USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 438 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 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 40 THR OG1 : rot -169:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0.233 K(o=0.23,f=-0.5) USER MOD Single : A 4 CYS SG : rot 180:sc= -2.4! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 47:sc= 0.461 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.00038) USER MOD Single : A 14 ASN : amide:sc= -1.02 K(o=-1,f=-3.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 36:sc= 0.0938 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 152:sc= -1.9! USER MOD Single : A 51 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.076) USER MOD Single : A 54 LYS NZ :NH3+ -132:sc= 0.0701 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -2.352 11.017 3.962 1.00 0.00 N ATOM 21 CA ARG A 2 -2.556 9.710 4.576 1.00 0.00 C ATOM 22 C ARG A 2 -1.394 8.774 4.263 1.00 0.00 C ATOM 23 O ARG A 2 -0.926 8.708 3.127 1.00 0.00 O ATOM 24 CB ARG A 2 -3.869 9.093 4.088 1.00 0.00 C ATOM 25 CG ARG A 2 -5.100 9.892 4.483 1.00 0.00 C ATOM 26 CD ARG A 2 -5.705 10.614 3.290 1.00 0.00 C ATOM 27 NE ARG A 2 -5.964 9.707 2.175 1.00 0.00 N ATOM 28 CZ ARG A 2 -7.000 8.873 2.123 1.00 0.00 C ATOM 29 NH1 ARG A 2 -7.875 8.827 3.121 1.00 0.00 N ATOM 30 NH2 ARG A 2 -7.162 8.082 1.072 1.00 0.00 N ATOM 0 HA ARG A 2 -2.607 9.848 5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.837 9.003 3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.957 8.083 4.489 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.843 9.225 4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.832 10.618 5.251 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.636 11.094 3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.030 11.405 2.964 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.313 9.713 1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.755 9.433 3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.667 8.186 3.076 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.493 8.112 0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.956 7.443 1.032 1.00 0.00 H new ATOM 44 N GLN A 3 -0.934 8.052 5.279 1.00 0.00 N ATOM 45 CA GLN A 3 0.174 7.118 5.112 1.00 0.00 C ATOM 46 C GLN A 3 -0.069 5.840 5.909 1.00 0.00 C ATOM 47 O GLN A 3 -0.634 5.876 7.002 1.00 0.00 O ATOM 48 CB GLN A 3 1.488 7.768 5.550 1.00 0.00 C ATOM 49 CG GLN A 3 2.314 8.307 4.394 1.00 0.00 C ATOM 50 CD GLN A 3 3.384 9.281 4.846 1.00 0.00 C ATOM 51 OE1 GLN A 3 3.806 9.266 6.003 1.00 0.00 O ATOM 52 NE2 GLN A 3 3.830 10.136 3.933 1.00 0.00 N ATOM 0 H GLN A 3 -1.311 8.095 6.226 1.00 0.00 H new ATOM 0 HA GLN A 3 0.243 6.858 4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.269 8.583 6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.081 7.036 6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.784 7.475 3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.655 8.802 3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 3 3.452 10.114 2.986 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.550 10.815 4.179 1.00 0.00 H new ATOM 61 N CYS A 4 0.361 4.712 5.354 1.00 0.00 N ATOM 62 CA CYS A 4 0.191 3.422 6.013 1.00 0.00 C ATOM 63 C CYS A 4 1.338 2.480 5.673 1.00 0.00 C ATOM 64 O CYS A 4 1.896 2.535 4.578 1.00 0.00 O ATOM 65 CB CYS A 4 -1.137 2.774 5.605 1.00 0.00 C ATOM 66 SG CYS A 4 -1.662 3.137 3.912 1.00 0.00 S ATOM 0 H CYS A 4 0.830 4.665 4.449 1.00 0.00 H new ATOM 0 HA CYS A 4 0.187 3.601 7.088 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.050 1.694 5.721 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.915 3.107 6.292 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.792 2.541 3.671 1.00 0.00 H new ATOM 72 N LYS A 5 1.676 1.606 6.614 1.00 0.00 N ATOM 73 CA LYS A 5 2.746 0.642 6.404 1.00 0.00 C ATOM 74 C LYS A 5 2.201 -0.781 6.456 1.00 0.00 C ATOM 75 O LYS A 5 1.559 -1.176 7.423 1.00 0.00 O ATOM 76 CB LYS A 5 3.833 0.825 7.465 1.00 0.00 C ATOM 77 CG LYS A 5 4.989 -0.154 7.336 1.00 0.00 C ATOM 78 CD LYS A 5 5.510 -0.580 8.699 1.00 0.00 C ATOM 79 CE LYS A 5 4.917 -1.913 9.129 1.00 0.00 C ATOM 80 NZ LYS A 5 4.982 -2.099 10.605 1.00 0.00 N ATOM 0 H LYS A 5 1.225 1.546 7.527 1.00 0.00 H new ATOM 0 HA LYS A 5 3.178 0.813 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.221 1.841 7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.385 0.716 8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.663 -1.032 6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.795 0.306 6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.597 -0.657 8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.267 0.183 9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.879 -1.971 8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.453 -2.725 8.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.568 -3.019 10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.974 -2.069 10.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.449 -1.339 11.074 1.00 0.00 H new ATOM 94 N VAL A 6 2.469 -1.540 5.404 1.00 0.00 N ATOM 95 CA VAL A 6 2.016 -2.922 5.298 1.00 0.00 C ATOM 96 C VAL A 6 2.695 -3.814 6.332 1.00 0.00 C ATOM 97 O VAL A 6 3.873 -3.636 6.644 1.00 0.00 O ATOM 98 CB VAL A 6 2.290 -3.496 3.892 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.459 -4.746 3.657 1.00 0.00 C ATOM 100 CG2 VAL A 6 2.015 -2.455 2.813 1.00 0.00 C ATOM 0 H VAL A 6 3.006 -1.217 4.599 1.00 0.00 H new ATOM 0 HA VAL A 6 0.942 -2.912 5.483 1.00 0.00 H new ATOM 0 HB VAL A 6 3.344 -3.766 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.665 -5.138 2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.715 -5.499 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.400 -4.500 3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.216 -2.886 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.972 -2.143 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.660 -1.590 2.969 1.00 0.00 H new ATOM 110 N LEU A 7 1.945 -4.780 6.853 1.00 0.00 N ATOM 111 CA LEU A 7 2.474 -5.709 7.847 1.00 0.00 C ATOM 112 C LEU A 7 2.938 -7.007 7.189 1.00 0.00 C ATOM 113 O LEU A 7 3.801 -7.708 7.719 1.00 0.00 O ATOM 114 CB LEU A 7 1.419 -6.009 8.917 1.00 0.00 C ATOM 115 CG LEU A 7 0.082 -6.539 8.390 1.00 0.00 C ATOM 116 CD1 LEU A 7 0.223 -7.977 7.915 1.00 0.00 C ATOM 117 CD2 LEU A 7 -0.991 -6.434 9.464 1.00 0.00 C ATOM 0 H LEU A 7 0.969 -4.940 6.604 1.00 0.00 H new ATOM 0 HA LEU A 7 3.334 -5.238 8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.830 -6.739 9.614 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.231 -5.097 9.484 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.218 -5.927 7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.738 -8.334 