USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 443 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 47 ASN : amide:sc= 1.18 K(o=1.6,f=-2!) USER MOD Set 1.2: A 49 THR OG1 : rot 101:sc= 0.433 USER MOD Set 2.1: A 1 LEU N :NH3+ -131:sc= -0.275 (180deg=-2.47!) USER MOD Set 2.2: A 5 GLN : amide:sc= 2.25 K(o=2,f=-6.4) USER MOD Single : A 2 THR OG1 : rot 166:sc= 1.26 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 100:sc= 1.18 USER MOD Single : A 10 HIS : no HE2:sc= 0.2 K(o=0.2,f=-2.7!) USER MOD Single : A 15 HIS : no HE2:sc= 0.826 K(o=0.83,f=-2.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0259 USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0.835 (180deg=0.802) USER MOD Single : A 26 ASN : amide:sc= 0.0978 K(o=0.098,f=-1.5) USER MOD Single : A 28 ASN : amide:sc= 0.855 K(o=0.85,f=-1.8) USER MOD Single : A 29 TYR OH : rot 180:sc= 1.22 USER MOD Single : A 33 GLN : amide:sc= 2.65 K(o=2.6,f=-6.6!) USER MOD Single : A 35 TYR OH : rot 32:sc= 1.26 USER MOD Single : A 37 SER OG : rot 142:sc= 1.69 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.00097) USER MOD Single : A 54 THR OG1 : rot -88:sc= 1.72 USER MOD Single : A 56 SER OG : rot 81:sc= 1.26 USER MOD Single : A 59 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.19) USER MOD Single : A 60 HIS : no HE2:sc= -2.22 K(o=-2.2,f=-4.4!) USER MOD Single : A 61 ASN : amide:sc=-0.00295 X(o=-0.003,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 13.129 8.769 -0.261 1.00 0.00 N ATOM 2 CA LEU A 1 13.096 10.068 0.408 1.00 0.00 C ATOM 3 C LEU A 1 12.587 10.026 1.854 1.00 0.00 C ATOM 4 O LEU A 1 12.895 10.861 2.701 1.00 0.00 O ATOM 5 CB LEU A 1 12.250 10.991 -0.489 1.00 0.00 C ATOM 6 CG LEU A 1 11.953 12.377 0.094 1.00 0.00 C ATOM 7 CD1 LEU A 1 13.219 13.217 0.295 1.00 0.00 C ATOM 8 CD2 LEU A 1 11.007 13.140 -0.836 1.00 0.00 C ATOM 0 H1 LEU A 1 14.056 8.634 -0.712 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.970 8.015 0.437 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.384 8.732 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 1 14.113 10.443 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.766 11.118 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.304 10.495 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 1 11.496 12.215 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 1 12.949 14.188 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 1 13.891 12.703 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 1 13.718 13.358 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.800 14.124 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 1 11.473 13.254 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.074 12.586 -0.940 1.00 0.00 H new ATOM 20 N THR A 2 11.786 9.011 2.077 1.00 0.00 N ATOM 21 CA THR A 2 10.981 8.674 3.246 1.00 0.00 C ATOM 22 C THR A 2 10.941 7.171 3.514 1.00 0.00 C ATOM 23 O THR A 2 11.322 6.367 2.663 1.00 0.00 O ATOM 24 CB THR A 2 9.523 9.138 3.067 1.00 0.00 C ATOM 25 OG1 THR A 2 8.938 8.370 2.034 1.00 0.00 O ATOM 26 CG2 THR A 2 9.373 10.630 2.771 1.00 0.00 C ATOM 0 H THR A 2 11.662 8.305 1.351 1.00 0.00 H new ATOM 0 HA THR A 2 11.456 9.184 4.084 1.00 0.00 H new ATOM 0 HB THR A 2 9.012 8.983 4.017 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.964 8.479 2.057 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.317 10.874 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.794 11.208 3.594 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.901 10.873 1.849 1.00 0.00 H new ATOM 34 N LYS A 3 10.360 6.774 4.660 1.00 0.00 N ATOM 35 CA LYS A 3 10.032 5.379 4.981 1.00 0.00 C ATOM 36 C LYS A 3 9.274 4.689 3.838 1.00 0.00 C ATOM 37 O LYS A 3 9.581 3.543 3.522 1.00 0.00 O ATOM 38 CB LYS A 3 9.233 5.327 6.293 1.00 0.00 C ATOM 39 CG LYS A 3 9.000 3.879 6.753 1.00 0.00 C ATOM 40 CD LYS A 3 8.126 3.822 8.010 1.00 0.00 C ATOM 41 CE LYS A 3 7.847 2.362 8.373 1.00 0.00 C ATOM 42 NZ LYS A 3 6.970 2.264 9.554 1.00 0.00 N ATOM 0 H LYS A 3 10.102 7.427 5.400 1.00 0.00 H new ATOM 0 HA LYS A 3 10.964 4.829 5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.769 5.875 7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.273 5.825 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.524 3.314 5.952 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.959 3.401 6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.628 4.324 8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.188 4.350 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.380 1.857 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.787 1.848 8.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.798 1.263 9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.428 2.726 10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.064 2.734 9.354 1.00 0.00 H new ATOM 56 N CYS A 4 8.344 5.388 3.177 1.00 0.00 N ATOM 57 CA CYS A 4 7.635 4.866 2.012 1.00 0.00 C ATOM 58 C CYS A 4 8.617 4.493 0.894 1.00 0.00 C ATOM 59 O CYS A 4 8.719 3.323 0.522 1.00 0.00 O ATOM 60 CB CYS A 4 6.584 5.879 1.534 1.00 0.00 C ATOM 61 SG CYS A 4 5.370 5.154 0.407 1.00 0.00 S ATOM 0 H CYS A 4 8.064 6.333 3.439 1.00 0.00 H new ATOM 0 HA CYS A 4 7.114 3.952 2.298 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.067 6.294 2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.086 6.708 1.035 1.00 0.00 H new ATOM 66 N GLN A 5 9.350 5.482 0.362 1.00 0.00 N ATOM 67 CA GLN A 5 10.285 5.256 -0.742 1.00 0.00 C ATOM 68 C GLN A 5 11.422 4.292 -0.367 1.00 0.00 C ATOM 69 O GLN A 5 11.866 3.534 -1.228 1.00 0.00 O ATOM 70 CB GLN A 5 10.815 6.594 -1.274 1.00 0.00 C ATOM 71 CG GLN A 5 9.895 7.167 -2.369 1.00 0.00 C ATOM 72 CD GLN A 5 10.391 8.505 -2.918 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.530 8.901 -2.720 1.00 0.00 O ATOM 74 NE2 GLN A 5 9.547 9.251 -3.608 1.00 0.00 N ATOM 0 H GLN A 5 9.310 6.449 0.683 1.00 0.00 H new ATOM 0 HA GLN A 5 9.735 4.764 -1.544 1.00 0.00 H new ATOM 0 HB2 GLN A 5 10.895 7.307 -0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.819 6.456 -1.676 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.820 6.450 -3.186 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.891 7.295 -1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.596 8.923 -3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.847 10.155 -3.974 1.00 0.00 H new ATOM 83 N GLU A 6 11.842 4.252 0.902 1.00 0.00 N ATOM 84 CA GLU A 6 12.755 3.248 1.457 1.00 0.00 C ATOM 85 C GLU A 6 12.148 1.850 1.357 1.00 0.00 C ATOM 86 O GLU A 6 12.728 0.993 0.704 1.00 0.00 O ATOM 87 CB GLU A 6 13.057 3.569 2.924 1.00 0.00 C ATOM 88 CG GLU A 6 13.985 4.780 3.113 1.00 0.00 C ATOM 89 CD GLU A 6 13.849 5.401 4.507 1.00 0.00 C ATOM 90 OE1 GLU A 6 13.691 4.626 5.478 1.00 0.00 O ATOM 91 OE2 GLU A 6 13.889 6.648 4.589 1.00 0.00 O ATOM 0 H GLU A 6 11.546 4.941 1.594 1.00 0.00 H new ATOM 0 HA GLU A 6 13.679 3.272 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.119 3.756 3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.513 2.696 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.018 4.472 2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.756 5.532 2.358 