.00 C ATOM 738 O LEU A 42 2.878 7.239 -2.033 1.00 0.00 O ATOM 739 CB LEU A 42 2.138 9.836 -3.293 1.00 0.00 C ATOM 740 CG LEU A 42 1.757 11.283 -2.975 1.00 0.00 C ATOM 741 CD1 LEU A 42 2.587 12.231 -3.845 1.00 0.00 C ATOM 742 CD2 LEU A 42 0.266 11.498 -3.263 1.00 0.00 C ATOM 0 H LEU A 42 1.793 9.937 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 42 0.234 8.868 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.174 9.652 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.067 9.659 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 42 1.955 11.487 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.316 13.263 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.647 12.080 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.390 12.026 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.003 12.529 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.065 11.294 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.325 10.824 -2.643 1.00 0.00 H new ATOM 754 N PHE A 43 1.128 6.539 -3.160 1.00 0.00 N ATOM 755 CA PHE A 43 1.654 5.145 -3.221 1.00 0.00 C ATOM 756 C PHE A 43 2.477 4.991 -4.505 1.00 0.00 C ATOM 757 O PHE A 43 1.964 5.089 -5.601 1.00 0.00 O ATOM 758 CB PHE A 43 0.465 4.162 -3.210 1.00 0.00 C ATOM 759 CG PHE A 43 0.130 3.775 -1.782 1.00 0.00 C ATOM 760 CD1 PHE A 43 -0.558 4.671 -0.949 1.00 0.00 C ATOM 761 CD2 PHE A 43 0.528 2.525 -1.284 1.00 0.00 C ATOM 762 CE1 PHE A 43 -0.843 4.316 0.372 1.00 0.00 C ATOM 763 CE2 PHE A 43 0.234 2.174 0.036 1.00 0.00 C ATOM 764 CZ PHE A 43 -0.451 3.069 0.865 1.00 0.00 C ATOM 0 H PHE A 43 0.226 6.681 -3.615 1.00 0.00 H new ATOM 0 HA PHE A 43 2.291 4.931 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.402 4.621 -3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.712 3.272 -3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.867 5.634 -1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.061 1.835 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.368 5.008 1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.536 1.210 0.417 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.677 2.796 1.885 1.00 0.00 H new ATOM 774 N HIS A 44 3.760 4.767 -4.363 1.00 0.00 N ATOM 775 CA HIS A 44 4.653 4.618 -5.554 1.00 0.00 C ATOM 776 C HIS A 44 3.960 3.800 -6.647 1.00 0.00 C ATOM 777 O HIS A 44 3.107 2.978 -6.376 1.00 0.00 O ATOM 778 CB HIS A 44 5.939 3.903 -5.126 1.00 0.00 C ATOM 779 CG HIS A 44 6.973 4.030 -6.211 1.00 0.00 C ATOM 780 ND1 HIS A 44 6.885 4.987 -7.207 1.00 0.00 N ATOM 781 CD2 HIS A 44 8.122 3.324 -6.468 1.00 0.00 C ATOM 782 CE1 HIS A 44 7.953 4.835 -8.011 1.00 0.00 C ATOM 783 NE2 HIS A 44 8.740 3.835 -7.606 1.00 0.00 N ATOM 0 H HIS A 44 4.232 4.680 -3.463 1.00 0.00 H new ATOM 0 HA HIS A 44 4.884 5.607 -5.951 1.00 0.00 H new ATOM 0 HB2 HIS A 44 6.316 4.335 -4.199 1.00 0.00 H new ATOM 0 HB3 HIS A 44 5.733 2.851 -4.927 1.00 0.00 H new ATOM 0 HD2 HIS A 44 8.490 2.498 -5.877 1.00 0.00 H new ATOM 0 HE1 HIS A 44 8.150 5.447 -8.879 1.00 0.00 H new ATOM 0 HE2 HIS A 44 9.607 3.515 -8.037 1.00 0.00 H new ATOM 791 N GLU A 45 4.323 4.019 -7.884 1.00 0.00 N ATOM 792 CA GLU A 45 3.688 3.254 -8.994 1.00 0.00 C ATOM 793 C GLU A 45 4.189 1.810 -8.964 1.00 0.00 C ATOM 794 O GLU A 45 4.037 1.069 -9.914 1.00 0.00 O ATOM 795 CB GLU A 45 4.056 3.892 -10.337 1.00 0.00 C ATOM 796 CG GLU A 45 5.564 3.776 -10.565 1.00 0.00 C ATOM 797 CD GLU A 45 5.973 4.667 -11.739 1.00 0.00 C ATOM 798 OE1 GLU A 45 5.250 4.685 -12.722 1.00 0.00 O ATOM 799 OE2 GLU A 45 7.001 5.316 -11.636 1.00 0.00 O ATOM 0 H GLU A 45 5.031 4.694 -8.172 1.00 0.00 H new ATOM 0 HA GLU A 45 2.605 3.270 -8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.517 3.398 -11.145 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.756 4.940 -10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.102 4.073 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.833 2.740 -10.770 1.00 0.00 H new ATOM 806 N SER A 46 4.791 1.406 -7.877 1.00 0.00 N ATOM 807 CA SER A 46 5.308 0.009 -7.780 1.00 0.00 C ATOM 808 C SER A 46 5.300 -0.438 -6.316 1.00 0.00 C ATOM 809 O SER A 46 6.054 -1.305 -5.922 1.00 0.00 O ATOM 810 CB SER A 46 6.739 -0.040 -8.316 1.00 0.00 C ATOM 811 OG SER A 46 6.721 0.160 -9.723 1.00 0.00 O ATOM 0 H SER A 46 4.947 1.984 -7.051 1.00 0.00 H new ATOM 0 HA SER A 46 4.674 -0.655 -8.367 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.346 0.728 -7.836 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.195 -1.001 -8.080 1.00 0.00 H new ATOM 0 HG SER A 46 5.804 0.347 -10.015 1.00 0.00 H new ATOM 817 N ALA A 47 4.452 0.139 -5.507 1.00 0.00 N ATOM 818 CA ALA A 47 4.408 -0.268 -4.079 1.00 0.00 C ATOM 819 C ALA A 47 3.700 -1.617 -3.969 1.00 0.00 C ATOM 820 O ALA A 47 2.828 -1.939 -4.752 1.00 0.00 O ATOM 821 CB ALA A 47 3.657 0.793 -3.259 1.00 0.00 C ATOM 0 H ALA A 47 3.793 0.870 -5.774 1.00 0.00 H new ATOM 0 HA ALA A 47 5.422 -0.357 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.627 0.490 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.171 1.750 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.639 0.892 -3.637 1.00 0.00 H new ATOM 827 N VAL A 48 4.073 -2.405 -3.003 1.00 0.00 N ATOM 828 CA VAL A 48 3.437 -3.740 -2.828 1.00 0.00 C ATOM 829 C VAL A 48 3.479 -4.108 -1.346 1.00 0.00 C ATOM 830 O VAL A 48 4.396 -3.744 -0.635 1.00 0.00 O ATOM 831 CB VAL A 48 4.215 -4.789 -3.625 1.00 0.00 C ATOM 832 CG1 VAL A 48 4.227 -4.407 -5.107 1.00 0.00 C ATOM 833 CG2 VAL A 48 5.654 -4.863 -3.103 1.00 0.00 C ATOM 0 H VAL A 48 4.797 -2.181 -2.321 1.00 0.00 H new ATOM 0 HA VAL A 48 2.407 -3.708 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 48 3.735 -5.761 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.782 -5.156 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.203 -4.358 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.704 -3.435 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.209 -5.610 -3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.133 -3.891 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.645 -5.141 -2.049 1.00 0.00 H new ATOM 843 N LYS A 49 2.499 -4.827 -0.871 1.00 0.00 N ATOM 844 CA LYS A 49 2.499 -5.217 0.565 1.00 0.00 C ATOM 845 C LYS A 49 3.363 -6.466 0.743 1.00 0.00 C ATOM 846 O LYS A 49 3.445 -7.306 -0.131 1.00 0.00 O ATOM 847 CB LYS A 49 1.068 -5.513 1.029 1.00 0.00 C ATOM 848 CG LYS A 49 0.385 -6.506 0.064 1.00 0.00 C ATOM 849 CD LYS A 49 -0.626 -7.359 0.834 1.00 0.00 C ATOM 850 CE LYS A 49 -1.362 -8.287 -0.136 1.00 0.00 C ATOM 851 NZ LYS A 49 -0.380 -8.913 -1.067 1.00 0.00 N ATOM 0 H LYS A 49 1.702 -5.160 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 49 2.902 -4.399 1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.084 -5.928 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.495 -4.587 1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.117 -5.963 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.133 -7.145 -0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.115 -7.946 1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.340 -6.717 1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.897 -9.059 0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.106 -7.725 -0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.776 -9.796 -1.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.179 -8.259 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.501 -9.121 -0.554 1.00 0.00 H new ATOM 865 N VAL A 50 4.008 -6.596 1.869 1.00 0.00 N ATOM 866 CA VAL A 50 4.869 -7.794 2.112 1.00 0.00 C ATOM 867 C VAL A 50 4.069 -8.838 2.892 1.00 0.00 C ATOM 868 O VAL A 50 3.059 -8.536 3.496 1.00 0.00 O ATOM 869 CB VAL A 50 6.106 -7.381 2.917 1.00 0.00 C ATOM 870 CG1 VAL A 50 7.182 -8.463 2.796 1.00 0.00 C ATOM 871 CG2 VAL A 50 6.652 -6.054 2.371 1.00 0.00 C ATOM 0 H VAL A 50 3.978 -5.924 2.635 1.00 0.00 H new ATOM 0 HA VAL A 50 5.188 -8.217 1.159 1.00 0.00 H new ATOM 0 HB VAL A 50 5.832 -7.259 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.061 -8.168 3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.796 -9.405 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.457 -8.587 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.532 -5.760 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.925 -6.177 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.887 -5.282 2.459 1.00 0.00 H new ATOM 881 N ASP A 51 4.518 -10.065 2.884 1.00 0.00 N ATOM 882 CA ASP A 51 3.798 -11.150 3.621 1.00 0.00 C ATOM 883 C ASP A 51 4.567 -11.486 4.901 1.00 0.00 C ATOM 884 O ASP A 51 4.476 -10.790 5.892 1.00 0.00 O ATOM 885 CB ASP A 51 3.715 -12.395 2.736 1.00 0.00 C ATOM 886 CG ASP A 51 2.751 -12.135 1.577 1.00 0.00 C ATOM 887 OD1 ASP A 51 1.701 -11.564 1.822 1.00 0.00 O ATOM 888 OD2 ASP A 51 3.079 -12.511 0.464 1.00 0.00 O ATOM 0 H ASP A 51 5.360 -10.367 2.394 1.00 0.00 H new ATOM 0 HA ASP A 51 2.792 -10.816 3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.703 -12.647 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.374 -13.248 3.322 1.00 0.00 H new ATOM 893 N LEU A 52 5.327 -12.547 4.885 1.00 0.00 N ATOM 894 CA LEU A 52 6.104 -12.927 6.098 1.00 0.00 C ATOM 895 C LEU A 52 5.187 -12.900 7.322 1.00 0.00 C ATOM 896 O LEU A 52 5.535 -12.370 8.358 1.00 0.00 O ATOM 897 CB LEU A 52 7.252 -11.934 6.300 1.00 0.00 C ATOM 898 CG LEU A 52 8.021 -11.748 4.989 1.00 0.00 C ATOM 899 CD1 LEU A 52 9.098 -10.677 5.182 1.00 0.00 C ATOM 900 CD2 LEU A 52 8.685 -13.071 4.584 1.00 0.00 C ATOM 0 H LEU A 52 5.443 -13.167 4.084 1.00 0.00 H new ATOM 0 HA LEU A 52 6.509 -13.931 5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.859 -10.976 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.925 -12.296 7.077 1.00 0.00 H new ATOM 0 HG LEU A 52 7.330 -11.438 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.648 -10.542 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.628 -9.735 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.786 -10.990 5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.231 -12.933 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.376 -13.385 