7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.961 -8.025 7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.547 -8.604 8.745 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.935 -6.815 9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.695 -7.021 10.333 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.113 -5.391 9.755 1.00 0.00 H new ATOM 129 N PHE A 8 2.362 -7.321 6.031 1.00 0.00 N ATOM 130 CA PHE A 8 2.718 -8.533 5.300 1.00 0.00 C ATOM 131 C PHE A 8 3.377 -8.188 3.967 1.00 0.00 C ATOM 132 O PHE A 8 3.532 -7.016 3.625 1.00 0.00 O ATOM 133 CB PHE A 8 1.475 -9.394 5.058 1.00 0.00 C ATOM 134 CG PHE A 8 1.267 -10.458 6.098 1.00 0.00 C ATOM 135 CD1 PHE A 8 2.327 -11.236 6.537 1.00 0.00 C ATOM 136 CD2 PHE A 8 0.009 -10.682 6.636 1.00 0.00 C ATOM 137 CE1 PHE A 8 2.136 -12.216 7.492 1.00 0.00 C ATOM 138 CE2 PHE A 8 -0.187 -11.660 7.591 1.00 0.00 C ATOM 139 CZ PHE A 8 0.877 -12.429 8.020 1.00 0.00 C ATOM 0 H PHE A 8 1.646 -6.752 5.579 1.00 0.00 H new ATOM 0 HA PHE A 8 3.429 -9.096 5.904 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.597 -8.749 5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.556 -9.866 4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.313 -11.074 6.128 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.827 -10.085 6.304 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.970 -12.815 7.826 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.172 -11.824 8.002 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.725 -13.195 8.766 1.00 0.00 H new ATOM 149 N GLU A 9 3.767 -9.217 3.219 1.00 0.00 N ATOM 150 CA GLU A 9 4.413 -9.021 1.925 1.00 0.00 C ATOM 151 C GLU A 9 3.453 -9.328 0.779 1.00 0.00 C ATOM 152 O GLU A 9 2.500 -10.091 0.941 1.00 0.00 O ATOM 153 CB GLU A 9 5.656 -9.906 1.815 1.00 0.00 C ATOM 154 CG GLU A 9 6.813 -9.242 1.088 1.00 0.00 C ATOM 155 CD GLU A 9 8.020 -10.152 0.961 1.00 0.00 C ATOM 156 OE1 GLU A 9 7.951 -11.123 0.179 1.00 0.00 O ATOM 157 OE2 GLU A 9 9.033 -9.894 1.645 1.00 0.00 O ATOM 0 H GLU A 9 3.647 -10.194 3.487 1.00 0.00 H new ATOM 0 HA GLU A 9 4.710 -7.975 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.981 -10.188 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.391 -10.827 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.486 -8.937 0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.100 -8.336 1.621 1.00 0.00 H new ATOM 164 N TYR A 10 3.714 -8.730 -0.380 1.00 0.00 N ATOM 165 CA TYR A 10 2.878 -8.937 -1.558 1.00 0.00 C ATOM 166 C TYR A 10 3.741 -9.187 -2.793 1.00 0.00 C ATOM 167 O TYR A 10 4.809 -8.595 -2.945 1.00 0.00 O ATOM 168 CB TYR A 10 1.973 -7.722 -1.786 1.00 0.00 C ATOM 169 CG TYR A 10 1.165 -7.788 -3.064 1.00 0.00 C ATOM 170 CD1 TYR A 10 1.744 -7.487 -4.291 1.00 0.00 C ATOM 171 CD2 TYR A 10 -0.176 -8.149 -3.044 1.00 0.00 C ATOM 172 CE1 TYR A 10 1.010 -7.544 -5.460 1.00 0.00 C ATOM 173 CE2 TYR A 10 -0.917 -8.210 -4.209 1.00 0.00 C ATOM 174 CZ TYR A 10 -0.319 -7.906 -5.414 1.00 0.00 C ATOM 175 OH TYR A 10 -1.054 -7.965 -6.577 1.00 0.00 O ATOM 0 H TYR A 10 4.500 -8.097 -0.528 1.00 0.00 H new ATOM 0 HA TYR A 10 2.255 -9.815 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.291 -7.626 -0.941 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.588 -6.822 -1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.785 -7.204 -4.331 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.648 -8.386 -2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.475 -7.306 -6.405 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.958 -8.494 -4.176 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.547 -8.452 -7.260 1.00 0.00 H new ATOM 185 N ILE A 11 3.271 -10.068 -3.671 1.00 0.00 N ATOM 186 CA ILE A 11 4.001 -10.395 -4.891 1.00 0.00 C ATOM 187 C ILE A 11 3.182 -10.053 -6.135 1.00 0.00 C ATOM 188 O ILE A 11 2.215 -10.744 -6.457 1.00 0.00 O ATOM 189 CB ILE A 11 4.375 -11.890 -4.936 1.00 0.00 C ATOM 190 CG1 ILE A 11 5.020 -12.318 -3.617 1.00 0.00 C ATOM 191 CG2 ILE A 11 5.309 -12.168 -6.104 1.00 0.00 C ATOM 192 CD1 ILE A 11 4.017 -12.649 -2.533 1.00 0.00 C ATOM 0 H ILE A 11 2.389 -10.568 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 11 4.912 -9.796 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 11 3.464 -12.472 -5.078 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.650 -13.189 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.673 -11.519 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.564 -13.228 -6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.815 -11.898 -7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.219 -11.578 -5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.545 -12.944 -1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.403 -11.773 -2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.380 -13.469 -2.865 1.00 0.00 H new ATOM 204 N PRO A 12 3.558 -8.980 -6.856 1.00 0.00 N ATOM 205 CA PRO A 12 2.850 -8.557 -8.066 1.00 0.00 C ATOM 206 C PRO A 12 3.207 -9.413 -9.277 1.00 0.00 C ATOM 207 O PRO A 12 4.202 -10.139 -9.265 1.00 0.00 O ATOM 208 CB PRO A 12 3.335 -7.123 -8.265 1.00 0.00 C ATOM 209 CG PRO A 12 4.710 -7.112 -7.691 1.00 0.00 C ATOM 210 CD PRO A 12 4.698 -8.093 -6.547 1.00 0.00 C ATOM 0 HA PRO A 12 1.769 -8.650 -7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.343 -6.849 -9.320 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.686 -6.410 -7.756 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.447 -7.399 -8.441 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.979 -6.114 -7.345 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.633 -8.650 -6.487 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.565 -7.589 -5.589 1.00 0.00 H new ATOM 218 N GLN A 13 2.390 -9.322 -10.321 1.00 0.00 N ATOM 219 CA GLN A 13 2.621 -10.087 -11.541 1.00 0.00 C ATOM 220 C GLN A 13 1.694 -9.619 -12.661 1.00 0.00 C ATOM 221 O GLN A 13 1.260 -10.413 -13.495 1.00 0.00 O ATOM 222 CB GLN A 13 2.416 -11.582 -11.276 1.00 0.00 C ATOM 223 CG GLN A 13 3.686 -12.404 -11.424 1.00 0.00 C ATOM 224 CD GLN A 13 3.830 -13.011 -12.806 1.00 0.00 C ATOM 225 OE1 GLN A 13 3.030 -13.853 -13.214 1.00 0.00 O ATOM 226 NE2 GLN A 13 4.854 -12.584 -13.536 1.00 0.00 N ATOM 0 H GLN A 13 1.562 -8.726 -10.347 1.00 0.00 H new ATOM 0 HA GLN A 13 3.651 -9.921 -11.857 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.023 -11.714 -10.268 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.663 -11.965 -11.964 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.550 -11.772 -11.217 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.688 -13.200 -10.680 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.493 -11.884 -13.158 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.001 -12.956 -14.474 1.00 0.00 H new ATOM 235 N ASN A 14 