1.00 0.00 H new ATOM 98 N GLU A 7 10.973 1.616 1.955 1.00 0.00 N ATOM 99 CA GLU A 7 10.283 0.320 1.914 1.00 0.00 C ATOM 100 C GLU A 7 10.107 -0.168 0.469 1.00 0.00 C ATOM 101 O GLU A 7 10.458 -1.302 0.145 1.00 0.00 O ATOM 102 CB GLU A 7 8.908 0.425 2.599 1.00 0.00 C ATOM 103 CG GLU A 7 8.973 0.477 4.132 1.00 0.00 C ATOM 104 CD GLU A 7 7.601 0.766 4.757 1.00 0.00 C ATOM 105 OE1 GLU A 7 6.939 1.747 4.334 1.00 0.00 O ATOM 106 OE2 GLU A 7 7.222 0.001 5.668 1.00 0.00 O ATOM 0 H GLU A 7 10.470 2.327 2.486 1.00 0.00 H new ATOM 0 HA GLU A 7 10.898 -0.403 2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.401 1.320 2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.299 -0.429 2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.351 -0.472 4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.681 1.247 4.439 1.00 0.00 H new ATOM 113 N VAL A 8 9.621 0.713 -0.411 1.00 0.00 N ATOM 114 CA VAL A 8 9.438 0.441 -1.845 1.00 0.00 C ATOM 115 C VAL A 8 10.765 0.174 -2.570 1.00 0.00 C ATOM 116 O VAL A 8 10.788 -0.550 -3.564 1.00 0.00 O ATOM 117 CB VAL A 8 8.683 1.618 -2.490 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.553 1.565 -4.017 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.244 1.639 -1.957 1.00 0.00 C ATOM 0 H VAL A 8 9.337 1.655 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 8 8.851 -0.472 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 8 9.277 2.495 -2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.005 2.440 -4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.546 1.555 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.015 0.662 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.701 2.469 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.749 0.702 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.259 1.761 -0.874 1.00 0.00 H new ATOM 129 N SER A 9 11.870 0.712 -2.056 1.00 0.00 N ATOM 130 CA SER A 9 13.243 0.428 -2.501 1.00 0.00 C ATOM 131 C SER A 9 13.918 -0.755 -1.785 1.00 0.00 C ATOM 132 O SER A 9 15.103 -0.999 -2.024 1.00 0.00 O ATOM 133 CB SER A 9 14.135 1.668 -2.339 1.00 0.00 C ATOM 134 OG SER A 9 13.555 2.804 -2.942 1.00 0.00 O ATOM 0 H SER A 9 11.838 1.384 -1.289 1.00 0.00 H new ATOM 0 HA SER A 9 13.140 0.150 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.301 1.862 -1.279 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.111 1.476 -2.785 1.00 0.00 H new ATOM 0 HG SER A 9 13.119 3.352 -2.256 1.00 0.00 H new ATOM 140 N HIS A 10 13.230 -1.472 -0.886 1.00 0.00 N ATOM 141 CA HIS A 10 13.830 -2.533 -0.060 1.00 0.00 C ATOM 142 C HIS A 10 13.035 -3.847 -0.061 1.00 0.00 C ATOM 143 O HIS A 10 13.633 -4.911 0.080 1.00 0.00 O ATOM 144 CB HIS A 10 14.014 -2.031 1.383 1.00 0.00 C ATOM 145 CG HIS A 10 14.936 -0.845 1.552 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.837 -0.354 0.631 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.963 -0.009 2.636 1.00 0.00 C ATOM 148 CE1 HIS A 10 16.392 0.753 1.154 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.893 1.002 2.375 1.00 0.00 N ATOM 0 H HIS A 10 12.235 -1.333 -0.709 1.00 0.00 H new ATOM 0 HA HIS A 10 14.796 -2.762 -0.511 1.00 0.00 H new ATOM 0 HB2 HIS A 10 13.035 -1.767 1.784 1.00 0.00 H new ATOM 0 HB3 HIS A 10 14.395 -2.853 1.988 1.00 0.00 H new ATOM 0 HD1 HIS A 10 16.045 -0.758 -0.282 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.371 -0.112 3.533 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.137 1.359 0.660 1.00 0.00 H new ATOM 157 N ILE A 11 11.709 -3.796 -0.223 1.00 0.00 N ATOM 158 CA ILE A 11 10.845 -4.983 -0.235 1.00 0.00 C ATOM 159 C ILE A 11 10.924 -5.650 -1.621 1.00 0.00 C ATOM 160 O ILE A 11 10.530 -5.026 -2.610 1.00 0.00 O ATOM 161 CB ILE A 11 9.396 -4.602 0.162 1.00 0.00 C ATOM 162 CG1 ILE A 11 9.372 -4.154 1.645 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.446 -5.804 -0.023 1.00 0.00 C ATOM 164 CD1 ILE A 11 8.094 -3.412 2.043 1.00 0.00 C ATOM 0 H ILE A 11 11.199 -2.922 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 11 11.188 -5.706 0.505 1.00 0.00 H new ATOM 0 HB ILE A 11 9.060 -3.788 -0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.486 -5.031 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.230 -3.509 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.434 -5.515 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.454 -6.117 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.778 -6.630 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.150 -3.130 3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.988 -2.516 1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.233 -4.061 1.887 1.00 0.00 H new ATOM 176 N PRO A 12 11.417 -6.897 -1.751 1.00 0.00 N ATOM 177 CA PRO A 12 11.441 -7.587 -3.039 1.00 0.00 C ATOM 178 C PRO A 12 10.022 -7.971 -3.489 1.00 0.00 C ATOM 179 O PRO A 12 9.102 -8.064 -2.678 1.00 0.00 O ATOM 180 CB PRO A 12 12.318 -8.822 -2.804 1.00 0.00 C ATOM 181 CG PRO A 12 12.070 -9.148 -1.333 1.00 0.00 C ATOM 182 CD PRO A 12 11.913 -7.768 -0.695 1.00 0.00 C ATOM 0 HA PRO A 12 11.836 -6.959 -3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.032 -9.649 -3.454 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.370 -8.612 -2.999 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.176 -9.758 -1.200 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.901 -9.702 -0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.217 -7.802 0.143 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.865 -7.407 -0.305 1.00 0.00 H new ATOM 190 N ALA A 13 9.855 -8.283 -4.781 1.00 0.00 N ATOM 191 CA ALA A 13 8.606 -8.851 -5.302 1.00 0.00 C ATOM 192 C ALA A 13 8.262 -10.204 -4.647 1.00 0.00 C ATOM 193 O ALA A 13 7.091 -10.555 -4.505 1.00 0.00 O ATOM 194 CB ALA A 13 8.728 -8.985 -6.825 1.00 0.00 C ATOM 0 H ALA A 13 10.577 -8.150 -5.489 1.00 0.00 H new ATOM 0 HA ALA A 13 7.784 -8.180 -5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.807 -9.406 -7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.900 -8.002 -7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.564 -9.642 -7.067 1.00 0.00 H new ATOM 200 N VAL A 14 9.279 -10.941 -4.182 1.00 0.00 N ATOM 201 CA VAL A 14 9.144 -12.147 -3.362 1.00 0.00 C ATOM 202 C VAL A 14 8.806 -11.740 -1.918 1.00 0.00 C ATOM 203 O VAL A 14 9.615 -11.880 -1.004 1.00 0.00 O ATOM 204 CB VAL A 14 10.398 -13.049 -3.461 1.00 0.00 C ATOM 205 CG1 VAL A 14 10.149 -14.417 -2.803 1.00 0.00 C ATOM 206 CG2 VAL A 14 10.790 -13.321 -4.923 1.00 0.00 C ATOM 0 H VAL A 14 10.252 -10.704 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 14 8.323 -12.755 -3.741 1.00 0.00 H new ATOM 0 HB VAL A 14 11.196 -12.511 -2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.046 -15.030 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.904 -14.275 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.320 -14.916 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.674 -13.957 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.967 -13.821 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.007 -12.377 -5.423 1.00 0.00 H new ATOM 216 N HIS A 15 7.573 -11.264 -1.722 1.00 0.00 N ATOM 217 CA HIS A 15 6.973 -10.994 -0.409 