USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 575 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 39 HIS : no HE2:sc= 1.06 K(o=0.98,f=-4.2!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.0839 K(o=0.98,f=-1.1!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 14:sc= 1.22 USER MOD Single : A 7 TYR OH : rot 30:sc= -0.0136 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00415 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -145:sc= 0.932 (180deg=-0.889!) USER MOD Single : A 15 HIS : no HE2:sc= 0.48 K(o=0.48,f=-2.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -110:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 84:sc= 0.627 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.339 K(o=-0.34,f=-2.3!) USER MOD Single : A 55 THR OG1 : rot 82:sc= 1.71 USER MOD Single : A 57 ASN : amide:sc= -0.274 K(o=-0.27,f=-2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 60:sc= 0.612 USER MOD Single : A 72 LYS NZ :NH3+ -165:sc=-0.00138 (180deg=-0.0877) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -129:sc= 1.41 USER MOD Single : A 80 HIS : no HD1:sc= -0.867 X(o=-0.87,f=-1) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.546 -8.130 -11.068 1.00 0.00 N ATOM 66 CA LYS A 5 1.261 -8.746 -9.958 1.00 0.00 C ATOM 67 C LYS A 5 0.268 -9.179 -8.879 1.00 0.00 C ATOM 68 O LYS A 5 0.108 -8.539 -7.842 1.00 0.00 O ATOM 69 CB LYS A 5 2.399 -7.858 -9.450 1.00 0.00 C ATOM 70 CG LYS A 5 3.602 -7.815 -10.400 1.00 0.00 C ATOM 71 CD LYS A 5 4.559 -6.691 -9.966 1.00 0.00 C ATOM 72 CE LYS A 5 5.339 -6.112 -11.152 1.00 0.00 C ATOM 73 NZ LYS A 5 5.912 -4.789 -10.826 1.00 0.00 N ATOM 0 HA LYS A 5 1.760 -9.651 -10.305 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.023 -6.845 -9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.727 -8.220 -8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.121 -8.773 -10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.265 -7.646 -11.423 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.990 -5.896 -9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.259 -7.077 -9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.139 -6.797 -11.433 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.679 -6.022 -12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.433 -4.424 -11.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.146 -4.130 -10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.560 -4.881 -10.018 1.00 0.00 H new ATOM 87 N TYR A 6 -0.416 -10.286 -9.154 1.00 0.00 N ATOM 88 CA TYR A 6 -1.261 -10.955 -8.187 1.00 0.00 C ATOM 89 C TYR A 6 -0.390 -11.538 -7.070 1.00 0.00 C ATOM 90 O TYR A 6 0.340 -12.493 -7.321 1.00 0.00 O ATOM 91 CB TYR A 6 -2.052 -12.051 -8.908 1.00 0.00 C ATOM 92 CG TYR A 6 -3.231 -11.527 -9.700 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.313 -10.961 -9.005 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.289 -11.641 -11.104 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.455 -10.544 -9.699 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.384 -11.098 -11.804 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.433 -10.482 -11.098 1.00 0.00 C ATOM 98 OH TYR A 6 -6.349 -9.714 -11.746 1.00 0.00 O ATOM 0 H TYR A 6 -0.395 -10.743 -10.065 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.963 -10.255 -7.735 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.383 -12.587 -9.581 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.410 -12.772 -8.173 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.264 -10.847 -7.932 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.497 -12.143 -11.641 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.349 -10.271 -9.158 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.418 -11.155 -12.882 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.787 -9.116 -11.105 1.00 0.00 H new ATOM 108 N TYR A 7 -0.460 -10.977 -5.859 1.00 0.00 N ATOM 109 CA TYR A 7 0.281 -11.471 -4.699 1.00 0.00 C ATOM 110 C TYR A 7 -0.678 -11.976 -3.617 1.00 0.00 C ATOM 111 O TYR A 7 -1.769 -11.433 -3.450 1.00 0.00 O ATOM 112 CB TYR A 7 1.183 -10.366 -4.146 1.00 0.00 C ATOM 113 CG TYR A 7 2.276 -9.888 -5.075 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.307 -10.770 -5.447 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.356 -8.528 -5.429 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.419 -10.293 -6.158 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.490 -8.045 -6.103 1.00 0.00 C ATOM 118 CZ TYR A 7 4.514 -8.929 -6.478 1.00 0.00 C ATOM 119 OH TYR A 7 5.612 -8.455 -7.131 1.00 0.00 O ATOM 0 H TYR A 7 -1.038 -10.161 -5.657 1.00 0.00 H new ATOM 0 HA TYR A 7 0.904 -12.308 -5.014 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.560 -9.513 -3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.644 -10.725 -3.226 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.243 -11.816 -5.185 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.547 -7.857 -5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.201 -10.974 -6.459 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.574 -6.993 -6.333 1.00 0.00 H new ATOM 0 HH TYR A 7 5.981 -9.159 -7.704 1.00 0.00 H new ATOM 129 N THR A 8 -0.284 -13.030 -2.896 1.00 0.00 N ATOM 130 CA THR A 8 -1.105 -13.669 -1.876 1.00 0.00 C ATOM 131 C THR A 8 -0.956 -12.952 -0.531 1.00 0.00 C ATOM 132 O THR A 8 -0.062 -12.127 -0.346 1.00 0.00 O ATOM 133 CB THR A 8 -0.671 -15.138 -1.740 1.00 0.00 C ATOM 134 OG1 THR A 8 0.697 -15.181 -1.383 1.00 0.00 O ATOM 135 CG2 THR A 8 -0.868 -15.918 -3.043 1.00 0.00 C ATOM 0 H THR A 8 0.631 -13.467 -3.011 1.00 0.00 H new ATOM 0 HA THR A 8 -2.153 -13.615 -2.172 1.00 0.00 H new ATOM 0 HB THR A 8 -1.292 -15.602 -0.973 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.982 -16.114 -1.292 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.549 -16.950 -2.901 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.921 -15.899 -3.323 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.274 -15.460 -3.834 1.00 0.00 H new ATOM 143 N LEU A 9 -1.816 -13.303 0.430 1.00 0.00 N ATOM 144 CA LEU A 9 -1.776 -12.748 1.772 1.00 0.00 C ATOM 145 C LEU A 9 -0.411 -13.009 2.400 1.00 0.00 C ATOM 146 O LEU A 9 0.241 -12.069 2.844 1.00 0.00 O ATOM 147 CB LEU A 9 -2.892 -13.361 2.629 1.00 0.00 C ATOM 148 CG LEU A 9 -4.301 -12.805 2.365 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.433 -11.320 2.719 1.00 0.00 C ATOM 150 CD2 LEU A 9 -4.769 -13.003 0.925 1.00 0.00 C ATOM 0 H LEU A 9 -2.561 -13.985 0.290 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.935 -11.671 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.907 -14.438 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.648 -13.205 3.680 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.941 -13.389 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.449 -10.985 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.213 -11.177 3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.730 -10.740 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.770 -12.588 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.084 -12.495 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.788 -14.068 0.692 1.00 0.00 H new ATOM 162 N GLU A 10 0.029 -14.273 2.411 1.00 0.00 N ATOM 163 CA GLU A 10 1.312 -14.676 2.965 1.00 0.00 C ATOM 164 C GLU A 10 2.432 -13.785 2.416 1.00 0.00 C ATOM 165 O GLU A 10 3.296 -13.316 3.159 1.00 0.00 O ATOM 166 CB GLU A 10 1.569 -16.154 2.623 1.00 0.00 C ATOM 167 CG GLU A 10 2.367 -16.852 3.731 1.00 0.00 C ATOM 168 CD GLU A 10 1.456 -17.650 4.656 1.00 0.00 C ATOM 169 OE1 GLU A 10 0.808 -17.007 5.509 1.00 0.00 O ATOM 170 OE2 GLU A 10 1.405 -18.884 4.467 1.00 0.00 O ATOM 0 H GLU A 10 -0.509 -15.050 2.028 1.00 0.00 H new ATOM 0 HA GLU A 10 1.294 -14.561 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.618 -16.667 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.114 -16.222 1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.107 -17.517 3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.915 -16.109 4.310 1.00 0.00 H new ATOM 177 N GLU A 11 2.406 -13.536 1.101 1.00 0.00 N ATOM 178 CA GLU A 11 3.358 -12.647 0.466 1.00 0.00 C ATOM 179 C GLU A 11 3.205 -11.238 1.052 1.00 0.00 C ATOM 180 O GLU A 11 4.148 -10.704 1.640 1.00 0.00 O ATOM 181 CB GLU A 11 3.190 -12.697 -1.061 1.00 0.00 C ATOM 182 CG GLU A 11 4.473 -12.295 -1.805 1.00 0.00 C ATOM 183 CD GLU A 11 5.524 -13.397 -1.759 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.470 -14.275 -2.642 1.00 0.00 O ATOM 185 OE2 GLU A 11 6.354 -13.354 -0.823 1.00 0.00 O ATOM 0 H GLU A 11 1.726 -13.946 0.461 1.00 0.00 H new ATOM 0 HA GLU A 11 4.379 -12.969 0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.901 -13.705 -1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.378 -12.032 -1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.234 -12.064 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.880 -11.386 -1.362 1.00 0.00 H new ATOM 192 N ILE A 12 2.008 -10.649 0.961 1.00 0.00 N ATOM 193 CA ILE A 12 1.713 -9.288 1.400 1.00 0.00 C ATOM 194 C ILE A 12 1.437 -9.251 2.913 1.00 0.00 C ATOM 195 O ILE A 12 0.481 -8.634 3.375 1.00 0.00 O ATOM 196 CB ILE A 12 0.536 -8.691 0.605 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.589 -8.967 -0.906 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.540 -7.161 0.785 1.00 0.00 C ATOM 199 CD1 ILE A 12 -0.829 -8.891 -1.484 1.00 0.00 C ATOM 0 H ILE A 12 1.196 -11.124 0.567 1.00 0.00 H new ATOM 0 HA ILE A 12 2.590 -8.672 1.203 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.362 -9.169 0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.234 -8.239 -1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.018 -9.951 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.289 -6.727 0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.432 -6.919 1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.480 -6.753 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.796 -9.086 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.460 -9.636 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.241 -7.897 -1.309 1.00 0.00 H new ATOM 211 N GLN A 13 2.297 -9.899 3.696 1.00 0.00 N ATOM 212 CA GLN A 13 2.224 -9.911 5.150 1.00 0.00 C ATOM 213 C GLN A 13 3.557 -9.434 5.716 1.00 0.00 C ATOM 214 O GLN A 13 3.613 -8.466 6.469 1.00 0.00 O ATOM 215 CB GLN A 13 1.846 -11.315 5.636 1.00 0.00 C ATOM 216 CG GLN A 13 1.612 -11.308 7.145 1.00 0.00 C ATOM 217 CD GLN A 13 1.125 -12.666 7.642 1.00 0.00 C ATOM 218 OE1 GLN A 13 1.786 -13.675 7.432 1.00 0.00 O ATOM 219 NE2 GLN A 13 -0.023 -12.707 8.315 1.00 0.00 N ATOM 0 H GLN A 13 3.079 -10.440 3.327 1.00 0.00 H new ATOM 0 HA GLN A 13 1.449 -9.231 5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.946 -11.655 5.123 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.640 -12.019 5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.537 -11.043 7.656 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.878 -10.543 7.397 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.552 -11.849 8.474 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.374 -13.596 8.671 1.00 0.00 H new ATOM 228 N LYS A 14 4.656 -10.066 5.296 1.00 0.00 N ATOM 229 CA LYS A 14 5.998 -9.714 5.750 1.00 0.00 C ATOM 230 C LYS A 14 6.560 -8.495 5.005 1.00 0.00 C ATOM 231 O LYS A 14 7.756 -8.219 5.070 1.00 0.00 O ATOM 232 CB LYS A 14 6.938 -10.940 5.755 1.00 0.00 C ATOM 233 CG LYS A 14 7.298 -11.614 4.415 1.00 0.00 C ATOM 234 CD LYS A 14 6.177 -12.508 3.859 1.00 0.00 C ATOM 235 CE LYS A 14 6.633 -13.492 2.774 1.00 0.00 C ATOM 236 NZ LYS A 14 7.058 -12.803 1.539 1.00 0.00 N ATOM 0 H LYS A 14 4.637 -10.838 4.630 1.00 0.00 H new ATOM 0 HA LYS A 14 5.926 -9.398 6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.870 -10.637 6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.485 -11.699 6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.535 -10.843 3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.198 -12.214 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.736 -13.071 4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.391 -11.873 3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.458 -14.093 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.819 -14.179 2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.795 -13.378 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.589 -11.876 1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.089 -12.669 1.554 1.00 0.00 H new ATOM 250 N HIS A 15 5.705 -7.750 4.300 1.00 0.00 N ATOM 251 CA HIS A 15 6.052 -6.577 3.510 1.00 0.00 C ATOM 252 C HIS A 15 5.627 -5.319 4.283 1.00 0.00 C ATOM 253 O HIS A 15 4.904 -4.458 3.776 1.00 0.00 O ATOM 254 CB HIS A 15 5.418 -6.731 2.121 1.00 0.00 C ATOM 255 CG HIS A 15 6.191 -7.665 1.218 1.00 0.00 C ATOM 256 ND1 HIS A 15 6.732 -7.349 -0.006 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.564 -8.951 1.502 1.00 0.00 C ATOM 258 CE1 HIS A 15 7.413 -8.422 -0.444 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.366 -9.419 0.457 1.00 0.00 N ATOM 0 H HIS A 15 4.708 -7.962 4.266 1.00 0.00 H new ATOM 0 HA HIS A 15 7.125 -6.476 3.348 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.399 -7.103 2.232 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.350 -5.751 1.648 1.00 0.00 H new ATOM 0 HD1 HIS A 15 6.634 -6.459 -0.495 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.286 -9.509 2.384 1.00 0.00 H new ATOM 0 HE1 HIS A 15 7.928 -8.476 -1.392 1.00 0.00 H new ATOM 267 N LYS A 16 6.112 -5.250 5.530 1.00 0.00 N ATOM 268 CA LYS A 16 5.957 -4.138 6.462 1.00 0.00 C ATOM 269 C LYS A 16 7.328 -3.550 6.807 1.00 0.00 C ATOM 270 O LYS A 16 7.505 -2.335 6.787 1.00 0.00 O ATOM 271 CB LYS A 16 5.167 -4.598 7.707 1.00 0.00 C ATOM 272 CG LYS A 16 5.191 -3.611 8.896 1.00 0.00 C ATOM 273 CD LYS A 16 3.863 -3.573 9.684 1.00 0.00 C ATOM 274 CE LYS A 16 4.005 -3.067 11.136 1.00 0.00 C ATOM 275 NZ LYS A 16 3.607 -4.059 12.160 1.00 0.00 N ATOM 0 H LYS A 16 6.653 -6.015 5.933 1.00 0.00 H new ATOM 0 HA LYS A 16 5.378 -3.340 5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.130 -4.770 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.568 -5.555 8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.999 -3.888 9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.414 -2.611 8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.157 -2.932 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.434 -4.575 9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.041 -2.777 11.309 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.398 -2.170 11.