1.396 -8.323 -12.672 1.00 0.00 N ATOM 236 CA ASN A 14 0.521 -7.749 -13.688 1.00 0.00 C ATOM 237 C ASN A 14 0.872 -6.286 -13.945 1.00 0.00 C ATOM 238 O ASN A 14 1.705 -5.705 -13.248 1.00 0.00 O ATOM 239 CB ASN A 14 -0.941 -7.865 -13.256 1.00 0.00 C ATOM 240 CG ASN A 14 -1.563 -9.186 -13.665 1.00 0.00 C ATOM 241 OD1 ASN A 14 -1.198 -10.243 -13.149 1.00 0.00 O ATOM 242 ND2 ASN A 14 -2.507 -9.133 -14.597 1.00 0.00 N ATOM 0 H ASN A 14 1.747 -7.651 -11.989 1.00 0.00 H new ATOM 0 HA ASN A 14 0.665 -8.307 -14.613 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.007 -7.756 -12.173 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.512 -7.047 -13.694 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.961 -9.990 -14.913 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.778 -8.235 -14.997 1.00 0.00 H new ATOM 249 N GLU A 15 0.231 -5.697 -14.949 1.00 0.00 N ATOM 250 CA GLU A 15 0.474 -4.301 -15.298 1.00 0.00 C ATOM 251 C GLU A 15 -0.007 -3.371 -14.189 1.00 0.00 C ATOM 252 O GLU A 15 0.558 -2.298 -13.977 1.00 0.00 O ATOM 253 CB GLU A 15 -0.227 -3.953 -16.612 1.00 0.00 C ATOM 254 CG GLU A 15 0.505 -4.458 -17.845 1.00 0.00 C ATOM 255 CD GLU A 15 -0.261 -4.193 -19.126 1.00 0.00 C ATOM 256 OE1 GLU A 15 -0.648 -3.028 -19.356 1.00 0.00 O ATOM 257 OE2 GLU A 15 -0.472 -5.150 -19.901 1.00 0.00 O ATOM 0 H GLU A 15 -0.461 -6.164 -15.535 1.00 0.00 H new ATOM 0 HA GLU A 15 1.548 -4.165 -15.420 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.233 -4.373 -16.600 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.334 -2.870 -16.681 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.482 -3.979 -17.905 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.680 -5.529 -17.746 1.00 0.00 H new ATOM 264 N ASP A 16 -1.054 -3.789 -13.485 1.00 0.00 N ATOM 265 CA ASP A 16 -1.612 -2.993 -12.398 1.00 0.00 C ATOM 266 C ASP A 16 -1.422 -3.695 -11.057 1.00 0.00 C ATOM 267 O ASP A 16 -2.387 -3.952 -10.335 1.00 0.00 O ATOM 268 CB ASP A 16 -3.098 -2.726 -12.645 1.00 0.00 C ATOM 269 CG ASP A 16 -3.518 -1.337 -12.205 1.00 0.00 C ATOM 270 OD1 ASP A 16 -3.094 -0.356 -12.851 1.00 0.00 O ATOM 271 OD2 ASP A 16 -4.270 -1.231 -11.214 1.00 0.00 O ATOM 0 H ASP A 16 -1.533 -4.675 -13.648 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.081 -2.042 -12.366 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.315 -2.849 -13.706 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.691 -3.468 -12.111 1.00 0.00 H new ATOM 276 N GLU A 17 -0.172 -4.003 -10.729 1.00 0.00 N ATOM 277 CA GLU A 17 0.145 -4.676 -9.475 1.00 0.00 C ATOM 278 C GLU A 17 1.458 -4.158 -8.897 1.00 0.00 C ATOM 279 O GLU A 17 2.505 -4.235 -9.541 1.00 0.00 O ATOM 280 CB GLU A 17 0.230 -6.188 -9.691 1.00 0.00 C ATOM 281 CG GLU A 17 -1.122 -6.881 -9.674 1.00 0.00 C ATOM 282 CD GLU A 17 -1.005 -8.391 -9.757 1.00 0.00 C ATOM 283 OE1 GLU A 17 -0.094 -8.952 -9.112 1.00 0.00 O ATOM 284 OE2 GLU A 17 -1.824 -9.012 -10.466 1.00 0.00 O ATOM 0 H GLU A 17 0.638 -3.797 -11.314 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.653 -4.462 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.717 -6.383 -10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.862 -6.623 -8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.653 -6.611 -8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.721 -6.520 -10.510 1.00 0.00 H new ATOM 291 N LEU A 18 1.395 -3.632 -7.679 1.00 0.00 N ATOM 292 CA LEU A 18 2.578 -3.102 -7.012 1.00 0.00 C ATOM 293 C LEU A 18 3.138 -4.113 -6.016 1.00 0.00 C ATOM 294 O LEU A 18 2.459 -5.065 -5.636 1.00 0.00 O ATOM 295 CB LEU A 18 2.242 -1.793 -6.294 1.00 0.00 C ATOM 296 CG LEU A 18 3.339 -0.728 -6.342 1.00 0.00 C ATOM 297 CD1 LEU A 18 3.314 0.005 -7.675 1.00 0.00 C ATOM 298 CD2 LEU A 18 3.180 0.251 -5.189 1.00 0.00 C ATOM 0 H LEU A 18 0.536 -3.561 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 18 3.336 -2.907 -7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.335 -1.378 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.018 -2.016 -5.251 1.00 0.00 H new ATOM 0 HG LEU A 18 4.305 -1.223 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.101 0.759 -7.691 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.477 -0.706 -8.485 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.346 0.489 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.968 1.002 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.208 0.740 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.249 -0.286 -4.243 1.00 0.00 H new ATOM 310 N GLU A 19 4.381 -3.898 -5.598 1.00 0.00 N ATOM 311 CA GLU A 19 5.030 -4.791 -4.646 1.00 0.00 C ATOM 312 C GLU A 19 5.115 -4.147 -3.266 1.00 0.00 C ATOM 313 O GLU A 19 5.904 -3.228 -3.046 1.00 0.00 O ATOM 314 CB GLU A 19 6.432 -5.162 -5.135 1.00 0.00 C ATOM 315 CG GLU A 19 6.981 -6.431 -4.503 1.00 0.00 C ATOM 316 CD GLU A 19 8.366 -6.783 -5.010 1.00 0.00 C ATOM 317 OE1 GLU A 19 8.488 -7.148 -6.198 1.00 0.00 O ATOM 318 OE2 GLU A 19 9.328 -6.693 -4.219 1.00 0.00 O ATOM 0 H GLU A 19 4.958 -3.114 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 19 4.428 -5.697 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.409 -5.286 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.112 -4.337 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.015 -6.308 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.302 -7.258 -4.709 1.00 0.00 H new ATOM 325 N LEU A 20 4.297 -4.636 -2.340 1.00 0.00 N ATOM 326 CA LEU A 20 4.280 -4.109 -0.980 1.00 0.00 C ATOM 327 C LEU A 20 5.245 -4.882 -0.088 1.00 0.00 C ATOM 328 O LEU A 20 5.093 -6.088 0.109 1.00 0.00 O ATOM 329 CB LEU A 20 2.866 -4.177 -0.402 1.00 0.00 C ATOM 330 CG LEU A 20 1.800 -3.434 -1.209 1.00 0.00 C ATOM 331 CD1 LEU A 20 0.460 -4.146 -1.106 1.00 0.00 C ATOM 332 CD2 LEU A 20 1.680 -1.995 -0.732 1.00 0.00 C ATOM 0 H LEU A 20 3.637 -5.396 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 20 4.600 -3.068 -1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.574 -5.224 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.883 -3.770 0.609 1.00 0.00 H new ATOM 0 HG LEU A 20 2.103 -3.425 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.286 -3.603 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.556 -5.160 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.149 -4.186 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.917 -1.480 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.400 -1.983 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.637 -1.489 -0.858 1.00 0.00 H new ATOM 344 N LYS A 21 6.237 -4.181 0.450 1.00 0.00 N ATOM 345 CA LYS A 21 7.227 -4.804 1.321 1.00 0.00 C ATOM 346 C LYS A 21 6.877 -4.584 2.789 1.00 0.00 C ATOM 347 O LYS A 21 6.458 -3.496 3.182 1.00 0.00 O ATOM 348 CB LYS A 21 8.619 -4.242 1.029 1.00 0.00 