1.00 0.00 C ATOM 218 C HIS A 15 5.752 -11.892 -0.051 1.00 0.00 C ATOM 219 O HIS A 15 4.880 -11.422 0.688 1.00 0.00 O ATOM 220 CB HIS A 15 6.682 -9.482 -0.301 1.00 0.00 C ATOM 221 CG HIS A 15 5.563 -8.978 -1.182 1.00 0.00 C ATOM 222 ND1 HIS A 15 4.228 -8.936 -0.846 1.00 0.00 N ATOM 223 CD2 HIS A 15 5.687 -8.447 -2.437 1.00 0.00 C ATOM 224 CE1 HIS A 15 3.564 -8.402 -1.885 1.00 0.00 C ATOM 225 NE2 HIS A 15 4.409 -8.089 -2.876 1.00 0.00 N ATOM 0 H HIS A 15 6.944 -11.049 -2.496 1.00 0.00 H new ATOM 0 HA HIS A 15 7.698 -11.276 0.355 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.440 -9.248 0.736 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.592 -8.935 -0.548 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.818 -9.253 0.032 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.607 -8.326 -2.989 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.496 -8.247 -1.917 1.00 0.00 H new ATOM 233 N PRO A 16 5.636 -13.161 -0.521 1.00 0.00 N ATOM 234 CA PRO A 16 4.420 -13.968 -0.380 1.00 0.00 C ATOM 235 C PRO A 16 4.079 -14.250 1.090 1.00 0.00 C ATOM 236 O PRO A 16 4.811 -14.935 1.799 1.00 0.00 O ATOM 237 CB PRO A 16 4.666 -15.254 -1.174 1.00 0.00 C ATOM 238 CG PRO A 16 6.180 -15.425 -1.095 1.00 0.00 C ATOM 239 CD PRO A 16 6.671 -13.981 -1.144 1.00 0.00 C ATOM 0 HA PRO A 16 3.553 -13.434 -0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.141 -16.104 -0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.324 -15.163 -2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.486 -15.928 -0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.567 -16.015 -1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.618 -13.877 -0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.845 -13.667 -2.173 1.00 0.00 H new ATOM 247 N GLY A 17 2.958 -13.683 1.538 1.00 0.00 N ATOM 248 CA GLY A 17 2.470 -13.709 2.919 1.00 0.00 C ATOM 249 C GLY A 17 2.533 -12.336 3.596 1.00 0.00 C ATOM 250 O GLY A 17 1.833 -12.110 4.585 1.00 0.00 O ATOM 0 H GLY A 17 2.334 -13.167 0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.441 -14.067 2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.061 -14.421 3.495 1.00 0.00 H new ATOM 254 N SER A 18 3.297 -11.393 3.029 1.00 0.00 N ATOM 255 CA SER A 18 3.461 -10.022 3.514 1.00 0.00 C ATOM 256 C SER A 18 2.922 -8.979 2.520 1.00 0.00 C ATOM 257 O SER A 18 2.515 -9.301 1.395 1.00 0.00 O ATOM 258 CB SER A 18 4.937 -9.779 3.850 1.00 0.00 C ATOM 259 OG SER A 18 5.067 -8.591 4.607 1.00 0.00 O ATOM 0 H SER A 18 3.839 -11.575 2.184 1.00 0.00 H new ATOM 0 HA SER A 18 2.864 -9.902 4.418 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.336 -10.624 4.411 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.520 -9.702 2.932 1.00 0.00 H new ATOM 0 HG SER A 18 6.012 -8.441 4.821 1.00 0.00 H new ATOM 265 N PHE A 19 2.893 -7.731 2.984 1.00 0.00 N ATOM 266 CA PHE A 19 2.436 -6.514 2.315 1.00 0.00 C ATOM 267 C PHE A 19 3.570 -5.845 1.519 1.00 0.00 C ATOM 268 O PHE A 19 4.749 -6.062 1.806 1.00 0.00 O ATOM 269 CB PHE A 19 1.907 -5.586 3.428 1.00 0.00 C ATOM 270 CG PHE A 19 1.720 -4.124 3.064 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.649 -3.730 2.243 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.624 -3.153 3.537 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.480 -2.381 1.897 1.00 0.00 C ATOM 274 CE2 PHE A 19 2.448 -1.800 3.202 1.00 0.00 C ATOM 275 CZ PHE A 19 1.375 -1.411 2.381 1.00 0.00 C ATOM 0 H PHE A 19 3.220 -7.527 3.928 1.00 0.00 H new ATOM 0 HA PHE A 19 1.657 -6.739 1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.949 -5.977 3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.594 -5.641 4.273 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.047 -4.470 1.877 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.455 -3.450 4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.339 -2.087 1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.138 -1.058 3.576 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.239 -0.371 2.123 1.00 0.00 H new ATOM 285 N ARG A 20 3.209 -4.981 0.555 1.00 0.00 N ATOM 286 CA ARG A 20 4.142 -4.099 -0.147 1.00 0.00 C ATOM 287 C ARG A 20 3.497 -2.724 -0.409 1.00 0.00 C ATOM 288 O ARG A 20 2.426 -2.677 -1.016 1.00 0.00 O ATOM 289 CB ARG A 20 4.615 -4.771 -1.444 1.00 0.00 C ATOM 290 CG ARG A 20 5.813 -4.006 -2.017 1.00 0.00 C ATOM 291 CD ARG A 20 6.405 -4.717 -3.237 1.00 0.00 C ATOM 292 NE ARG A 20 7.788 -4.286 -3.473 1.00 0.00 N ATOM 293 CZ ARG A 20 8.215 -3.097 -3.868 1.00 0.00 C ATOM 294 NH1 ARG A 20 7.408 -2.115 -4.190 1.00 0.00 N ATOM 295 NH2 ARG A 20 9.504 -2.893 -3.905 1.00 0.00 N ATOM 0 H ARG A 20 2.244 -4.878 0.241 1.00 0.00 H new ATOM 0 HA ARG A 20 5.017 -3.926 0.479 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.893 -5.806 -1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.803 -4.791 -2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.502 -2.999 -2.297 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.579 -3.901 -1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.377 -5.796 -3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.798 -4.504 -4.117 1.00 0.00 H new ATOM 0 HE ARG A 20 8.509 -4.989 -3.313 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.398 -2.248 -4.142 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.790 -1.218 -4.488 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.146 -3.638 -3.635 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.869 -1.989 -4.204 1.00 0.00 H new ATOM 309 N PRO A 21 4.101 -1.611 0.053 1.00 0.00 N ATOM 310 CA PRO A 21 3.567 -0.271 -0.162 1.00 0.00 C ATOM 311 C PRO A 21 3.812 0.267 -1.582 1.00 0.00 C ATOM 312 O PRO A 21 4.507 -0.345 -2.395 1.00 0.00 O ATOM 313 CB PRO A 21 4.239 0.602 0.905 1.00 0.00 C ATOM 314 CG PRO A 21 5.588 -0.076 1.126 1.00 0.00 C ATOM 315 CD PRO A 21 5.305 -1.553 0.867 1.00 0.00 C ATOM 0 HA PRO A 21 2.481 -0.271 -0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.358 1.631 0.565 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.652 0.636 1.823 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.346 0.311 0.445 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.956 0.088 2.139 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.143 -2.023 0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.164 -2.090 1.805 1.00 0.00 H new ATOM 323 N LYS A 22 3.243 1.450 -1.853 1.00 0.00 N ATOM 324 CA LYS A 22 3.420 2.269 -3.062 1.00 0.00 C ATOM 325 C LYS A 22 3.501 3.755 -2.678 1.00 0.00 C ATOM 326 O LYS A 22 2.842 4.175 -1.725 1.00 0.00 O ATOM 327 CB LYS A 22 2.252 2.065 -4.051 1.00 0.00 C ATOM 328 CG LYS A 22 1.869 0.616 -4.394 1.00 0.00 C ATOM 329 CD LYS A 22 0.760 0.065 -3.480 1.00 0.00 C ATOM 330 CE LYS A 22 0.303 -1.318 -3.943 1.00 0.00 C ATOM 331 NZ LYS A 22 1.328 -2.348 -3.688 1.00 0.00 N ATOM 0 H LYS A 22 2.605 1.890 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 22 4.345 1.957 -3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.371 2.560 -3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.502 2.578 -4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.537 0.568 -5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.751 -0.018 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.125 0.007 -2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.088 0.750 -3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.619 -1.587 -3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.075 -1.288 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.938 -3.287 -3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.157 -2.170 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.613 -2.314 -2.688 1.00 0.00 H new ATOM 345 N CYS A 23 4.238 4.570 -3.440 1.00 0.00 N ATOM 346 CA CYS A 23 4.470 5.987 -3.126 1.00 0.00 C ATOM 347 C CYS A 23 4.527 6.859 -4.377 1.00 0.00 C ATOM 348 O CYS A 23 4.787 6.381 -5.480 1.00 0.00 O ATOM 349 CB CYS A 23 5.835 6.160 -2.427 1.00 0.00 C ATOM 350 SG CYS A 23 6.373 4.845 -1.319 1.00 0.00 S ATOM 0 H CYS A 23 4.695 4.264 -4.299 1.00 0.00 H new ATOM 0 HA CYS A 23 3.637 6.293 -2.493 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.595 6.282 -3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.806 7.089 -1.858 1.00 0.00 H new ATOM 355 N ASP A 24 4.333 8.159 -4.169 1.00 0.00 N ATOM 356 CA ASP A 24 4.591 9.182 -5.167 1.00 0.00 C ATOM 357 C ASP A 24 6.072 9.622 -5.159 1.00 0.00 C ATOM 358 O ASP A 24 6.872 9.204 -4.313 1.00 0.00 O ATOM 359 CB ASP A 24 3.603 10.353 -4.994 1.00 0.00 C ATOM 360 CG ASP A 24 3.586 10.965 -3.595 1.00 0.00 C ATOM 361 OD1 ASP A 24 4.683 11.149 -3.022 1.00 0.00 O ATOM 362 OD2 ASP A 24 2.466 11.241 -3.116 1.00 0.00 O ATOM 0 H ASP A 24 3.986 8.533 -3.286 1.00 0.00 H new ATOM 0 HA ASP A 24 4.418 8.763 -6.158 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.852 11.132 -5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.599 10.004 -5.236 1.00 0.00 H new ATOM 367 N GLU A 25 6.442 10.505 -6.096 1.00 0.00 N ATOM 368 CA GLU A 25 7.774 11.118 -6.176 1.00 0.00 C ATOM 369 C GLU A 25 8.143 11.892 -4.898 1.00 0.00 C ATOM 370 O GLU A 25 9.308 11.930 -4.507 1.00 0.00 O ATOM 371 CB GLU A 25 7.813 12.036 -7.410 1.00 0.00 C ATOM 372 CG GLU A 25 9.194 12.652 -7.668 1.00 0.00 C ATOM 373 CD GLU A 25 9.187 13.479 -8.953 1.00 0.00 C ATOM 374 OE1 GLU A 25 8.809 14.668 -8.864 1.00 0.00 O ATOM 375 OE2 GLU A 25 9.542 12.904 -10.006 1.00 0.00 O ATOM 0 H GLU A 25 5.812 10.819 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 25 8.518 10.327 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.508 11.466 -8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.085 12.837 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.479 13.282 -6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.942 11.862 -7.742 1.00 0.00 H new ATOM 382 N ASN A 26 7.138 12.431 -4.202 1.00 0.00 N ATOM 383 CA ASN A 26 7.238 13.287 -3.024 1.00 0.00 C ATOM 384 C ASN A 26 7.401 12.467 -1.729 1.00 0.00 C ATOM 385 O ASN A 26 7.185 12.985 -0.632 1.00 0.00 O ATOM 386 CB ASN A 26 5.978 14.182 -2.958 1.00 0.00 C ATOM 387 CG ASN A 26 5.480 14.651 -4.321 1.00 0.00 C ATOM 388 OD1 ASN A 26 4.842 13.905 -5.052 1.00 0.00 O ATOM 389 ND2 ASN A 26 5.768 15.876 -4.709 1.00 0.00 N ATOM 0 H ASN A 26 6.167 12.267 -4.468 1.00 0.00 H new ATOM 0 HA ASN A 26 8.130 13.907 -3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.179 13.632 -2.460 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.196 15.054 -2.342 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.459 16.207 -5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.300 16.493 -4.096 1.00 0.00 H new ATOM 396 N GLY A 27 7.719 11.171 -1.845 1.00 0.00 N ATOM 397 CA GLY A 27 7.943 10.254 -0.731 1.00 0.00 C ATOM 398 C GLY A 27 6.698 9.956 0.102 1.00 0.00 C ATOM 399 O GLY A 27 6.816 9.345 1.163 1.00 0.00 O ATOM 0 H GLY A 27 7.830 10.720 -2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.336 9.316 -1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.709 10.674 -0.079 1.00 0.00 H new ATOM 403 N ASN A 28 5.518 10.393 -0.337 1.00 0.00 N ATOM 404 CA ASN A 28 4.271 10.150 0.371 1.00 0.00 C ATOM 405 C ASN A 28 3.640 8.853 -0.149 1.00 0.00 C ATOM 406 O ASN A 28 3.774 8.516 -1.332 1.00 0.00 O ATOM 407 CB ASN A 28 3.372 11.386 0.231 1.00 0.00 C ATOM 408 CG ASN A 28 3.759 12.505 1.194 1.00 0.00 C ATOM 409 OD1 ASN A 28 3.022 12.839 2.107 1.00 0.00 O ATOM 410 ND2 ASN A 28 4.911 13.131 1.046 1.00 0.00 N ATOM 0 H ASN A 28 5.405 10.928 -1.198 1.00 0.00 H new ATOM 0 HA ASN A 28 4.434 10.003 1.439 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.427 11.757 -0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.336 11.099 0.410 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.171 13.879 1.689 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.541 12.867 0.289 1.00 0.00 H new ATOM 417 N TYR A 29 2.959 8.129 0.742 1.00 0.00 N ATOM 418 CA TYR A 29 2.245 6.897 0.420 1.00 0.00 C ATOM 419 C TYR A 29 1.138 7.214 -0.583 1.00 0.00 C ATOM 420 O TYR A 29 0.323 8.109 -0.352 1.00 0.00 O ATOM 421 CB TYR A 29 1.686 6.237 1.691 1.00 0.00 C ATOM 422 CG TYR A 29 2.737 5.634 2.613 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.412 6.447 3.545 1.00 0.00 C ATOM 424 CD2 TYR A 29 3.050 4.260 2.534 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.395 5.897 4.388 1.00 0.00 C ATOM 426 CE2 TYR A 29 4.058 3.711 3.354 1.00 0.00 C ATOM 427 CZ TYR A 29 4.740 4.533 4.280 1.00 0.00 C ATOM 428 OH TYR A 29 5.754 4.034 5.041 1.00 0.00 O ATOM 0 H TYR A 29 2.889 8.390 1.726 1.00 0.00 H new ATOM 0 HA TYR A 29 2.934 6.182 -0.029 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.117 6.980 2.249 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.987 5.454 1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.174 7.498 3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.515 3.626 1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.887 6.521 5.120 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.308 2.663 3.274 1.00 0.00 H new ATOM 0 HH TYR A 29 5.867 3.079 4.851 1.00 0.00 H new ATOM 438 N LEU A 30 1.131 6.492 -1.709 1.00 0.00 N ATOM 439 CA LEU A 30 0.106 6.664 -2.734 1.00 0.00 C ATOM 440 C LEU A 30 -1.288 6.409 -2.114 1.00 0.00 C ATOM 441 O LEU A 30 -1.399 5.498 -1.290 1.00 0.00 O ATOM 442 CB LEU A 30 0.369 5.717 -3.922 1.00 0.00 C ATOM 443 CG LEU A 30 1.074 6.387 -5.113 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.553 5.315 -6.095 1.00 0.00 C ATOM 445 CD2 LEU A 30 0.168 7.363 -5.869 1.00 0.00 C ATOM 0 H LEU A 30 1.828 5.781 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 30 0.138 7.686 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.976 4.880 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.581 5.304 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 30 1.911 6.953 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.052 5.791 -6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.250 4.646 -5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.698 4.743 -6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.721 7.804 -6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.700 6.829 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.162 8.151 -5.193 1.00 0.00 H new ATOM 457 N PRO A 31 -2.357 7.134 -2.507 1.00 0.00 N ATOM 458 CA PRO A 31 -3.690 7.037 -1.897 