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.729 -3.648 13.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.610 -4.319 12.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.202 -4.907 12.071 1.00 0.00 H new ATOM 334 N SER A 20 10.367 -3.682 2.094 1.00 0.00 N ATOM 335 CA SER A 20 9.330 -3.463 1.108 1.00 0.00 C ATOM 336 C SER A 20 8.088 -3.061 1.890 1.00 0.00 C ATOM 337 O SER A 20 7.426 -3.933 2.446 1.00 0.00 O ATOM 338 CB SER A 20 9.104 -4.728 0.263 1.00 0.00 C ATOM 339 OG SER A 20 9.456 -4.510 -1.085 1.00 0.00 O ATOM 0 HA SER A 20 9.602 -2.682 0.398 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.695 -5.549 0.668 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.058 -5.028 0.325 1.00 0.00 H new ATOM 0 HG SER A 20 9.304 -5.330 -1.599 1.00 0.00 H new ATOM 345 N THR A 21 7.807 -1.762 1.993 1.00 0.00 N ATOM 346 CA THR A 21 6.609 -1.268 2.630 1.00 0.00 C ATOM 347 C THR A 21 5.509 -1.335 1.580 1.00 0.00 C ATOM 348 O THR A 21 5.378 -0.427 0.755 1.00 0.00 O ATOM 349 CB THR A 21 6.870 0.153 3.138 1.00 0.00 C ATOM 350 OG1 THR A 21 7.759 0.080 4.235 1.00 0.00 O ATOM 351 CG2 THR A 21 5.575 0.850 3.556 1.00 0.00 C ATOM 0 H THR A 21 8.415 -1.027 1.631 1.00 0.00 H new ATOM 0 HA THR A 21 6.308 -1.856 3.497 1.00 0.00 H new ATOM 0 HB THR A 21 7.307 0.742 2.331 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.281 0.309 5.059 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.801 1.856 3.911 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.902 0.910 2.701 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.098 0.282 4.355 1.00 0.00 H new ATOM 359 N TRP A 22 4.755 -2.433 1.597 1.00 0.00 N ATOM 360 CA TRP A 22 3.602 -2.589 0.731 1.00 0.00 C ATOM 361 C TRP A 22 2.345 -2.349 1.543 1.00 0.00 C ATOM 362 O TRP A 22 2.310 -2.655 2.730 1.00 0.00 O ATOM 363 CB TRP A 22 3.569 -3.966 0.102 1.00 0.00 C ATOM 364 CG TRP A 22 4.677 -4.280 -0.853 1.00 0.00 C ATOM 365 CD1 TRP A 22 5.751 -3.521 -1.174 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.768 -5.453 -1.691 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.488 -4.154 -2.148 1.00 0.00 N ATOM 368 CE2 TRP A 22 5.938 -5.368 -2.496 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.943 -6.574 -1.851 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.284 -6.376 -3.404 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.304 -7.621 -2.717 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.486 -7.531 -3.477 1.00 0.00 C ATOM 0 H TRP A 22 4.929 -3.230 2.209 1.00 0.00 H new ATOM 0 HA TRP A 22 3.665 -1.862 -0.079 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.583 -4.708 0.900 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.621 -4.081 -0.423 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.992 -2.565 -0.733 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.338 -3.771 -2.562 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.016 -6.635 -1.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.151 -6.268 -4.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.675 -8.495 -2.799 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.780 -8.350 -4.117 1.00 0.00 H new ATOM 383 N VAL A 23 1.306 -1.835 0.900 1.00 0.00 N ATOM 384 CA VAL A 23 -0.008 -1.660 1.497 1.00 0.00 C ATOM 385 C VAL A 23 -1.024 -2.067 0.447 1.00 0.00 C ATOM 386 O VAL A 23 -0.797 -1.819 -0.741 1.00 0.00 O ATOM 387 CB VAL A 23 -0.243 -0.202 1.930 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.349 0.100 3.307 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.328 0.801 0.932 1.00 0.00 C ATOM 0 H VAL A 23 1.355 -1.522 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.097 -2.271 2.395 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.327 -0.092 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.156 1.141 3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.111 -0.550 4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.425 -0.076 3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.136 1.814 1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.403 0.648 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.146 0.658 -0.039 1.00 0.00 H new ATOM 399 N ILE A 24 -2.130 -2.684 0.875 1.00 0.00 N ATOM 400 CA ILE A 24 -3.267 -2.884 0.007 1.00 0.00 C ATOM 401 C ILE A 24 -4.283 -1.785 0.287 1.00 0.00 C ATOM 402 O ILE A 24 -4.576 -1.483 1.447 1.00 0.00 O ATOM 403 CB ILE A 24 -3.787 -4.325 0.040 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.473 -4.733 1.335 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.602 -5.268 -0.161 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.985 -4.469 1.332 1.00 0.00 C ATOM 0 H ILE A 24 -2.250 -3.049 1.820 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.982 -2.780 -1.040 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.537 -4.387 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.297 -5.794 1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.019 -4.192 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.951 -6.300 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.133 -5.062 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.876 -5.115 0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.411 -4.783 2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.168 -3.405 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.451 -5.032 0.523 1.00 0.00 H new ATOM 418 N LEU A 25 -4.719 -1.124 -0.788 1.00 0.00 N ATOM 419 CA LEU A 25 -5.582 0.044 -0.766 1.00 0.00 C ATOM 420 C LEU A 25 -6.628 -0.178 -1.856 1.00 0.00 C ATOM 421 O LEU A 25 -6.299 -0.163 -3.037 1.00 0.00 O ATOM 422 CB LEU A 25 -4.759 1.311 -1.034 1.00 0.00 C ATOM 423 CG LEU A 25 -3.691 1.576 0.040 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.511 2.287 -0.597 1.00 0.00 C ATOM 425 CD2 LEU A 25 -4.209 2.505 1.128 1.00 0.00 C ATOM 0 H LEU A 25 -4.465 -1.406 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.060 