C ATOM 349 CG LYS A 21 9.330 -4.946 -0.117 1.00 0.00 C ATOM 350 CD LYS A 21 10.808 -5.140 0.179 1.00 0.00 C ATOM 351 CE LYS A 21 11.646 -5.042 -1.085 1.00 0.00 C ATOM 352 NZ LYS A 21 12.954 -5.738 -0.940 1.00 0.00 N ATOM 0 H LYS A 21 6.377 -3.182 0.299 1.00 0.00 H new ATOM 0 HA LYS A 21 7.225 -5.876 1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.532 -3.181 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.230 -4.321 1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.864 -5.915 -0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.214 -4.363 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.139 -4.388 0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.962 -6.113 0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.095 -5.475 -1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.818 -3.993 -1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.495 -5.648 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.491 -5.309 -0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.791 -6.745 -0.735 1.00 0.00 H new ATOM 366 N VAL A 22 7.053 -5.626 3.595 1.00 0.00 N ATOM 367 CA VAL A 22 6.757 -5.548 5.020 1.00 0.00 C ATOM 368 C VAL A 22 7.666 -4.539 5.712 1.00 0.00 C ATOM 369 O VAL A 22 8.887 -4.587 5.566 1.00 0.00 O ATOM 370 CB VAL A 22 6.920 -6.919 5.704 1.00 0.00 C ATOM 371 CG1 VAL A 22 6.397 -6.868 7.132 1.00 0.00 C ATOM 372 CG2 VAL A 22 6.213 -8.007 4.906 1.00 0.00 C ATOM 0 H VAL A 22 7.399 -6.534 3.285 1.00 0.00 H new ATOM 0 HA VAL A 22 5.720 -5.226 5.111 1.00 0.00 H new ATOM 0 HB VAL A 22 7.982 -7.162 5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.520 -7.845 7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.955 -6.122 7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.340 -6.601 7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.341 -8.967 5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.151 -7.774 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.641 -8.060 3.905 1.00 0.00 H new ATOM 382 N GLY A 23 7.063 -3.626 6.466 1.00 0.00 N ATOM 383 CA GLY A 23 7.838 -2.621 7.169 1.00 0.00 C ATOM 384 C GLY A 23 7.995 -1.335 6.377 1.00 0.00 C ATOM 385 O GLY A 23 8.540 -0.354 6.883 1.00 0.00 O ATOM 0 H GLY A 23 6.054 -3.564 6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.357 -2.399 8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.825 -3.024 7.397 1.00 0.00 H new ATOM 389 N ASP A 24 7.523 -1.335 5.132 1.00 0.00 N ATOM 390 CA ASP A 24 7.625 -0.155 4.280 1.00 0.00 C ATOM 391 C ASP A 24 6.321 0.638 4.281 1.00 0.00 C ATOM 392 O ASP A 24 5.247 0.085 4.516 1.00 0.00 O ATOM 393 CB ASP A 24 7.986 -0.563 2.850 1.00 0.00 C ATOM 394 CG ASP A 24 9.463 -0.862 2.689 1.00 0.00 C ATOM 395 OD1 ASP A 24 10.270 -0.295 3.456 1.00 0.00 O ATOM 396 OD2 ASP A 24 9.813 -1.662 1.797 1.00 0.00 O ATOM 0 H ASP A 24 7.068 -2.136 4.693 1.00 0.00 H new ATOM 0 HA ASP A 24 8.414 0.482 4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.407 -1.443 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.703 0.236 2.165 1.00 0.00 H new ATOM 401 N ILE A 25 6.425 1.937 4.015 1.00 0.00 N ATOM 402 CA ILE A 25 5.255 2.806 3.983 1.00 0.00 C ATOM 403 C ILE A 25 4.900 3.195 2.552 1.00 0.00 C ATOM 404 O ILE A 25 5.782 3.412 1.721 1.00 0.00 O ATOM 405 CB ILE A 25 5.478 4.091 4.806 1.00 0.00 C ATOM 406 CG1 ILE A 25 6.149 3.761 6.143 1.00 0.00 C ATOM 407 CG2 ILE A 25 4.154 4.810 5.030 1.00 0.00 C ATOM 408 CD1 ILE A 25 6.239 4.942 7.088 1.00 0.00 C ATOM 0 H ILE A 25 7.307 2.410 3.819 1.00 0.00 H new ATOM 0 HA ILE A 25 4.434 2.240 4.423 1.00 0.00 H new ATOM 0 HB ILE A 25 6.139 4.753 4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.594 2.959 6.630 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.153 3.383 5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.326 5.715 5.612 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.716 5.075 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.471 4.155 5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.725 4.632 8.013 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.820 5.738 6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.236 5.307 7.310 1.00 0.00 H new ATOM 420 N ILE A 26 3.605 3.282 2.270 1.00 0.00 N ATOM 421 CA ILE A 26 3.135 3.646 0.939 1.00 0.00 C ATOM 422 C ILE A 26 2.096 4.760 1.010 1.00 0.00 C ATOM 423 O ILE A 26 1.157 4.698 1.803 1.00 0.00 O ATOM 424 CB ILE A 26 2.525 2.436 0.207 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.473 1.236 0.280 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.221 2.792 -1.241 1.00 0.00 C ATOM 427 CD1 ILE A 26 3.075 0.216 1.324 1.00 0.00 C ATOM 0 H ILE A 26 2.862 3.105 2.946 1.00 0.00 H new ATOM 0 HA ILE A 26 4.004 3.997 0.382 1.00 0.00 H new ATOM 0 HB ILE A 26 1.590 2.166 0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.508 0.751 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.481 1.591 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.790 1.927 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.512 3.620 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.142 3.085 -1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.790 -0.606 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.067 0.686 2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.080 -0.167 1.097 1.00 0.00 H new ATOM 439 N ASP A 27 2.272 5.780 0.175 1.00 0.00 N ATOM 440 CA ASP A 27 1.349 6.909 0.143 1.00 0.00 C ATOM 441 C ASP A 27 0.184 6.632 -0.802 1.00 0.00 C ATOM 442 O ASP A 27 0.385 6.322 -1.976 1.00 0.00 O ATOM 443 CB ASP A 27 2.080 8.181 -0.289 1.00 0.00 C ATOM 444 CG ASP A 27 2.727 8.901 0.878 1.00 0.00 C ATOM 445 OD1 ASP A 27 2.003 9.596 1.622 1.00 0.00 O ATOM 446 OD2 ASP A 27 3.958 8.770 1.048 1.00 0.00 O ATOM 0 H ASP A 27 3.045 5.848 -0.488 1.00 0.00 H new ATOM 0 HA ASP A 27 0.953 7.051 1.148 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.844 7.926 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.376 8.852 -0.781 1.00 0.00 H new ATOM 451 N ILE A 28 -1.033 6.747 -0.281 1.00 0.00 N ATOM 452 CA ILE A 28 -2.230 6.509 -1.078 1.00 0.00 C ATOM 453 C ILE A 28 -2.477 7.655 -2.054 1.00 0.00 C ATOM 454 O ILE A 28 -2.483 8.823 -1.666 1.00 0.00 O ATOM 455 CB ILE A 28 -3.474 6.334 -0.186 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.189 5.332 0.935 1.00 0.00 C ATOM 457 CG2 ILE A 28 -4.664 5.882 -1.019 1.00 0.00 C ATOM 458 CD1 ILE A 28 -2.772 5.984 2.236 1.00 0.00 C ATOM 0 H ILE A 28 -1.216 7.003 0.689 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.060 5.589 -1.636 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.717 7.296 0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.081 4.730 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.403 4.650 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.535 