1.00 0.00 C ATOM 459 C PRO A 31 -4.294 5.635 -1.733 1.00 0.00 C ATOM 460 O PRO A 31 -5.150 5.466 -0.871 1.00 0.00 O ATOM 461 CB PRO A 31 -4.592 7.901 -2.781 1.00 0.00 C ATOM 462 CG PRO A 31 -3.648 9.003 -3.235 1.00 0.00 C ATOM 463 CD PRO A 31 -2.334 8.254 -3.440 1.00 0.00 C ATOM 0 HA PRO A 31 -3.602 7.367 -0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.994 7.338 -3.623 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.443 8.298 -2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.992 9.478 -4.154 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.554 9.790 -2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.242 7.903 -4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.481 8.904 -3.247 1.00 0.00 H new ATOM 471 N LEU A 32 -3.854 4.641 -2.514 1.00 0.00 N ATOM 472 CA LEU A 32 -4.227 3.229 -2.418 1.00 0.00 C ATOM 473 C LEU A 32 -2.994 2.395 -2.038 1.00 0.00 C ATOM 474 O LEU A 32 -1.922 2.585 -2.612 1.00 0.00 O ATOM 475 CB LEU A 32 -4.782 2.790 -3.786 1.00 0.00 C ATOM 476 CG LEU A 32 -5.313 1.341 -3.826 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.705 1.230 -3.212 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.405 0.864 -5.276 1.00 0.00 C ATOM 0 H LEU A 32 -3.192 4.812 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.985 3.080 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.587 3.467 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.996 2.896 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.618 0.729 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.042 0.195 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.670 1.553 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.398 1.863 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.780 -0.159 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.084 1.512 -5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.416 0.898 -5.734 1.00 0.00 H new ATOM 490 N GLN A 33 -3.157 1.435 -1.121 1.00 0.00 N ATOM 491 CA GLN A 33 -2.131 0.457 -0.739 1.00 0.00 C ATOM 492 C GLN A 33 -2.731 -0.959 -0.767 1.00 0.00 C ATOM 493 O GLN A 33 -3.913 -1.124 -0.464 1.00 0.00 O ATOM 494 CB GLN A 33 -1.597 0.782 0.665 1.00 0.00 C ATOM 495 CG GLN A 33 -1.001 2.187 0.837 1.00 0.00 C ATOM 496 CD GLN A 33 0.292 2.444 0.074 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.280 1.742 0.218 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.377 3.497 -0.705 1.00 0.00 N ATOM 0 H GLN A 33 -4.031 1.313 -0.609 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.304 0.505 -1.447 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.410 0.661 1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.833 0.048 0.923 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.743 2.920 0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.818 2.359 1.898 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.436 4.098 -0.840 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.256 3.714 -1.175 1.00 0.00 H new ATOM 507 N CYS A 34 -1.925 -1.976 -1.113 1.00 0.00 N ATOM 508 CA CYS A 34 -2.402 -3.346 -1.336 1.00 0.00 C ATOM 509 C CYS A 34 -1.520 -4.432 -0.695 1.00 0.00 C ATOM 510 O CYS A 34 -0.340 -4.579 -1.013 1.00 0.00 O ATOM 511 CB CYS A 34 -2.561 -3.608 -2.838 1.00 0.00 C ATOM 512 SG CYS A 34 -3.777 -2.585 -3.718 1.00 0.00 S ATOM 0 H CYS A 34 -0.920 -1.868 -1.246 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.368 -3.415 -0.836 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.590 -3.467 -3.313 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.834 -4.654 -2.974 1.00 0.00 H new ATOM 517 N TYR A 35 -2.123 -5.250 0.171 1.00 0.00 N ATOM 518 CA TYR A 35 -1.554 -6.479 0.724 1.00 0.00 C ATOM 519 C TYR A 35 -1.827 -7.619 -0.269 1.00 0.00 C ATOM 520 O TYR A 35 -2.636 -8.520 -0.034 1.00 0.00 O ATOM 521 CB TYR A 35 -2.118 -6.684 2.142 1.00 0.00 C ATOM 522 CG TYR A 35 -1.556 -7.783 3.034 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.588 -8.707 2.590 1.00 0.00 C ATOM 524 CD2 TYR A 35 -2.019 -7.856 4.364 1.00 0.00 C ATOM 525 CE1 TYR A 35 -0.108 -9.697 3.467 1.00 0.00 C ATOM 526 CE2 TYR A 35 -1.530 -8.842 5.244 1.00 0.00 C ATOM 527 CZ TYR A 35 -0.568 -9.769 4.796 1.00 0.00 C ATOM 528 OH TYR A 35 -0.077 -10.717 5.643 1.00 0.00 O ATOM 0 H TYR A 35 -3.063 -5.064 0.521 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.471 -6.438 0.844 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.001 -5.741 2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.188 -6.863 2.042 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.215 -8.655 1.578 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.757 -7.148 4.712 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.623 -10.411 3.116 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.892 -8.887 6.260 1.00 0.00 H new ATOM 0 HH TYR A 35 0.856 -10.909 5.413 1.00 0.00 H new ATOM 538 N GLY A 36 -1.122 -7.555 -1.409 1.00 0.00 N ATOM 539 CA GLY A 36 -1.309 -8.428 -2.572 1.00 0.00 C ATOM 540 C GLY A 36 -1.305 -9.926 -2.251 1.00 0.00 C ATOM 541 O GLY A 36 -2.075 -10.670 -2.850 1.00 0.00 O ATOM 0 H GLY A 36 -0.380 -6.869 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.254 -8.175 -3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.520 -8.222 -3.295 1.00 0.00 H new ATOM 545 N SER A 37 -0.520 -10.354 -1.253 1.00 0.00 N ATOM 546 CA SER A 37 -0.460 -11.735 -0.755 1.00 0.00 C ATOM 547 C SER A 37 -1.811 -12.326 -0.329 1.00 0.00 C ATOM 548 O SER A 37 -1.957 -13.545 -0.344 1.00 0.00 O ATOM 549 CB SER A 37 0.465 -11.806 0.457 1.00 0.00 C ATOM 550 OG SER A 37 1.784 -11.416 0.128 1.00 0.00 O ATOM 0 H SER A 37 0.112 -9.728 -0.754 1.00 0.00 H new ATOM 0 HA SER A 37 -0.097 -12.321 -1.599 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.081 -11.161 1.247 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.473 -12.822 0.851 1.00 0.00 H new ATOM 0 HG SER A 37 2.165 -10.897 0.866 1.00 0.00 H new ATOM 556 N ILE A 38 -2.789 -11.488 0.042 1.00 0.00 N ATOM 557 CA ILE A 38 -4.164 -11.880 0.361 1.00 0.00 C ATOM 558 C ILE A 38 -5.186 -11.226 -0.588 1.00 0.00 C ATOM 559 O ILE A 38 -6.390 -11.340 -0.375 1.00 0.00 O ATOM 560 CB ILE A 38 -4.459 -11.591 1.848 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.320 -10.099 2.217 1.00 0.00 C ATOM 562 CG2 ILE A 38 -3.581 -12.478 2.751 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.889 -9.754 3.598 1.00 0.00 C ATOM 0 H ILE A 38 -2.636 -10.483 0.131 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.267 -12.954 0.203 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.506 -11.842 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.266 -9.823 2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.828 -9.498 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.801 -12.263 3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.791 -13.528 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.529 -12.272 2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.757 -8.689 3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.951 -9.999 3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.364 -10.328 4.362 1.00 0.00 H new ATOM 575 N GLY A 39 -4.717 -10.521 -1.628 1.00 0.00 N ATOM 576 CA GLY A 39 -5.539 -9.822 -2.614 1.00 0.00 C ATOM 577 C GLY A 39 -6.231 -8.560 -2.090 1.00 0.00 C ATOM 578 O GLY A 39 -7.081 -8.012 -2.789 1.00 0.00 O ATOM 0 H GLY A 39 -3.718 -10.421 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.912 -9.550 -3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.299 -10.509 -2.986 1.00 0.00 H new ATOM 582 N TYR A 40 -5.921 -8.106 -0.869 1.00 0.00 N ATOM 583 CA TYR A 40 -6.624 -6.969 -0.267 1.00 0.00 C ATOM 584 C TYR A 40 -5.944 -5.634 -0.589 1.00 0.00 C ATOM 585 O TYR A 40 -4.720 -5.552 -0.670 1.00 0.00 O ATOM 586 CB TYR A 40 -6.720 -7.085 1.267 1.00 0.00 C ATOM 587 CG TYR A 40 -7.658 -8.112 1.884 1.00 0.00 C ATOM 588 CD1 TYR A 40 -8.216 -9.179 1.149 1.00 0.00 C ATOM 589 CD2 TYR A 40 -7.953 -7.986 3.256 1.00 0.00 C ATOM 590 CE1 TYR A 40 -9.051 -10.117 1.785 1.00 0.00 C ATOM 591 CE2 TYR A 40 -8.793 -8.915 3.894 1.00 0.00 C ATOM 592 CZ TYR A 40 -9.355 -9.977 3.156 1.00 0.00 C ATOM 593 OH TYR A 40 -10.169 -10.870 3.776 1.00 0.00 O ATOM 0 H TYR A 40 -5.190 -8.508 -0.281 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.623 -6.993 -0.702 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.718 -7.291 1.642 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.009 -6.107 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.002 -9.277 0.095 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.530 -7.169 3.822 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.459 -10.944 1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.008 -8.816 4.948 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.269 -10.622 4.719 1.00 0.00 H new ATOM 603 N CYS A 41 -6.744 -4.568 -0.652 1.00 0.00 N ATOM 604 CA CYS A 41 -6.300 -3.179 -0.699 1.00 0.00 C ATOM 605 C CYS A 41 -7.122 -2.332 0.273 1.00 0.00 C ATOM 606 O CYS A 41 -8.223 -2.721 0.665 1.00 0.00 O ATOM 607 CB CYS A 41 -6.405 -2.602 -2.117 1.00 0.00 C ATOM 608 SG CYS A 41 -5.576 -3.521 -3.443 1.00 0.00 S ATOM 0 H CYS A 41 -7.760 -4.656 -0.672 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.251 -3.154 -0.404 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.462 -2.519 -2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.000 -1.590 -2.102 1.00 0.00 H new ATOM 613 N TRP A 42 -6.585 -1.167 0.634 1.00 0.00 N ATOM 614 CA TRP A 42 -7.257 -0.099 1.375 1.00 0.00 C ATOM 615 C TRP A 42 -6.762 1.259 0.866 1.00 0.00 C ATOM 616 O TRP A 42 -5.700 1.354 0.239 1.00 0.00 O ATOM 617 CB TRP A 42 -7.005 -0.247 2.879 1.00 0.00 C ATOM 618 CG TRP A 42 -5.567 -0.274 3.285 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.798 0.799 3.581 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.704 -1.441 3.398 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.518 0.369 3.879 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.400 -0.997 3.755 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.894 -2.828 3.223 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.326 -1.881 3.915 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.831 -3.729 3.404 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.549 -3.260 3.746 1.00 0.00 C ATOM 0 H TRP A 42 -5.619 -0.930 0.406 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.333 -0.167 1.212 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.496 0.577 3.396 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.480 -1.166 3.222 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.130 1.827 3.584 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.756 0.987 4.156 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.869 -3.202 2.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.343 -1.511 4.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.999 -4.789 3.280 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.736 -3.959 3.879 1.00 0.00 H new ATOM 637 N CYS A 43 -7.503 2.325 1.176 1.00 0.00 N ATOM 638 CA CYS A 43 -7.015 3.681 0.941 1.00 0.00 C ATOM 639 C CYS A 43 -6.174 4.141 2.131 1.00 0.00 C ATOM 640 O CYS A 43 -6.445 3.749 3.268 1.00 0.00 O ATOM 641 CB CYS A 43 -8.172 4.659 0.730 1.00 0.00 C ATOM 642 SG CYS A 43 -9.237 4.345 -0.694 1.00 0.00 S ATOM 0 H CYS A 43 -8.435 2.274 1.587 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.406 3.668 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.791 4.655 1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.758 5.663 0.633 1.00 0.00 H new ATOM 647 N VAL A 44 -5.211 5.034 1.897 1.00 0.00 N ATOM 648 CA VAL A 44 -4.425 5.689 2.948 1.00 0.00 C ATOM 649 C VAL A 44 -4.350 7.197 2.726 1.00 0.00 C ATOM 650 O VAL A 44 -4.447 7.679 1.598 1.00 0.00 O ATOM 651 CB VAL A 44 -2.979 5.155 3.042 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.919 3.665 3.383 1.00 0.00 C ATOM 653 CG2 VAL A 44 -2.157 5.409 1.774 1.00 0.00 C ATOM 0 H VAL A 44 -4.950 5.329 0.956 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.947 5.462 3.878 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.536 5.723 3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.878 3.345 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.401 3.492 4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.435 3.094 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.151 5.010 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.634 4.917 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.100 6.481 1.586 1.00 0.00 H new ATOM 663 N PHE A 45 -4.129 7.941 3.809 1.00 0.00 N ATOM 664 CA PHE A 45 -3.738 9.344 3.738 1.00 0.00 C ATOM 665 C PHE A 45 -2.232 9.396 3.381 1.00 0.00 C ATOM 666 O PHE A 45 -1.528 8.407 3.605 1.00 0.00 O ATOM 667 CB PHE A 45 -4.051 10.019 5.080 1.00 0.00 C ATOM 668 CG PHE A 45 -5.540 10.123 5.365 1.00 0.00 C ATOM 669 CD1 PHE A 45 -6.319 11.075 4.680 1.00 0.00 C ATOM 670 CD2 PHE A 45 -6.157 9.264 6.297 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.701 11.169 4.926 1.00 0.00 C ATOM 672 CE2 PHE A 45 -7.536 9.362 6.549 1.00 0.00 C ATOM 673 CZ PHE A 45 -8.309 10.314 5.861 1.00 0.00 C ATOM 0 H PHE A 45 -4.217 7.585 4.761 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.292 9.885 2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.573 9.457 5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.616 11.018 5.087 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.854 11.735 3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.567 8.526 6.820 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.295 11.899 4.396 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.002 8.707 7.270 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.370 10.388 6.051 1.00 0.00 H new ATOM 683 N PRO A 46 -1.694 10.519 2.859 1.00 0.00 N ATOM 684 CA PRO A 46 -0.317 10.609 2.346 1.00 0.00 C ATOM 685 C PRO A 46 0.813 10.114 3.274 1.00 0.00 C ATOM 686 O PRO A 46 1.867 9.696 2.792 1.00 0.00 O ATOM 687 CB PRO A 46 -0.135 12.087 1.986 1.00 0.00 C ATOM 688 CG PRO A 46 -1.538 12.524 1.581 1.00 0.00 C ATOM 689 CD PRO A 46 -2.427 11.738 2.540 1.00 0.00 C ATOM 0 HA PRO A 46 -0.217 9.923 1.505 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.238 12.664 2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.578 12.218 1.172 