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.920 -13.835 4.448 1.00 0.00 H new ATOM 912 N ASN A 53 4.018 -13.467 7.209 1.00 0.00 N ATOM 913 CA ASN A 53 3.080 -13.474 8.368 1.00 0.00 C ATOM 914 C ASN A 53 3.492 -14.569 9.353 1.00 0.00 C ATOM 915 O ASN A 53 2.991 -14.646 10.457 1.00 0.00 O ATOM 916 CB ASN A 53 1.655 -13.737 7.872 1.00 0.00 C ATOM 917 CG ASN A 53 1.665 -14.886 6.860 1.00 0.00 C ATOM 918 OD1 ASN A 53 0.650 -15.199 6.271 1.00 0.00 O ATOM 919 ND2 ASN A 53 2.774 -15.533 6.633 1.00 0.00 N ATOM 0 H ASN A 53 3.671 -13.925 6.366 1.00 0.00 H new ATOM 0 HA ASN A 53 3.115 -12.507 8.869 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.007 -13.985 8.713 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.248 -12.837 7.411 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.788 -16.301 5.962 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.627 -15.271 7.127 1.00 0.00 H new ATOM 926 N ARG A 54 4.407 -15.418 8.965 1.00 0.00 N ATOM 927 CA ARG A 54 4.851 -16.505 9.883 1.00 0.00 C ATOM 928 C ARG A 54 3.632 -17.297 10.366 1.00 0.00 C ATOM 929 O ARG A 54 3.171 -17.123 11.476 1.00 0.00 O ATOM 930 CB ARG A 54 5.567 -15.889 11.088 1.00 0.00 C ATOM 931 CG ARG A 54 6.332 -16.982 11.846 1.00 0.00 C ATOM 932 CD ARG A 54 7.156 -16.365 13.001 1.00 0.00 C ATOM 933 NE ARG A 54 8.536 -16.950 13.016 1.00 0.00 N ATOM 934 CZ ARG A 54 8.728 -18.242 12.924 1.00 0.00 C ATOM 935 NH1 ARG A 54 7.714 -19.063 12.923 1.00 0.00 N ATOM 936 NH2 ARG A 54 9.943 -18.714 12.863 1.00 0.00 N ATOM 0 H ARG A 54 4.865 -15.405 8.054 1.00 0.00 H new ATOM 0 HA ARG A 54 5.531 -17.173 9.354 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.256 -15.112 10.756 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.843 -15.412 11.749 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.631 -17.716 12.243 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.994 -17.512 11.161 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.212 -15.283 12.881 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.661 -16.555 13.954 1.00 0.00 H new ATOM 0 HE ARG A 54 9.341 -16.330 13.100 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.764 -18.700 12.994 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.872 -20.068 12.851 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.739 -18.077 12.887 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.096 -19.720 12.791 1.00 0.00 H new ATOM 950 N PRO A 55 3.113 -18.162 9.534 1.00 0.00 N ATOM 951 CA PRO A 55 1.924 -18.998 9.876 1.00 0.00 C ATOM 952 C PRO A 55 2.087 -19.716 11.223 1.00 0.00 C ATOM 953 O PRO A 55 3.180 -19.675 11.763 1.00 0.00 O ATOM 954 CB PRO A 55 1.845 -20.006 8.719 1.00 0.00 C ATOM 955 CG PRO A 55 2.502 -19.317 7.566 1.00 0.00 C ATOM 956 CD PRO A 55 3.602 -18.441 8.172 1.00 0.00 C ATOM 957 OXT PRO A 55 1.118 -20.292 11.687 1.00 0.00 O ATOM 0 HA PRO A 55 1.020 -18.399 9.987 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.357 -20.935 8.968 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.811 -20.264 8.489 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.920 -20.040 6.866 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.784 -18.714 7.011 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.562 -18.957 8.189 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.744 -17.523 7.601 1.00 0.00 H new TER 965 PRO A 55