5.763 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.878 6.629 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.433 4.930 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.586 5.215 2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.862 6.563 2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.567 6.644 2.583 1.00 0.00 H new ATOM 470 N ASN A 29 -2.680 7.313 -3.322 1.00 0.00 N ATOM 471 CA ASN A 29 -2.929 8.314 -4.352 1.00 0.00 C ATOM 472 C ASN A 29 -4.424 8.481 -4.599 1.00 0.00 C ATOM 473 O ASN A 29 -4.912 9.595 -4.791 1.00 0.00 O ATOM 474 CB ASN A 29 -2.226 7.922 -5.654 1.00 0.00 C ATOM 475 CG ASN A 29 -2.036 9.102 -6.586 1.00 0.00 C ATOM 476 OD1 ASN A 29 -2.918 9.430 -7.380 1.00 0.00 O ATOM 477 ND2 ASN A 29 -0.879 9.749 -6.495 1.00 0.00 N ATOM 0 H ASN A 29 -2.677 6.351 -3.661 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.529 9.266 -4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.254 7.486 -5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.808 7.152 -6.161 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.695 10.551 -7.097 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.175 9.443 -5.823 1.00 0.00 H new ATOM 484 N GLU A 30 -5.148 7.366 -4.592 1.00 0.00 N ATOM 485 CA GLU A 30 -6.589 7.388 -4.814 1.00 0.00 C ATOM 486 C GLU A 30 -7.215 6.045 -4.451 1.00 0.00 C ATOM 487 O GLU A 30 -6.730 4.991 -4.862 1.00 0.00 O ATOM 488 CB GLU A 30 -6.895 7.733 -6.274 1.00 0.00 C ATOM 489 CG GLU A 30 -7.460 9.131 -6.462 1.00 0.00 C ATOM 490 CD GLU A 30 -7.140 9.710 -7.826 1.00 0.00 C ATOM 491 OE1 GLU A 30 -6.008 9.499 -8.310 1.00 0.00 O ATOM 492 OE2 GLU A 30 -8.021 10.374 -8.411 1.00 0.00 O ATOM 0 H GLU A 30 -4.760 6.436 -4.435 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.021 8.154 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.981 7.637 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.605 7.007 -6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.541 9.103 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.060 9.788 -5.690 1.00 0.00 H new ATOM 499 N GLU A 31 -8.295 6.091 -3.679 1.00 0.00 N ATOM 500 CA GLU A 31 -8.988 4.878 -3.261 1.00 0.00 C ATOM 501 C GLU A 31 -9.817 4.304 -4.405 1.00 0.00 C ATOM 502 O GLU A 31 -10.753 4.942 -4.888 1.00 0.00 O ATOM 503 CB GLU A 31 -9.889 5.169 -2.059 1.00 0.00 C ATOM 504 CG GLU A 31 -9.936 4.036 -1.047 1.00 0.00 C ATOM 505 CD GLU A 31 -10.361 4.503 0.332 1.00 0.00 C ATOM 506 OE1 GLU A 31 -11.579 4.507 0.608 1.00 0.00 O ATOM 507 OE2 GLU A 31 -9.475 4.865 1.135 1.00 0.00 O ATOM 0 H GLU A 31 -8.710 6.955 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.238 4.141 -2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.538 6.074 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.900 5.371 -2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.628 3.270 -1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.952 3.571 -0.982 1.00 0.00 H new ATOM 514 N VAL A 32 -9.467 3.096 -4.835 1.00 0.00 N ATOM 515 CA VAL A 32 -10.179 2.437 -5.923 1.00 0.00 C ATOM 516 C VAL A 32 -11.617 2.121 -5.527 1.00 0.00 C ATOM 517 O VAL A 32 -12.562 2.687 -6.077 1.00 0.00 O ATOM 518 CB VAL A 32 -9.478 1.133 -6.346 1.00 0.00 C ATOM 519 CG1 VAL A 32 -10.115 0.568 -7.606 1.00 0.00 C ATOM 520 CG2 VAL A 32 -7.989 1.370 -6.551 1.00 0.00 C ATOM 0 H VAL A 32 -8.695 2.554 -4.447 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.180 3.130 -6.765 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.599 0.401 -5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.606 -0.353 -7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.168 0.358 -7.419 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.028 1.294 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.510 0.438 -6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.844 2.118 -7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.545 1.724 -5.620 1.00 0.00 H new ATOM 530 N GLU A 33 -11.777 1.214 -4.568 1.00 0.00 N ATOM 531 CA GLU A 33 -13.101 0.824 -4.099 1.00 0.00 C ATOM 532 C GLU A 33 -13.014 0.123 -2.746 1.00 0.00 C ATOM 533 O GLU A 33 -11.933 -0.006 -2.171 1.00 0.00 O ATOM 534 CB GLU A 33 -13.776 -0.095 -5.119 1.00 0.00 C ATOM 535 CG GLU A 33 -12.962 -1.334 -5.452 1.00 0.00 C ATOM 536 CD GLU A 33 -13.365 -1.957 -6.775 1.00 0.00 C ATOM 537 OE1 GLU A 33 -14.339 -2.739 -6.791 1.00 0.00 O ATOM 538 OE2 GLU A 33 -12.706 -1.663 -7.794 1.00 0.00 O ATOM 0 H GLU A 33 -11.006 0.736 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.699 1.728 -3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.748 -0.402 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.960 0.466 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.905 -1.072 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.083 -2.069 -4.656 1.00 0.00 H new ATOM 545 N GLU A 34 -14.159 -0.327 -2.244 1.00 0.00 N ATOM 546 CA GLU A 34 -14.211 -1.015 -0.960 1.00 0.00 C ATOM 547 C GLU A 34 -13.532 -2.378 -1.045 1.00 0.00 C ATOM 548 O GLU A 34 -14.198 -3.412 -1.112 1.00 0.00 O ATOM 549 CB GLU A 34 -15.663 -1.182 -0.506 1.00 0.00 C ATOM 550 CG GLU A 34 -16.445 0.121 -0.477 1.00 0.00 C ATOM 551 CD GLU A 34 -17.928 -0.096 -0.247 1.00 0.00 C ATOM 552 OE1 GLU A 34 -18.286 -1.077 0.438 1.00 0.00 O ATOM 553 OE2 GLU A 34 -18.732 0.716 -0.753 1.00 0.00 O ATOM 0 H GLU A 34 -15.063 -0.228 -2.707 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.676 -0.409 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -16.165 -1.883 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.675 -1.625 0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.048 0.761 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.300 0.649 -1.420 1.00 0.00 H new ATOM 560 N GLY A 35 -12.203 -2.373 -1.042 1.00 0.00 N ATOM 561 CA GLY A 35 -11.458 -3.615 -1.119 1.00 0.00 C ATOM 562 C GLY A 35 -10.062 -3.421 -1.679 1.00 0.00 C ATOM 563 O GLY A 35 -9.097 -3.987 -1.167 1.00 0.00 O ATOM 0 H GLY A 35 -11.629 -1.531 -0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.389 -4.056 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.002 -4.323 -1.744 1.00 0.00 H new ATOM 567 N TRP A 36 -9.956 -2.619 -2.734 1.00 0.00 N ATOM 568 CA TRP A 36 -8.668 -2.352 -3.364 1.00 0.00 C ATOM 569 C TRP A 36 -8.224 -0.915 -3.108 1.00 0.00 C ATOM 570 O TRP A 36 -9.003 0.024 -3.272 1.00 0.00 O ATOM 571 CB TRP A 36 -8.749 -2.612 -4.869 1.00 0.00 C ATOM 572 CG TRP A 36 -9.358 -3.937 -5.212 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.675 -4.194 -5.462 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.673 -5.188 -5.343 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.852 -5.528 -5.741 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.637 -6.159 -5.674 1.00 0.00 C ATOM 577 CE3 TRP A 36 -7.338 -5.582 -5.213 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -9.308 -7.497 -5.876 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -7.012 -6.910 -5.415 1.00 0.00 C ATOM 580 CH2 TRP A 36 -7.994 -7.854 -5.743 1.00 0.00 C ATOM 0 H TRP A 36 -10.746 -2.143 -3.170 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.931 -3.025 -2.925 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.334 -1.820 -5.336 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.746 -2.560 -5.294 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -11.463 -3.456 -5.443 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.742 -5.975 -5.962 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.575 -4.861 -4.