0.177 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.274 1.223 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.430 2.168 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.417 0.612 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.750 2.478 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.091 1.661 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.844 3.233 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.427 2.669 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.496 3.459 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.076 2.053 1.610 1.00 0.00 H new ATOM 437 N HIS A 26 -7.877 -0.441 -1.476 1.00 0.00 N ATOM 438 CA HIS A 26 -8.972 -0.696 -2.413 1.00 0.00 C ATOM 439 C HIS A 26 -8.653 -1.851 -3.374 1.00 0.00 C ATOM 440 O HIS A 26 -8.738 -1.695 -4.593 1.00 0.00 O ATOM 441 CB HIS A 26 -9.320 0.568 -3.215 1.00 0.00 C ATOM 442 CG HIS A 26 -9.631 1.780 -2.387 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.882 2.155 -1.954 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.766 2.803 -2.109 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.771 3.384 -1.429 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.503 3.825 -1.515 1.00 0.00 N ATOM 0 H HIS A 26 -8.161 -0.484 -0.497 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.835 -0.985 -1.813 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.485 0.802 -3.875 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.178 0.351 -3.851 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.705 2.816 -2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.588 3.943 -0.996 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -9.150 4.731 -1.206 1.00 0.00 H new ATOM 454 N HIS A 27 -8.316 -3.026 -2.832 1.00 0.00 N ATOM 455 CA HIS A 27 -8.049 -4.224 -3.625 1.00 0.00 C ATOM 456 C HIS A 27 -6.986 -3.984 -4.708 1.00 0.00 C ATOM 457 O HIS A 27 -7.093 -4.497 -5.822 1.00 0.00 O ATOM 458 CB HIS A 27 -9.358 -4.797 -4.202 1.00 0.00 C ATOM 459 CG HIS A 27 -10.066 -5.738 -3.268 1.00 0.00 C ATOM 460 ND1 HIS A 27 -9.771 -7.074 -3.118 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.204 -5.478 -2.554 1.00 0.00 C ATOM 462 CE1 HIS A 27 -10.719 -7.609 -2.332 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.613 -6.677 -1.963 1.00 0.00 N ATOM 0 H HIS A 27 -8.221 -3.170 -1.827 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.626 -4.975 -2.958 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.027 -3.973 -4.450 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.137 -5.320 -5.133 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.696 -4.521 -2.464 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.757 -8.647 -2.037 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.430 -6.817 -1.368 1.00 0.00 H new ATOM 471 N LYS A 28 -5.923 -3.256 -4.367 1.00 0.00 N ATOM 472 CA LYS A 28 -4.721 -3.153 -5.174 1.00 0.00 C ATOM 473 C LYS A 28 -3.548 -2.980 -4.228 1.00 0.00 C ATOM 474 O LYS A 28 -3.726 -2.408 -3.153 1.00 0.00 O ATOM 475 CB LYS A 28 -4.820 -1.993 -6.171 1.00 0.00 C ATOM 476 CG LYS A 28 -5.351 -2.484 -7.526 1.00 0.00 C ATOM 477 CD LYS A 28 -6.647 -1.774 -7.923 1.00 0.00 C ATOM 478 CE LYS A 28 -7.296 -2.521 -9.102 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.482 -1.664 -10.288 1.00 0.00 N ATOM 0 H LYS A 28 -5.879 -2.713 -3.504 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.586 -4.055 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.480 -1.222 -5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.839 -1.536 -6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.596 -2.317 -8.294 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.526 -3.559 -7.479 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.332 -1.743 -7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.438 -0.741 -8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.675 -3.376 -9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.263 -2.915 -8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.922 -2.217 -11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.097 -0.861 -10.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.558 -1.308 -10.607 1.00 0.00 H new ATOM 493 N VAL A 29 -2.392 -3.526 -4.615 1.00 0.00 N ATOM 494 CA VAL A 29 -1.205 -3.599 -3.783 1.00 0.00 C ATOM 495 C VAL A 29 -0.228 -2.551 -4.309 1.00 0.00 C ATOM 496 O VAL A 29 0.092 -2.541 -5.502 1.00 0.00 O ATOM 497 CB VAL A 29 -0.614 -5.026 -3.792 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.525 -5.119 -2.765 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.636 -6.116 -3.440 1.00 0.00 C ATOM 0 H VAL A 29 -2.260 -3.937 -5.539 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.437 -3.388 -2.739 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.268 -5.199 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.941 -6.127 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.305 -4.403 -3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.138 -4.894 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.151 -7.092 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.032 -5.934 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.452 -6.097 -4.163 1.00 0.00 H new ATOM 509 N TYR A 30 0.203 -1.649 -3.425 1.00 0.00 N ATOM 510 CA TYR A 30 1.073 -0.530 -3.754 1.00 0.00 C ATOM 511 C TYR A 30 2.384 -0.684 -2.996 1.00 0.00 C ATOM 512 O TYR A 30 2.342 -0.964 -1.798 1.00 0.00 O ATOM 513 CB TYR A 30 0.388 0.783 -3.368 1.00 0.00 C ATOM 514 CG TYR A 30 -0.917 1.031 -4.095 1.00 0.00 C ATOM 515 CD1 TYR A 30 -2.099 0.392 -3.681 1.00 0.00 C ATOM 516 CD2 TYR A 30 -0.934 1.844 -5.239 1.00 0.00 C ATOM 517 CE1 TYR A 30 -3.292 0.598 -4.391 1.00 0.00 C ATOM 518 CE2 TYR A 30 -2.134 2.055 -5.938 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.325 1.472 -5.484 1.00 0.00 C ATOM 520 OH TYR A 30 -4.499 1.729 -6.125 1.00 0.00 O ATOM 0 H TYR A 30 -0.052 -1.682 -2.438 1.00 0.00 H new ATOM 0 HA TYR A 30 1.275 -0.517 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.200 0.781 -2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.069 1.610 -3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.089 -0.257 -2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.022 2.309 -5.583 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.191 0.079 -4.092 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.139 2.668 -6.827 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.340 2.358 -6.860 1.00 0.00 H new ATOM 530 N ASP A 31 3.519 -0.492 -3.682 1.00 0.00 N ATOM 531 CA ASP A 31 4.838 -0.440 -3.060 1.00 0.00 C ATOM 532 C ASP A 31 5.166 1.021 -2.785 1.00 0.00 C ATOM 533 O ASP A 31 5.125 1.837 -3.704 1.00 0.00 O ATOM 534 CB ASP A 31 5.910 -1.052 -3.972 1.00 0.00 C ATOM 535 CG ASP A 31 7.266 -1.140 -3.276 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.677 -0.143 -2.639 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.871 -2.232 -3.336 1.00 0.00 O ATOM 0 H ASP A 31 3.541 -0.368 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 31 4.827 -1.018 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.596 -2.048 -4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.004 -0.450 -4.876 1.00 0.00 H new ATOM 542 N LEU A 32 5.465 1.358 -1.530 1.00 0.00 N ATOM 543 CA LEU A 32 5.761 2.726 -1.131 1.00 0.00 C ATOM 544 C LEU A 32 7.141 2.795 -0.469 1.00 0.00 C ATOM 545 O LEU A 32 7.429 3.705 0.307 1.00 0.00 O ATOM 546 CB LEU A 32 4.618 3.210 -0.227 1.00 0.00 C ATOM 547 CG LEU A 32 3.244 3.102 -0.922 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.134 3.304 0.097 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.025 4.107 -2.062 1.00 0.00 C ATOM 0 H LEU A 32 5.508 0.686 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 32 5.815 3.394 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.607 2.621 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.798 4.246 0.061 1.00 0.00 H new ATOM 0 HG LEU A 32 3.224 2.105 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.166 3.227 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.207 2.540 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.232 4.290 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.035 3.959 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.103 5.122 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.782 3.955 -2.832 1.00 0.00 H new ATOM 561 N THR A 33 8.028 1.855 -0.802 1.00 0.00 N ATOM 562 CA THR A 33 9.297 1.666 -0.112 1.00 0.00 C ATOM 563 C THR A 33 10.244 2.849 -0.294 1.00 0.00 C ATOM 564 O THR A 33 10.924 3.240 0.652 1.00 0.00 O ATOM 565 CB THR A 33 9.885 0.317 -0.532 1.00 0.00 C ATOM 566 OG1 THR A 33 8.861 -0.638 -0.360 1.00 0.00 O ATOM 567 CG2 THR A 33 11.082 -0.104 0.322 1.00 0.00 C ATOM 0 H THR A 33 7.880 1.198 -1.568 1.00 0.00 H new ATOM 0 HA THR A 33 9.131 1.637 0.965 1.00 0.00 H new ATOM 0 HB THR A 33 10.238 0.393 -1.561 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.285 -0.646 -1.152 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.455 -1.068 -0.024 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.871 0.643 0.235 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.774 -0.187 1.364 1.00 0.00 H new ATOM 575 N LYS A 34 10.267 3.456 -1.484 1.00 0.00 N ATOM 576 CA LYS A 34 10.996 4.695 -1.713 1.00 0.00 C ATOM 577 C LYS A 34 10.084 5.919 -1.585 1.00 0.00 C ATOM 578 O LYS A 34 10.466 7.001 -2.021 1.00 0.00 O ATOM 579 CB LYS A 34 11.652 4.642 -3.094 1.00 0.00 C ATOM 580 CG LYS A 34 12.696 3.523 -3.189 1.00 0.00 C ATOM 581 CD LYS A 34 13.543 3.792 -4.445 1.00 0.00 C ATOM 582 CE LYS A 34 14.523 2.665 -4.799 1.00 0.00 C ATOM 583 NZ LYS A 34 15.638 2.554 -3.836 1.00 0.00 N ATOM 0 H LYS A 34 9.782 3.101 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 34 11.767 4.795 -0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.886 4.489 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.126 5.600 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.324 3.507 -2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.211 2.549 -3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.875 3.956 -5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.105 4.714 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.984 1.718 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.926 2.840 -5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.269 1.778 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.172 3.446 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.259 2.359 -2.887 1.00 0.00 H new ATOM 597 N PHE A 35 8.893 5.764 -0.996 1.00 0.00 N ATOM 598 CA PHE A 35 7.947 6.856 -0.809 1.00 0.00 C ATOM 599 C PHE A 35 7.803 7.202 0.675 1.00 0.00 C ATOM 600 O PHE A 35 7.171 8.194 1.009 1.00 0.00 O ATOM 601 CB PHE A 35 6.609 6.488 -1.458 1.00 0.00 C ATOM 602 CG PHE A 35 5.536 7.560 -1.403 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.766 8.824 -1.974 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.311 7.298 -0.767 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.761 9.805 -1.948 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.284 8.253 -0.794 1.00 0.00 C ATOM 607 CZ PHE A 35 3.511 9.512 -1.374 1.00 0.00 C ATOM 0 H PHE A 35 8.562 4.869 -0.635 1.00 0.00 H new ATOM 0 HA PHE A 35 8.321 7.754 -1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.790 6.234 -2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.225 5.590 -0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.719 9.041 -2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.160 6.359 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.948 10.782 -2.368 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.319 8.020 -0.369 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.726 10.254 -1.379 1.00 0.00 H new ATOM 617 N LEU A 36 8.406 6.411 1.568 1.00 0.00 N ATOM 618 CA LEU A 36 8.299 6.573 3.007 1.00 0.00 C ATOM 619 C LEU A 36 8.544 8.027 3.440 1.00 0.00 C ATOM 620 O LEU A 36 7.633 8.689 3.929 1.00 0.00 O ATOM 621 CB LEU A 36 9.265 5.589 3.683 1.00 0.00 C ATOM 622 CG LEU A 36 8.888 4.105 3.550 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.819 3.252 4.424 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.441 3.833 3.972 1.00 0.00 C ATOM 0 H LEU A 36 8.994 5.624 1.296 1.00 0.00 H new ATOM 0 HA LEU A 36 7.282 6.344 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.260 5.734 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.329 5.837 4.742 1.00 0.00 H new ATOM 0 HG LEU A 36 8.993 3.842 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.548 2.201 4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.851 3.392 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.720 3.557 5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.223 2.771 3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.305 4.124 5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.764 4.411 3.343 1.00 0.00 H new ATOM 636 N GLU A 37 9.766 8.529 3.250 1.00 0.00 N ATOM 637 CA GLU A 37 10.115 9.907 3.572 1.00 0.00 C ATOM 638 C GLU A 37 9.348 10.896 2.684 1.00 0.00 C ATOM 639 O GLU A 37 8.824 11.895 3.167 1.00 0.00 O ATOM 640 CB GLU A 37 11.634 10.081 3.417 1.00 0.00 C ATOM 641 CG GLU A 37 12.360 9.891 4.756 1.00 0.00 C ATOM 642 CD GLU A 37 12.297 11.161 5.598 1.00 0.00 C ATOM 643 OE1 GLU A 37 12.954 12.138 5.182 1.00 0.00 O ATOM 644 OE2 GLU A 37 11.596 11.128 6.631 1.00 0.00 O ATOM 0 H GLU A 37 10.541 7.987 2.867 1.00 0.00 H new ATOM 0 HA GLU A 37 9.830 10.122 4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.012 9.361 2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.849 11.074 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.908 9.064 