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.675 13.600 1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.752 12.282 0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.635 12.315 3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.388 11.507 2.080 1.00 0.00 H new ATOM 697 N ASN A 47 0.604 10.104 4.598 1.00 0.00 N ATOM 698 CA ASN A 47 1.547 9.583 5.584 1.00 0.00 C ATOM 699 C ASN A 47 1.489 8.050 5.786 1.00 0.00 C ATOM 700 O ASN A 47 2.292 7.521 6.549 1.00 0.00 O ATOM 701 CB ASN A 47 1.347 10.333 6.915 1.00 0.00 C ATOM 702 CG ASN A 47 0.182 9.801 7.740 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.835 9.347 7.222 1.00 0.00 O ATOM 704 ND2 ASN A 47 0.301 9.805 9.052 1.00 0.00 N ATOM 0 H ASN A 47 -0.250 10.469 5.019 1.00 0.00 H new ATOM 0 HA ASN A 47 2.547 9.764 5.191 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.262 10.263 7.504 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.182 11.390 6.707 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.450 9.432 9.633 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.144 10.181 9.487 1.00 0.00 H new ATOM 711 N GLY A 48 0.545 7.350 5.140 1.00 0.00 N ATOM 712 CA GLY A 48 0.331 5.904 5.247 1.00 0.00 C ATOM 713 C GLY A 48 -0.842 5.492 6.149 1.00 0.00 C ATOM 714 O GLY A 48 -1.098 4.297 6.290 1.00 0.00 O ATOM 0 H GLY A 48 -0.116 7.796 4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.162 5.501 4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.243 5.443 5.627 1.00 0.00 H new ATOM 718 N THR A 49 -1.564 6.444 6.757 1.00 0.00 N ATOM 719 CA THR A 49 -2.689 6.162 7.668 1.00 0.00 C ATOM 720 C THR A 49 -3.880 5.617 6.883 1.00 0.00 C ATOM 721 O THR A 49 -4.454 6.347 6.080 1.00 0.00 O ATOM 722 CB THR A 49 -3.143 7.414 8.441 1.00 0.00 C ATOM 723 OG1 THR A 49 -2.046 8.057 9.038 1.00 0.00 O ATOM 724 CG2 THR A 49 -4.139 7.081 9.553 1.00 0.00 C ATOM 0 H THR A 49 -1.384 7.440 6.631 1.00 0.00 H new ATOM 0 HA THR A 49 -2.333 5.424 8.386 1.00 0.00 H new ATOM 0 HB THR A 49 -3.623 8.061 7.707 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.790 8.834 8.499 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.429 7.997 10.068 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.023 6.612 9.121 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.676 6.396 10.263 1.00 0.00 H new ATOM 732 N GLU A 50 -4.260 4.354 7.103 1.00 0.00 N ATOM 733 CA GLU A 50 -5.435 3.743 6.473 1.00 0.00 C ATOM 734 C GLU A 50 -6.734 4.528 6.720 1.00 0.00 C ATOM 735 O GLU A 50 -7.039 4.922 7.846 1.00 0.00 O ATOM 736 CB GLU A 50 -5.569 2.275 6.925 1.00 0.00 C ATOM 737 CG GLU A 50 -6.826 1.596 6.344 1.00 0.00 C ATOM 738 CD GLU A 50 -6.910 0.082 6.566 1.00 0.00 C ATOM 739 OE1 GLU A 50 -5.869 -0.536 6.882 1.00 0.00 O ATOM 740 OE2 GLU A 50 -8.039 -0.437 6.414 1.00 0.00 O ATOM 0 H GLU A 50 -3.758 3.723 7.727 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.276 3.774 5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.683 1.720 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.607 2.234 8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.708 2.061 6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.864 1.793 5.273 1.00 0.00 H new ATOM 747 N VAL A 51 -7.531 4.675 5.658 1.00 0.00 N ATOM 748 CA VAL A 51 -8.905 5.172 5.699 1.00 0.00 C ATOM 749 C VAL A 51 -9.779 3.960 6.067 1.00 0.00 C ATOM 750 O VAL A 51 -9.888 3.025 5.257 1.00 0.00 O ATOM 751 CB VAL A 51 -9.343 5.752 4.341 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.751 6.357 4.438 1.00 0.00 C ATOM 753 CG2 VAL A 51 -8.391 6.838 3.823 1.00 0.00 C ATOM 0 H VAL A 51 -7.224 4.442 4.713 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.000 5.982 6.422 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.329 4.916 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.041 6.761 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.459 5.584 4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.753 7.156 5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.750 7.209 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.352 7.659 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.393 6.418 3.699 1.00 0.00 H new ATOM 763 N PRO A 52 -10.356 3.917 7.285 1.00 0.00 N ATOM 764 CA PRO A 52 -11.010 2.722 7.806 1.00 0.00 C ATOM 765 C PRO A 52 -12.211 2.304 6.953 1.00 0.00 C ATOM 766 O PRO A 52 -12.790 3.104 6.220 1.00 0.00 O ATOM 767 CB PRO A 52 -11.396 3.053 9.252 1.00 0.00 C ATOM 768 CG PRO A 52 -11.522 4.574 9.248 1.00 0.00 C ATOM 769 CD PRO A 52 -10.444 5.001 8.253 1.00 0.00 C ATOM 0 HA PRO A 52 -10.345 1.859 7.773 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.332 2.573 9.537 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.637 2.715 9.957 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.514 4.897 8.932 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.349 4.997 10.238 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.708 5.940 7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.489 5.159 8.753 1.00 0.00 H new ATOM 777 N ASN A 53 -12.555 1.016 7.041 1.00 0.00 N ATOM 778 CA ASN A 53 -13.607 0.348 6.269 1.00 0.00 C ATOM 779 C ASN A 53 -13.430 0.382 4.734 1.00 0.00 C ATOM 780 O ASN A 53 -14.266 -0.195 4.041 1.00 0.00 O ATOM 781 CB ASN A 53 -14.993 0.844 6.731 1.00 0.00 C ATOM 782 CG ASN A 53 -15.246 0.562 8.205 1.00 0.00 C ATOM 783 OD1 ASN A 53 -14.848 1.306 9.086 1.00 0.00 O ATOM 784 ND2 ASN A 53 -15.905 -0.535 8.521 1.00 0.00 N ATOM 0 H ASN A 53 -12.084 0.379 7.684 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.519 -0.715 6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.072 1.916 6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.767 0.362 6.133 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.081 -0.760 9.500 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.239 -1.159 7.786 1.00 0.00 H new ATOM 791 N THR A 54 -12.347 0.959 4.181 1.00 0.00 N ATOM 792 CA THR A 54 -12.036 0.814 2.749 1.00 0.00 C ATOM 793 C THR A 54 -11.568 -0.600 2.441 1.00 0.00 C ATOM 794 O THR A 54 -11.838 -1.088 1.341 1.00 0.00 O ATOM 795 CB THR A 54 -10.992 1.819 2.223 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.791 1.800 2.972 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.564 3.235 2.254 1.00 0.00 C ATOM 0 H THR A 54 -11.677 1.526 4.701 1.00 0.00 H new ATOM 0 HA THR A 54 -12.970 1.031 2.231 1.00 0.00 H new ATOM 0 HB THR A 54 -10.759 1.519 1.201 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.864 2.426 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.818 3.937 1.880 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.453 3.282 1.626 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.829 3.498 3.278 1.00 0.00 H new ATOM 805 N ARG A 55 -10.907 -1.270 3.405 1.00 0.00 N ATOM 806 CA ARG A 55 -10.267 -2.566 3.193 1.00 0.00 C ATOM 807 C ARG A 55 -11.182 -3.542 2.449 1.00 0.00 C ATOM 808 O ARG A 55 -12.314 -3.800 2.859 1.00 0.00 O ATOM 809 CB ARG A 55 -9.575 -3.136 4.448 1.00 0.00 C ATOM 810 CG ARG A 55 -10.443 -3.392 5.690 1.00 0.00 C ATOM 811 CD ARG A 55 -10.830 -4.860 5.940 1.00 0.00 C ATOM 812 NE ARG A 55 -11.977 -5.217 5.107 1.00 0.00 N ATOM 813 CZ ARG A 55 -13.028 -5.959 5.397 1.00 0.00 C ATOM 814 NH1 ARG A 55 -13.033 -6.798 6.402 1.00 0.00 N ATOM 815 NH2 ARG A 55 -14.097 -5.832 4.645 1.00 0.00 N ATOM 0 H ARG A 55 -10.806 -0.917 4.357 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.429 -2.395 2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.101 -4.078 4.171 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.778 -2.449 4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.911 -3.021 6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.357 -2.804 5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.987 -5.512 5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.073 -5.008 6.992 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.962 -4.836 4.161 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.205 -6.894 6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.864 -7.356 6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.097 -5.175 3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.928 -6.391 4.841 1.00 0.00 H new ATOM 829 N SER A 56 -10.708 -3.997 1.297 1.00 0.00 N ATOM 830 CA SER A 56 -11.482 -4.769 0.321 1.00 0.00 C ATOM 831 C SER A 56 -10.578 -5.694 -0.491 1.00 0.00 C ATOM 832 O SER A 56 -9.375 -5.473 -0.564 1.00 0.00 O ATOM 833 CB SER A 56 -12.189 -3.819 -0.666 1.00 0.00 C ATOM 834 OG SER A 56 -13.065 -2.898 -0.044 1.00 0.00 O ATOM 0 H SER A 56 -9.745 -3.837 1.002 1.00 0.00 H new ATOM 0 HA SER A 56 -12.209 -5.360 0.877 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.435 -3.267 -1.227 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.752 -4.412 -1.386 1.00 0.00 H new ATOM 0 HG SER A 56 -12.548 -2.147 0.315 1.00 0.00 H new ATOM 840 N ARG A 57 -11.171 -6.670 -1.187 1.00 0.00 N ATOM 841 CA ARG A 57 -10.544 -7.690 -2.050 1.00 0.00 C ATOM 842 C ARG A 57 -10.120 -7.129 -3.425 1.00 0.00 C ATOM 843 O ARG A 57 -9.930 -7.870 -4.386 1.00 0.00 O ATOM 844 CB ARG A 57 -11.522 -8.877 -2.200 1.00 0.00 C ATOM 845 CG ARG A 57 -11.692 -9.780 -0.963 1.00 0.00 C ATOM 846 CD ARG A 57 -12.464 -9.178 0.222 1.00 0.00 C ATOM 847 NE ARG A 57 -11.585 -8.461 1.160 1.00 0.00 N ATOM 848 CZ ARG A 57 -11.969 -7.733 2.198 1.00 0.00 C ATOM 849 NH1 ARG A 57 -13.232 -7.561 2.489 1.00 0.00 N ATOM 850 NH2 ARG A 57 -11.088 -7.162 2.981 1.00 0.00 N ATOM 0 H ARG A 57 -12.185 -6.780 -1.163 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.622 -8.027 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.501 -8.482 -2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.185 -9.496 -3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.200 -10.693 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.701 -10.070 -0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.225 -8.494 -0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.986 -9.974 0.754 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.581 -8.532 0.994 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -13.952 -7.993 1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.497 -6.995 3.295 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.091 -7.275 2.795 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.398 -6.604 3.777 1.00 0.00 H new ATOM 864 N GLY A 58 -10.032 -5.804 -3.526 1.00 0.00 N ATOM 865 CA GLY A 58 -9.686 -5.062 -4.734 1.00 0.00 C ATOM 866 C GLY A 58 -9.550 -3.558 -4.486 1.00 0.00 C ATOM 867 O GLY A 58 -9.709 -3.084 -3.360 1.00 0.00 O ATOM 0 H GLY A 58 -10.208 -5.191 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.748 -5.446 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.450 -5.233 -5.492 1.00 0.00 H new ATOM 871 N HIS A 59 -9.229 -2.824 -5.557 1.00 0.00 N ATOM 872 CA HIS A 59 -8.974 -1.381 -5.561 1.00 0.00 C ATOM 873 C HIS A 59 -10.226 -0.536 -5.244 1.00 0.00 C ATOM 874 O HIS A 59 -11.356 -1.021 -5.313 1.00 0.00 O ATOM 875 CB HIS A 59 -8.421 -0.980 -6.943 1.00 0.00 C ATOM 876 CG HIS A 59 -7.417 -1.935 -7.552 1.00 0.00 C ATOM 877 ND1 HIS A 59 -7.483 -2.456 -8.826 1.00 0.00 N ATOM 878 CD2 HIS A 59 -6.308 -2.465 -6.947 1.00 0.00 C ATOM 879 CE1 HIS A 59 -6.433 -3.280 -8.982 1.00 0.00 C ATOM 880 NE2 HIS A 59 -5.694 -3.319 -7.865 1.00 0.00 N ATOM 0 H HIS A 59 -9.136 -3.238 -6.484 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.253 -1.177 -4.769 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.259 -0.875 -7.632 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -7.955 0.001 -6.856 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.970 -2.259 -5.942 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.215 -3.834 -9.883 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.847 -3.867 -7.715 1.00 0.00 H new ATOM 888 N HIS A 60 -10.024 0.759 -4.966 1.00 0.00 N ATOM 889 CA HIS A 60 -11.090 1.748 -4.760 1.00 0.00 C ATOM 890 C HIS A 60 -10.601 3.176 -5.080 1.00 0.00 C ATOM 891 O HIS A 60 -9.404 3.429 -5.231 1.00 0.00 O ATOM 892 CB HIS A 60 -11.714 1.624 -3.348 1.00 0.00 C ATOM 893 CG HIS A 60 -10.920 0.822 -2.345 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.254 -0.407 -1.827 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.690 1.146 -1.853 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.236 -0.796 -1.040 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.260 0.117 -1.031 1.00 0.00 N ATOM 0 H HIS A 60 -9.090 1.158 -4.876 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.892 1.533 -5.467 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.861 2.627 -2.948 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.701 1.172 -3.446 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.113 -0.926 -2.006 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.143 2.052 -2.068 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.210 -1.724 -0.488 1.00 0.00 H new ATOM 905 N ASN A 61 -11.546 4.115 -5.195 1.00 0.00 N ATOM 906 CA ASN A 61 -11.399 5.478 -5.705 1.00 0.00 C ATOM 907 C ASN A 61 -10.816 6.435 -4.652 1.00 0.00 C ATOM 908 O ASN A 61 -11.462 7.394 -4.231 1.00 0.00 O ATOM 909 CB ASN A 61 -12.772 5.951 -6.227 1.00 0.00 C ATOM 910 CG ASN A 61 -13.370 5.010 -7.263 1.00 0.00 C ATOM 911 OD1 ASN A 61 -13.901 3.961 -6.935 1.00 0.00 O ATOM 912 ND2 ASN A 61 -13.294 5.344 -8.536 1.00 0.00 N ATOM 0 H ASN A 61 -12.507 3.925 -4.911 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.679 5.482 -6.524 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.461 6.044 -5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.666 6.944 -6.664 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.679 4.725 -9.249 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.850 6.221 -8.807 1.00 0.00 H new ATOM 919 N CYS A 62 -9.597 6.145 -4.197 1.00 0.00 N ATOM 920 CA CYS A 62 -8.990 6.818 -3.053 1.00 0.00 C ATOM 921 C CYS A 62 -8.691 8.312 -3.267 1.00 0.00 C ATOM 922 O CYS A 62 -7.652 8.696 -3.802 1.00 0.00 O ATOM 923 CB CYS A 62 -7.720 6.099 -2.636 1.00 0.00 C ATOM 924 SG CYS A 62 -7.931 4.354 -2.251 1.00 0.00 S ATOM 0 H CYS A 62 -9.001 5.431 -4.616 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.740 6.774 -2.263 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.986 6.194 -3.437 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.305 6.602 -1.762 1.00 0.00 H new