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -10.063 -8.227 -6.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.984 -7.225 -5.318 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.708 -8.884 -5.894 1.00 0.00 H new ATOM 591 N TRP A 37 -6.968 -0.752 -2.706 1.00 0.00 N ATOM 592 CA TRP A 37 -6.420 0.571 -2.428 1.00 0.00 C ATOM 593 C TRP A 37 -5.221 0.862 -3.326 1.00 0.00 C ATOM 594 O TRP A 37 -4.626 -0.051 -3.897 1.00 0.00 O ATOM 595 CB TRP A 37 -6.009 0.677 -0.958 1.00 0.00 C ATOM 596 CG TRP A 37 -7.093 1.217 -0.076 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.440 1.109 -0.272 1.00 0.00 C ATOM 598 CD2 TRP A 37 -6.922 1.952 1.141 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.116 1.731 0.749 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.207 2.256 1.629 1.00 0.00 C ATOM 601 CE3 TRP A 37 -5.807 2.382 1.866 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -8.406 2.970 2.808 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.006 3.091 3.037 1.00 0.00 C ATOM 604 CH2 TRP A 37 -7.297 3.378 3.498 1.00 0.00 C ATOM 0 H TRP A 37 -6.310 -1.519 -2.565 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.195 1.309 -2.635 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.715 -0.309 -0.598 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.132 1.320 -0.879 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.906 0.608 -1.108 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.130 1.792 0.838 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -4.808 2.165 1.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.400 3.194 3.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.152 3.429 3.605 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.420 3.933 4.417 1.00 0.00 H new ATOM 615 N SER A 38 -4.874 2.139 -3.445 1.00 0.00 N ATOM 616 CA SER A 38 -3.746 2.550 -4.274 1.00 0.00 C ATOM 617 C SER A 38 -2.592 3.054 -3.414 1.00 0.00 C ATOM 618 O SER A 38 -2.791 3.469 -2.272 1.00 0.00 O ATOM 619 CB SER A 38 -4.179 3.639 -5.257 1.00 0.00 C ATOM 620 OG SER A 38 -3.244 3.776 -6.312 1.00 0.00 O ATOM 0 H SER A 38 -5.357 2.907 -2.979 1.00 0.00 H new ATOM 0 HA SER A 38 -3.403 1.680 -4.834 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.160 3.395 -5.666 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.280 4.588 -4.731 1.00 0.00 H new ATOM 0 HG SER A 38 -2.880 2.896 -6.543 1.00 0.00 H new ATOM 626 N GLY A 39 -1.386 3.017 -3.970 1.00 0.00 N ATOM 627 CA GLY A 39 -0.218 3.473 -3.240 1.00 0.00 C ATOM 628 C GLY A 39 0.922 3.867 -4.157 1.00 0.00 C ATOM 629 O GLY A 39 1.155 3.224 -5.181 1.00 0.00 O ATOM 0 H GLY A 39 -1.196 2.679 -4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.492 4.326 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.117 2.683 -2.567 1.00 0.00 H new ATOM 633 N THR A 40 1.636 4.927 -3.791 1.00 0.00 N ATOM 634 CA THR A 40 2.759 5.406 -4.588 1.00 0.00 C ATOM 635 C THR A 40 4.079 5.184 -3.859 1.00 0.00 C ATOM 636 O THR A 40 4.184 5.426 -2.656 1.00 0.00 O ATOM 637 CB THR A 40 2.585 6.891 -4.911 1.00 0.00 C ATOM 638 OG1 THR A 40 1.297 7.142 -5.443 1.00 0.00 O ATOM 639 CG2 THR A 40 3.602 7.410 -5.905 1.00 0.00 C ATOM 0 H THR A 40 1.456 5.471 -2.947 1.00 0.00 H new ATOM 0 HA THR A 40 2.780 4.838 -5.518 1.00 0.00 H new ATOM 0 HB THR A 40 2.728 7.411 -3.964 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.263 8.053 -5.803 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.422 8.469 -6.090 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.606 7.277 -5.501 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.511 6.858 -6.840 1.00 0.00 H new ATOM 647 N LEU A 41 5.085 4.721 -4.594 1.00 0.00 N ATOM 648 CA LEU A 41 6.399 4.466 -4.018 1.00 0.00 C ATOM 649 C LEU A 41 7.488 4.568 -5.081 1.00 0.00 C ATOM 650 O LEU A 41 7.483 3.825 -6.063 1.00 0.00 O ATOM 651 CB LEU A 41 6.434 3.082 -3.366 1.00 0.00 C ATOM 652 CG LEU A 41 7.240 2.997 -2.068 1.00 0.00 C ATOM 653 CD1 LEU A 41 7.117 1.612 -1.453 1.00 0.00 C ATOM 654 CD2 LEU A 41 8.699 3.342 -2.326 1.00 0.00 C ATOM 0 H LEU A 41 5.014 4.515 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 41 6.587 5.223 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.411 2.768 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.849 2.371 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 41 6.835 3.721 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.697 1.571 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.070 1.403 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.496 0.868 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.259 3.277 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.116 2.641 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.769 4.355 -2.721 1.00 0.00 H new ATOM 666 N ASN A 42 8.420 5.494 -4.879 1.00 0.00 N ATOM 667 CA ASN A 42 9.516 5.694 -5.821 1.00 0.00 C ATOM 668 C ASN A 42 8.987 6.125 -7.186 1.00 0.00 C ATOM 669 O ASN A 42 9.465 5.664 -8.223 1.00 0.00 O ATOM 670 CB ASN A 42 10.339 4.412 -5.960 1.00 0.00 C ATOM 671 CG ASN A 42 11.814 4.691 -6.171 1.00 0.00 C ATOM 672 OD1 ASN A 42 12.202 5.345 -7.140 1.00 0.00 O ATOM 673 ND2 ASN A 42 12.647 4.195 -5.263 1.00 0.00 N ATOM 0 H ASN A 42 8.438 6.117 -4.072 1.00 0.00 H new ATOM 0 HA ASN A 42 10.156 6.486 -5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.212 3.803 -5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.959 3.829 -6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.651 4.350 -5.353 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.283 3.659 -4.476 1.00 0.00 H new ATOM 680 N ASN A 43 7.999 7.014 -7.178 1.00 0.00 N ATOM 681 CA ASN A 43 7.404 7.508 -8.414 1.00 0.00 C ATOM 682 C ASN A 43 6.757 6.371 -9.200 1.00 0.00 C ATOM 683 O ASN A 43 6.736 6.387 -10.430 1.00 0.00 O ATOM 684 CB ASN A 43 8.465 8.204 -9.272 1.00 0.00 C ATOM 685 CG ASN A 43 8.133 9.659 -9.537 1.00 0.00 C ATOM 686 OD1 ASN A 43 7.076 9.978 -10.082 1.00 0.00 O ATOM 687 ND2 ASN A 43 9.036 10.552 -9.150 1.00 0.00 N ATOM 0 H ASN A 43 7.593 7.407 -6.329 1.00 0.00 H new ATOM 0 HA ASN A 43 6.629 8.229 -8.154 