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.401 9.622 4.574 1.00 0.00 H new ATOM 651 N GLU A 38 9.308 10.621 1.377 1.00 0.00 N ATOM 652 CA GLU A 38 8.688 11.491 0.379 1.00 0.00 C ATOM 653 C GLU A 38 7.240 11.846 0.741 1.00 0.00 C ATOM 654 O GLU A 38 6.820 12.987 0.562 1.00 0.00 O ATOM 655 CB GLU A 38 8.755 10.801 -0.993 1.00 0.00 C ATOM 656 CG GLU A 38 9.807 11.395 -1.941 1.00 0.00 C ATOM 657 CD GLU A 38 9.200 12.395 -2.922 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.195 12.018 -3.565 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.761 13.506 -3.025 1.00 0.00 O ATOM 0 H GLU A 38 9.713 9.774 0.979 1.00 0.00 H new ATOM 0 HA GLU A 38 9.239 12.431 0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.970 9.743 -0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.776 10.864 -1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.584 11.888 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.289 10.590 -2.496 1.00 0.00 H new ATOM 666 N HIS A 39 6.469 10.861 1.209 1.00 0.00 N ATOM 667 CA HIS A 39 5.058 10.988 1.537 1.00 0.00 C ATOM 668 C HIS A 39 4.800 12.226 2.404 1.00 0.00 C ATOM 669 O HIS A 39 5.197 12.232 3.571 1.00 0.00 O ATOM 670 CB HIS A 39 4.606 9.709 2.246 1.00 0.00 C ATOM 671 CG HIS A 39 3.177 9.689 2.731 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.787 9.312 3.991 1.00 0.00 N ATOM 673 CD2 HIS A 39 2.037 9.858 1.989 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.451 9.259 4.012 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.939 9.573 2.811 1.00 0.00 N ATOM 0 H HIS A 39 6.829 9.921 1.374 1.00 0.00 H new ATOM 0 HA HIS A 39 4.481 11.120 0.622 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.749 8.870 1.565 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.261 9.541 3.101 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.407 9.108 4.775 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.993 10.158 0.952 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.862 8.998 4.879 1.00 0.00 H new ATOM 683 N PRO A 40 4.125 13.263 1.873 1.00 0.00 N ATOM 684 CA PRO A 40 3.839 14.484 2.610 1.00 0.00 C ATOM 685 C PRO A 40 2.793 14.176 3.681 1.00 0.00 C ATOM 686 O PRO A 40 1.597 14.385 3.492 1.00 0.00 O ATOM 687 CB PRO A 40 3.367 15.503 1.569 1.00 0.00 C ATOM 688 CG PRO A 40 2.796 14.639 0.450 1.00 0.00 C ATOM 689 CD PRO A 40 3.589 13.338 0.522 1.00 0.00 C ATOM 0 HA PRO A 40 4.702 14.891 3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.614 16.175 1.980 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.190 16.124 1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.730 14.461 0.592 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.913 15.121 -0.521 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.951 12.481 0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.391 13.330 -0.216 1.00 0.00 H new ATOM 697 N GLY A 41 3.271 13.627 4.793 1.00 0.00 N ATOM 698 CA GLY A 41 2.457 13.047 5.843 1.00 0.00 C ATOM 699 C GLY A 41 3.322 12.148 6.722 1.00 0.00 C ATOM 700 O GLY A 41 3.127 12.121 7.935 1.00 0.00 O ATOM 0 H GLY A 41 4.270 13.574 4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.005 13.836 6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.640 12.471 5.408 1.00 0.00 H new ATOM 704 N GLY A 42 4.296 11.441 6.127 1.00 0.00 N ATOM 705 CA GLY A 42 5.302 10.720 6.892 1.00 0.00 C ATOM 706 C GLY A 42 5.547 9.285 6.487 1.00 0.00 C ATOM 707 O GLY A 42 4.711 8.651 5.847 1.00 0.00 O ATOM 0 H GLY A 42 4.400 11.359 5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.244 11.263 6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.009 10.734 7.942 1.00 0.00 H new ATOM 711 N GLU A 43 6.656 8.742 6.986 1.00 0.00 N ATOM 712 CA GLU A 43 6.981 7.346 6.805 1.00 0.00 C ATOM 713 C GLU A 43 6.193 6.495 7.821 1.00 0.00 C ATOM 714 O GLU A 43 5.714 5.415 7.489 1.00 0.00 O ATOM 715 CB GLU A 43 8.505 7.177 7.030 1.00 0.00 C ATOM 716 CG GLU A 43 9.008 5.737 7.302 1.00 0.00 C ATOM 717 CD GLU A 43 9.109 5.341 8.778 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.830 6.201 9.635 1.00 0.00 O ATOM 719 OE2 GLU A 43 9.505 4.177 9.031 1.00 0.00 O ATOM 0 H GLU A 43 7.347 9.264 7.525 1.00 0.00 H new ATOM 0 HA GLU A 43 6.714 7.016 5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.024 7.559 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.797 7.805 7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.340 5.037 6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.991 5.622 6.845 1.00 0.00 H new ATOM 726 N GLU A 44 6.077 6.943 9.078 1.00 0.00 N ATOM 727 CA GLU A 44 5.634 6.082 10.173 1.00 0.00 C ATOM 728 C GLU A 44 4.236 5.535 9.901 1.00 0.00 C ATOM 729 O GLU A 44 4.044 4.323 9.876 1.00 0.00 O ATOM 730 CB GLU A 44 5.716 6.810 11.521 1.00 0.00 C ATOM 731 CG GLU A 44 5.573 5.820 12.691 1.00 0.00 C ATOM 732 CD GLU A 44 5.457 6.529 14.035 1.00 0.00 C ATOM 733 OE1 GLU A 44 6.187 7.527 14.217 1.00 0.00 O ATOM 734 OE2 GLU A 44 4.634 6.068 14.852 1.00 0.00 O ATOM 0 H GLU A 44 6.286 7.901 9.359 1.00 0.00 H new ATOM 0 HA GLU A 44 6.311 5.230 10.232 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.668 7.335 11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.931 7.564 11.580 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.692 5.198 12.533 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.435 5.153 12.707 1.00 0.00 H new ATOM 741 N VAL A 45 3.259 6.415 9.642 1.00 0.00 N ATOM 742 CA VAL A 45 1.919 6.008 9.296 1.00 0.00 C ATOM 743 C VAL A 45 1.931 5.019 8.123 1.00 0.00 C ATOM 744 O VAL A 45 1.156 4.063 8.117 1.00 0.00 O ATOM 745 CB VAL A 45 1.077 7.271 9.047 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.320 7.922 7.679 1.00 0.00 C ATOM 747 CG2 VAL A 45 -0.379 6.945 9.272 1.00 0.00 C ATOM 0 H VAL A 45 3.391 7.426 9.670 1.00 0.00 H new ATOM 0 HA VAL A 45 1.454 5.460 10.116 1.00 0.00 H new ATOM 0 HB VAL A 45 1.397 8.027 9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.690 8.806 7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.367 8.212 7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.076 7.211 6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.982 7.836 9.097 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.686 6.158 8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.522 6.606 10.298 1.00 0.00 H new ATOM 757 N LEU A 46 2.843 5.209 7.157 1.00 0.00 N ATOM 758 CA LEU A 46 3.037 4.223 6.107 1.00 0.00 C ATOM 759 C LEU A 46 3.423 2.880 6.712 1.00 0.00 C ATOM 760 O LEU A 46 2.743 1.872 6.502 1.00 0.00 O ATOM 761 CB LEU A 46 3.984 4.697 4.988 1.00 0.00 C ATOM 762 CG LEU A 46 3.291 5.649 4.005 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.344 6.349 3.139 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.363 4.879 3.065 1.00 0.00 C ATOM 0 H LEU A 46 3.446 6.029 7.089 1.00 0.00 H new ATOM 0 HA LEU A 46 2.084 4.088 5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.844 5.199 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.364 3.831 4.446 1.00 0.00 H new ATOM 0 HG LEU A 46 2.717 6.370 4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.850 7.025 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.021 6.917 3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.911 5.603 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.883 5.575 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.942 4.150 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.601 4.362 3.649 1.00 0.00 H new ATOM 776 N ARG A 47 4.509 2.865 7.478 1.00 0.00 N ATOM 777 CA ARG A 47 5.075 1.616 7.942 1.00 0.00 C ATOM 778 C ARG A 47 4.206 0.875 8.957 1.00 0.00 C ATOM 779 O ARG A 47 4.259 -0.349 9.046 1.00 0.00 O ATOM 780 CB ARG A 47 6.504 1.828 8.440 1.00 0.00 C ATOM 781 CG ARG A 47 7.401 0.776 7.784 1.00 0.00 C ATOM 782 CD ARG A 47 8.414 0.260 8.800 1.00 0.00 C ATOM 783 NE ARG A 47 9.397 1.312 9.073 1.00 0.00 N ATOM 784 CZ ARG A 47 10.549 1.448 8.408 1.00 0.00 C ATOM 785 NH1 ARG A 47 10.844 0.608 7.417 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.379 2.436 8.734 1.00 0.00 N ATOM 0 H ARG A 47 5.007 3.700 7.786 1.00 0.00 H new ATOM 0 HA ARG A 47 5.107 0.951 7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.849 2.831 8.189 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.545 1.739 9.526 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.796 -0.049 7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.918 1.208 6.927 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.908 -0.031 9.721 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.912 -0.630 8.416 1.00 0.00 H new ATOM 0 HE ARG A 47 9.190 1.981 9.815 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.192 -0.136 7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.722 0.709 6.907 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.134 3.081 9.485 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.260 2.548 8.233 1.00 0.00 H new ATOM 800 N GLU A 48 3.396 1.619 9.701 1.00 0.00 N ATOM 801 CA GLU A 48 2.415 1.102 10.632 1.00 0.00 C ATOM 802 C GLU A 48 1.443 0.169 9.909 1.00 0.00 C ATOM 803 O GLU A 48 1.260 -0.980 10.305 1.00 0.00 O ATOM 804 CB GLU A 48 1.678 2.298 11.255 1.00 0.00 C ATOM 805 CG GLU A 48 2.253 2.678 12.624 1.00 0.00 C ATOM 806 CD GLU A 48 1.786 1.704 13.700 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.599 1.812 14.079 1.00 0.00 O ATOM 808 OE2 GLU A 48 2.611 0.856 14.101 1.00 0.00 O ATOM 0 H GLU A 48 3.410 2.638 9.667 1.00 0.00 H new ATOM 0 HA GLU A 48 2.899 0.521 11.417 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.744 3.154 10.584 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.620 2.057 11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.342 2.680 12.578 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.943 3.690 12.885 1.00 0.00 H new ATOM 815 N GLN A 49 0.806 0.673 8.847 1.00 0.00 N ATOM 816 CA GLN A 49 -0.260 -0.051 8.161 1.00 0.00 C ATOM 817 C GLN A 49 0.305 -1.019 7.114 1.00 0.00 C ATOM 818 O GLN A 49 -0.378 -1.928 6.648 1.00 0.00 O ATOM 819 CB GLN A 49 -1.248 0.943 7.537 1.00 0.00 C ATOM 820 CG GLN A 49 -2.637 0.919 8.205 1.00 0.00 C ATOM 821 CD GLN A 49 -3.357 -0.430 8.140 1.00 0.00 C ATOM 822 OE1 GLN A 49 -2.844 -1.404 7.606 1.00 0.00 O ATOM 823 NE2 GLN A 49 -4.577 -0.518 8.648 1.00 0.00 N ATOM 0 H GLN A 49 1.015 1.587 8.444 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.796 -0.656 8.892 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.835 1.949 7.608 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.358 0.718 6.476 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.527 1.206 9.251 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.265 1.674 7.732 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.004 0.294 9.093 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.090 -1.398 8.594 1.00 0.00 H new ATOM 832 N ALA A 50 1.550 -0.805 6.700 1.00 0.00 N ATOM 833 CA ALA A 50 2.243 -1.702 5.795 1.00 0.00 C ATOM 834 C ALA A 50 2.043 -3.186 6.144 1.00 0.00 C ATOM 835 O ALA A 50 1.947 -3.564 7.307 1.00 0.00 O ATOM 836 CB ALA A 50 3.710 -1.301 5.745 1.00 0.00 C ATOM 0 H ALA A 50 2.105 0.001 6.987 1.00 0.00 H new ATOM 0 HA ALA A 50 1.810 -1.601 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.246 -1.966 5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.795 -0.275 5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.141 -1.374 6.743 1.00 0.00 H new ATOM 842 N GLY A 51 1.953 -4.032 5.118 1.00 0.00 N ATOM 843 CA GLY A 51 1.673 -5.453 5.256 1.00 0.00 C ATOM 844 C GLY A 51 0.298 -5.709 5.879 1.00 0.00 C ATOM 845 O GLY A 51 0.154 -6.600 6.714 1.00 0.00 O ATOM 0 H GLY A 51 2.076 -3.738 4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.721 -5.929 4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.443 -5.916 5.874 1.00 0.00 H new ATOM 849 N GLY A 52 -0.721 -4.952 5.461 1.00 0.00 N ATOM 850 CA GLY A 52 -2.079 -5.091 5.940 1.00 0.00 C ATOM 851 C GLY A 52 -3.000 -4.248 5.065 1.00 0.00 C ATOM 852 O GLY A 52 -2.539 -3.558 4.148 1.00 0.00 O ATOM 0 H GLY A 52 -0.611 -4.214 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.384 -6.137 5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.147 -4.769 6.979 1.00 0.00 H new ATOM 856 N ASP A 53 -4.303 -4.335 5.342 1.00 0.00 N ATOM 857 CA ASP A 53 -5.305 -3.481 4.723 1.00 0.00 C ATOM 858 C ASP A 53 -5.166 -2.075 5.270 1.00 0.00 C ATOM 859 O ASP A 53 -5.558 -1.816 6.406 1.00 0.00 O ATOM 860 CB ASP A 53 -6.735 -3.991 4.946 1.00 0.00 C ATOM 861 CG ASP A 53 -7.751 -3.021 4.341 1.00 0.00 C ATOM 862 OD1 ASP A 53 -7.340 -2.206 3.478 1.00 0.00 O ATOM 863 OD2 ASP A 53 -8.928 -3.105 4.746 1.00 0.00 O ATOM 0 H ASP A 53 -4.689 -5.005 6.007 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.130 -3.491 3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.850 -4.976 4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.924 -4.106 6.013 1.00 0.00 H new ATOM 868 N ALA A 54 -4.625 -1.189 4.436 1.00 0.00 N ATOM 869 CA ALA A 54 -4.467 0.211 4.753 1.00 0.00 C ATOM 870 C ALA A 54 -5.582 1.045 4.128 1.00 0.00 C ATOM 871 O ALA A 54 -5.608 2.259 4.336 1.00 0.00 O ATOM 872 CB ALA A 54 -3.095 0.657 4.265 1.00 0.00 C ATOM 0 H ALA A 54 -4.282 -1.438 3.508 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.536 0.359 5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.953 1.713 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.323 0.071 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.025 0.507 3.188 1.00 0.00 H new ATOM 878 N THR A 55 -6.493 0.425 3.366 1.00 0.00 N ATOM 879 CA THR A 55 -7.631 1.119 2.787 1.00 0.00 C ATOM 880 C THR A 55 -8.368 1.907 3.864 1.00 0.00 C ATOM 881 O THR A 55 -8.578 3.106 3.711 1.00 0.00 O ATOM 882 CB THR A 55 -8.597 