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.431 8.140 -8.772 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.562 7.678 -10.222 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.867 11.547 -9.301 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.899 10.244 -8.702 1.00 0.00 H new ATOM 694 N LYS A 44 6.232 5.386 -8.479 1.00 0.00 N ATOM 695 CA LYS A 44 5.584 4.240 -9.108 1.00 0.00 C ATOM 696 C LYS A 44 4.188 4.021 -8.533 1.00 0.00 C ATOM 697 O LYS A 44 4.013 3.931 -7.317 1.00 0.00 O ATOM 698 CB LYS A 44 6.435 2.982 -8.919 1.00 0.00 C ATOM 699 CG LYS A 44 7.093 2.495 -10.201 1.00 0.00 C ATOM 700 CD LYS A 44 6.584 1.120 -10.607 1.00 0.00 C ATOM 701 CE LYS A 44 7.594 0.033 -10.278 1.00 0.00 C ATOM 702 NZ LYS A 44 8.699 -0.019 -11.275 1.00 0.00 N ATOM 0 H LYS A 44 6.242 5.358 -7.459 1.00 0.00 H new ATOM 0 HA LYS A 44 5.487 4.446 -10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.208 3.184 -8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.808 2.186 -8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.898 3.207 -11.003 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.174 2.457 -10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.645 0.913 -10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.373 1.110 -11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.009 0.211 -9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.090 -0.933 -10.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.366 -0.773 -11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.307 -0.214 -12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.197 0.894 -11.289 1.00 0.00 H new ATOM 716 N LEU A 45 3.196 3.936 -9.414 1.00 0.00 N ATOM 717 CA LEU A 45 1.815 3.727 -8.994 1.00 0.00 C ATOM 718 C LEU A 45 1.366 2.300 -9.290 1.00 0.00 C ATOM 719 O LEU A 45 1.784 1.700 -10.281 1.00 0.00 O ATOM 720 CB LEU A 45 0.890 4.725 -9.696 1.00 0.00 C ATOM 721 CG LEU A 45 0.456 5.917 -8.841 1.00 0.00 C ATOM 722 CD1 LEU A 45 0.081 7.098 -9.722 1.00 0.00 C ATOM 723 CD2 LEU A 45 -0.708 5.530 -7.941 1.00 0.00 C ATOM 0 H LEU A 45 3.323 4.009 -10.423 1.00 0.00 H new ATOM 0 HA LEU A 45 1.760 3.888 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.394 5.100 -10.586 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.001 4.196 -10.034 1.00 0.00 H new ATOM 0 HG LEU A 45 1.295 6.213 -8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.225 7.936 -9.096 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.941 7.390 -10.324 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.742 6.816 -10.378 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.004 6.389 -7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.550 5.208 -8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.405 4.715 -7.284 1.00 0.00 H new ATOM 735 N GLY A 46 0.512 1.763 -8.426 1.00 0.00 N ATOM 736 CA GLY A 46 0.019 0.411 -8.613 1.00 0.00 C ATOM 737 C GLY A 46 -1.244 0.139 -7.820 1.00 0.00 C ATOM 738 O GLY A 46 -1.814 1.049 -7.217 1.00 0.00 O ATOM 0 H GLY A 46 0.152 2.240 -7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.177 0.242 -9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.791 -0.298 -8.315 1.00 0.00 H new ATOM 742 N LEU A 47 -1.684 -1.115 -7.823 1.00 0.00 N ATOM 743 CA LEU A 47 -2.889 -1.504 -7.100 1.00 0.00 C ATOM 744 C LEU A 47 -2.667 -2.802 -6.330 1.00 0.00 C ATOM 745 O LEU A 47 -1.896 -3.663 -6.754 1.00 0.00 O ATOM 746 CB LEU A 47 -4.061 -1.666 -8.072 1.00 0.00 C ATOM 747 CG LEU A 47 -4.964 -0.439 -8.209 1.00 0.00 C ATOM 748 CD1 LEU A 47 -4.317 0.605 -9.109 1.00 0.00 C ATOM 749 CD2 LEU A 47 -6.327 -0.842 -8.751 1.00 0.00 C ATOM 0 H LEU A 47 -1.224 -1.879 -8.318 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.125 -0.716 -6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.665 -1.918 -9.056 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.669 -2.511 -7.747 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.101 0.000 -7.221 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.975 1.470 -9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.364 0.915 -8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.149 0.179 -10.098 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.958 0.042 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.207 -1.305 -9.730 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.794 -1.552 -8.069 1.00 0.00 H new ATOM 761 N PHE A 48 -3.351 -2.937 -5.198 1.00 0.00 N ATOM 762 CA PHE A 48 -3.232 -4.132 -4.369 1.00 0.00 C ATOM 763 C PHE A 48 -4.364 -4.198 -3.345 1.00 0.00 C ATOM 764 O PHE A 48 -4.969 -3.179 -3.011 1.00 0.00 O ATOM 765 CB PHE A 48 -1.876 -4.165 -3.655 1.00 0.00 C ATOM 766 CG PHE A 48 -1.326 -2.806 -3.320 1.00 0.00 C ATOM 767 CD1 PHE A 48 -2.100 -1.876 -2.645 1.00 0.00 C ATOM 768 CD2 PHE A 48 -0.033 -2.461 -3.680 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.595 -0.627 -2.336 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.477 -1.213 -3.375 1.00 0.00 C ATOM 771 CZ PHE A 48 -0.305 -0.295 -2.702 1.00 0.00 C ATOM 0 H PHE A 48 -3.994 -2.234 -4.834 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.304 -5.001 -5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.975 -4.742 -2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.158 -4.691 -4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.109 -2.130 -2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.583 -3.176 -4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.208 0.089 -1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.486 -0.956 -3.663 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.091 0.681 -2.462 1.00 0.00 H new ATOM 781 N PRO A 49 -4.668 -5.404 -2.837 1.00 0.00 N ATOM 782 CA PRO A 49 -5.737 -5.601 -1.851 1.00 0.00 C ATOM 783 C PRO A 49 -5.515 -4.785 -0.581 1.00 0.00 C ATOM 784 O PRO A 49 -4.400 -4.713 -0.063 1.00 0.00 O ATOM 785 CB PRO A 49 -5.676 -7.101 -1.540 1.00 0.00 C ATOM 786 CG PRO A 49 -4.971 -7.709 -2.704 1.00 0.00 C ATOM 787 CD PRO A 49 -4.000 -6.670 -3.185 1.00 0.00 C ATOM 0 HA PRO A 49 -6.703 -5.274 -2.235 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.138 -7.290 -0.611 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.675 -7.520 -1.421 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.453 -8.623 -2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.676 -7.979 -3.490 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.032 -6.764 -2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.821 -6.750 -4.257 1.00 0.00 H new ATOM 795 N SER A 50 -6.586 -4.175 -0.085 1.00 0.00 N ATOM 796 CA SER A 50 -6.520 -3.362 1.125 1.00 0.00 C ATOM 797 C SER A 50 -6.176 -4.212 2.347 1.00 0.00 C ATOM 798 O SER A 50 -5.738 -3.689 3.372 1.00 0.00 O ATOM 799 CB SER A 50 -7.851 -2.642 1.352 1.00 0.00 C ATOM 800 OG SER A 50 -7.826 -1.337 0.801 1.00 0.00 O ATOM 0 H SER A 50 -7.514 -4.228 -0.504 1.00 0.00 H new ATOM 0 HA SER A 50 -5.729 -2.625 0.989 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.660 -3.216 0.900 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.059 -2.585 2.420 1.00 0.00 H new ATOM 0 HG SER A 50 -8.734 -1.072 0.546 1.00 0.00 H new ATOM 806 N ASN A 51 -6.384 -5.521 2.238 1.00 0.00 N ATOM 807 CA ASN A 51 -6.105 -6.433 3.342 1.00 0.00 C ATOM 808 C ASN A 51 -4.623 -6.420 3.715 1.00 0.00 C ATOM 809 O ASN A 51 -4.250 -6.855 4.805 1.00 0.00 O ATOM 810 CB ASN A 51 -6.537 -7.854 2.976 1.00 0.00 C ATOM 811 CG ASN A 51 -6.350 -8.830 4.122 1.00 0.00 C ATOM 812 OD1 ASN A 51 -5.664 -9.842 3.984 1.00 0.00 O ATOM 813 ND2 ASN A 51 -6.962 -8.529 5.261 1.00 0.00 N ATOM 0 H ASN A 51 -6.744 -5.973 1.398 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.675 -6.093 4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.585 -7.846 2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.962 -8.195 2.115 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.873 -9.148 6.067 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.521 -7.679 5.330 1.00 0.00 H new ATOM 820 N PHE A 52 -3.781 -5.920 2.815 1.00 0.00 N ATOM 821 CA PHE A 52 -2.347 -5.858 3.072 1.00 0.00 C ATOM 822 C PHE A 52 -2.001 -4.621 3.904 1.00 0.00 C ATOM 823 O PHE A 52 -2.066 -4.673 5.131 1.00 0.00 O ATOM 824 CB PHE A 52 -1.569 -5.868 1.753 1.00 0.00 C ATOM 825 CG PHE A 52 -1.596 -7.199 1.059 1.00 0.00 C ATOM 826 CD1 PHE A 52 -2.787 -7.718 0.578 1.00 0.00 C ATOM 827 CD2 PHE A 52 -0.433 -7.933 0.891 1.00 0.00 C ATOM 828 CE1 PHE A 52 -2.818 -8.944 -0.058 1.00 0.00 C ATOM 829 CE2 PHE A 52 -0.458 -9.160 0.255 1.00 0.00 C ATOM 830 CZ PHE A 52 -1.652 -9.666 -0.220 1.00 0.00 C ATOM 0 H PHE A 52 -4.065 -5.554 1.906 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.058 -6.739 3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.984 -5.111 1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.534 -5.588 1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.702 -7.158 0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.503 -7.542 1.261 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.753 -9.337 -0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.455 -9.722 0.130 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.674 -10.625 -0.717 1.00 0.00 H new ATOM 840 N VAL A 53 -1.635 -3.520 3.228 1.00 0.00 N ATOM 841 CA VAL A 53 -1.282 -2.248 3.885 1.00 0.00 C ATOM 842 C VAL A 53 -1.756 -2.175 5.336 1.00 0.00 C ATOM 843 O VAL A 53 -2.829 -2.673 5.675 1.00 0.00 O ATOM 844 CB VAL A 53 -1.871 -1.051 3.116 1.00 0.00 C ATOM 845 CG1 VAL A 53 -1.101 -0.813 1.826 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.348 -1.276 2.830 1.00 0.00 C ATOM 0 H VAL A 53 -1.575 -3.485 2.210 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.193 -2.204 3.880 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.776 -0.161 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.532 0.037 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.057 -0.604 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.162 -1.701 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.748 -0.420 2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.469 -2.177 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.887 -1.392 3.770 1.00 0.00 H new ATOM 856 N LYS A 54 -0.967 -1.527 6.187 1.00 0.00 N ATOM 857 CA LYS A 54 -1.338 -1.386 7.589 1.00 0.00 C ATOM 858 C LYS A 54 -1.146 0.047 8.076 1.00 0.00 C ATOM 859 O LYS A 54 -0.029 0.559 8.110 1.00 0.00 O ATOM 860 CB LYS A 54 -0.542 -2.356 8.465 1.00 0.00 C ATOM 861 CG LYS A 54 -1.400 -3.103 9.474 1.00 0.00 C ATOM 862 CD LYS A 54 -0.673 -3.289 10.797 1.00 0.00 C ATOM 863 CE LYS A 54 -0.485 -1.965 11.520 1.00 0.00 C ATOM 864 NZ LYS A 54 -1.628 -1.657 12.424 1.00 0.00 N ATOM 0 H LYS A 54 -0.078 -1.096 5.934 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.397 -1.631 7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.035 -3.078 7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.232 -1.802 8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.327 -2.554 9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.675 -4.077 9.069 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.237 -3.974 11.430 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.299 -3.748 10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.438 -1.996 12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.375 -1.165 10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.942 -0.678 12.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.413 -2.309 12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.328 -1.768 13.413 1.00 0.00 H new ATOM 878 N GLU A 55 -2.247 0.686 8.458 1.00 0.00 N ATOM 879 CA GLU A 55 -2.205 2.059 8.947 1.00 0.00 C ATOM 880 C GLU A 55 -1.549 2.129 10.322 1.00 0.00 C ATOM 881 O GLU A 55 -1.825 1.307 11.196 1.00 0.00 O ATOM 882 CB GLU A 55 -3.618 2.643 9.012 1.00 0.00 C ATOM 883 CG GLU A 55 -3.998 3.454 7.784 1.00 0.00 C ATOM 884 CD GLU A 55 -4.391 2.582 6.608 1.00 0.00 C ATOM 885 OE1 GLU A 55 -3.621 1.658 6.271 1.00 0.00 O ATOM 886 OE2 GLU A 55 -5.469 2.823 6.024 1.00 0.00 O ATOM 0 H GLU A 55 -3.180 0.274 8.438 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.608 2.647 8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.333 1.830 9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.700 3.276 9.895 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.827 4.117 8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.158 4.087 7.497 1.00 0.00 H new ATOM 893 N LEU A 56 -0.680 3.118 10.507 1.00 0.00 N ATOM 894 CA LEU A 56 0.016 3.298 11.775 1.00 0.00 C ATOM 895 C LEU A 56 -0.724 4.293 12.664 1.00 0.00 C ATOM 896 O LEU A 56 -1.585 5.038 12.195 1.00 0.00 O ATOM 897 CB LEU A 56 1.447 3.781 11.532 1.00 0.00 C ATOM 898 CG LEU A 56 2.296 2.869 10.644 1.00 0.00 C ATOM 899 CD1 LEU A 56 3.611 3.545 10.290 1.00 0.00 C ATOM 900 CD2 LEU A 56 2.547 1.538 11.335 1.00 0.00 C ATOM 0 H LEU A 56 -0.441 3.807 9.794 1.00 0.00 H new ATOM 0 HA LEU A 56 0.047 2.335 12.284 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.408 4.771 11.078 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.945 3.892 12.495 1.00 0.00 H new ATOM 0 HG LEU A 56 1.749 2.679 9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.202 2.882 9.658 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.410 4.473 9.755 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.164 3.765 11.203 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.152 0.901 10.690 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.074 1.709 12.274 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.595 1.048 11.538 1.00 0.00 H new