0.150 2.086 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.917 -0.833 1.334 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.474 0.976 1.151 1.00 0.00 C ATOM 0 H THR A 55 -6.454 -0.569 3.139 1.00 0.00 H new ATOM 0 HA THR A 55 -7.249 1.806 2.032 1.00 0.00 H new ATOM 0 HB THR A 55 -9.183 -0.372 2.842 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.625 -1.555 1.928 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.174 0.320 0.635 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.028 1.715 1.730 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.847 1.485 0.419 1.00 0.00 H new ATOM 892 N GLU A 56 -8.744 1.224 4.947 1.00 0.00 N ATOM 893 CA GLU A 56 -9.471 1.813 6.060 1.00 0.00 C ATOM 894 C GLU A 56 -8.839 3.139 6.500 1.00 0.00 C ATOM 895 O GLU A 56 -9.504 4.172 6.506 1.00 0.00 O ATOM 896 CB GLU A 56 -9.628 0.767 7.177 1.00 0.00 C ATOM 897 CG GLU A 56 -8.337 0.062 7.638 1.00 0.00 C ATOM 898 CD GLU A 56 -7.692 0.745 8.836 1.00 0.00 C ATOM 899 OE1 GLU A 56 -8.355 0.758 9.894 1.00 0.00 O ATOM 900 OE2 GLU A 56 -6.550 1.227 8.669 1.00 0.00 O ATOM 0 H GLU A 56 -8.546 0.231 5.072 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.480 2.087 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.079 1.254 8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.331 0.006 6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.564 -0.973 7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.626 0.038 6.812 1.00 0.00 H new ATOM 907 N ASN A 57 -7.541 3.128 6.796 1.00 0.00 N ATOM 908 CA ASN A 57 -6.811 4.304 7.272 1.00 0.00 C ATOM 909 C ASN A 57 -6.717 5.364 6.174 1.00 0.00 C ATOM 910 O ASN A 57 -6.943 6.554 6.397 1.00 0.00 O ATOM 911 CB ASN A 57 -5.396 3.902 7.738 1.00 0.00 C ATOM 912 CG ASN A 57 -5.163 4.016 9.247 1.00 0.00 C ATOM 913 OD1 ASN A 57 -6.022 4.430 10.018 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.948 3.701 9.692 1.00 0.00 N ATOM 0 H ASN A 57 -6.959 2.294 6.712 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.357 4.726 8.116 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.206 2.873 7.431 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.667 4.528 7.223 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.725 3.803 10.682 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.240 3.357 9.043 1.00 0.00 H new ATOM 921 N PHE A 58 -6.349 4.931 4.969 1.00 0.00 N ATOM 922 CA PHE A 58 -6.224 5.809 3.817 1.00 0.00 C ATOM 923 C PHE A 58 -7.522 6.589 3.574 1.00 0.00 C ATOM 924 O PHE A 58 -7.467 7.792 3.312 1.00 0.00 O ATOM 925 CB PHE A 58 -5.823 4.965 2.608 1.00 0.00 C ATOM 926 CG PHE A 58 -5.673 5.723 1.305 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.463 6.373 1.005 1.00 0.00 C ATOM 928 CD2 PHE A 58 -6.699 5.681 0.346 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.279 6.985 -0.248 1.00 0.00 C ATOM 930 CE2 PHE A 58 -6.512 6.280 -0.910 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.302 6.932 -1.211 1.00 0.00 C ATOM 0 H PHE A 58 -6.129 3.955 4.768 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.451 6.556 3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.878 4.469 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.569 4.183 2.469 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.672 6.403 1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.632 5.188 0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.353 7.495 -0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.300 6.240 -1.648 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.160 7.390 -2.179 1.00 0.00 H new ATOM 941 N GLU A 59 -8.665 5.901 3.687 1.00 0.00 N ATOM 942 CA GLU A 59 -10.006 6.438 3.481 1.00 0.00 C ATOM 943 C GLU A 59 -10.498 7.223 4.696 1.00 0.00 C ATOM 944 O GLU A 59 -11.215 8.204 4.529 1.00 0.00 O ATOM 945 CB GLU A 59 -10.980 5.297 3.158 1.00 0.00 C ATOM 946 CG GLU A 59 -10.834 4.828 1.705 1.00 0.00 C ATOM 947 CD GLU A 59 -11.485 5.807 0.732 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.734 5.809 0.696 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.734 6.494 0.009 1.00 0.00 O ATOM 0 H GLU A 59 -8.675 4.912 3.936 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.962 7.130 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.798 4.460 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.003 5.630 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.777 4.720 1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.289 3.844 1.592 1.00 0.00 H new ATOM 956 N ASP A 60 -10.114 6.818 5.911 1.00 0.00 N ATOM 957 CA ASP A 60 -10.347 7.613 7.112 1.00 0.00 C ATOM 958 C ASP A 60 -9.804 9.030 6.896 1.00 0.00 C ATOM 959 O ASP A 60 -10.525 10.014 7.056 1.00 0.00 O ATOM 960 CB ASP A 60 -9.692 6.933 8.318 1.00 0.00 C ATOM 961 CG ASP A 60 -9.783 7.806 9.560 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.803 7.680 10.270 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.830 8.587 9.771 1.00 0.00 O ATOM 0 H ASP A 60 -9.636 5.934 6.085 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.416 7.686 7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.178 5.976 8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.646 6.721 8.095 1.00 0.00 H new ATOM 968 N VAL A 61 -8.548 9.122 6.449 1.00 0.00 N ATOM 969 CA VAL A 61 -7.952 10.393 6.047 1.00 0.00 C ATOM 970 C VAL A 61 -8.546 10.888 4.715 1.00 0.00 C ATOM 971 O VAL A 61 -8.582 12.090 4.452 1.00 0.00 O ATOM 972 CB VAL A 61 -6.421 10.255 6.019 1.00 0.00 C ATOM 973 CG1 VAL A 61 -5.741 11.500 5.431 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.901 10.036 7.447 1.00 0.00 C ATOM 0 H VAL A 61 -7.922 8.322 6.357 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.195 11.163 6.779 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.180 9.403 5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.660 11.358 5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.087 11.655 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.993 12.372 6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.816 9.938 7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.178 10.887 8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.340 9.127 7.859 1.00 0.00 H new ATOM 984 N GLY A 62 -8.987 9.981 3.845 1.00 0.00 N ATOM 985 CA GLY A 62 -9.708 10.307 2.623 1.00 0.00 C ATOM 986 C GLY A 62 -8.738 10.514 1.469 1.00 0.00 C ATOM 987 O GLY A 62 -8.864 9.867 0.434 1.00 0.00 O ATOM 0 H GLY A 62 -8.848 8.979 3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.405 9.505 2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.301 11.209 2.774 1.00 0.00 H new ATOM 991 N HIS A 63 -7.772 11.420 1.666 1.00 0.00 N ATOM 992 CA HIS A 63 -6.799 11.841 0.663 1.00 0.00 C ATOM 993 C HIS A 63 -7.452 12.595 -0.506 1.00 0.00 C ATOM 994 O HIS A 63 -8.651 12.491 -0.757 1.00 0.00 O ATOM 995 CB HIS A 63 -5.955 10.663 0.147 1.00 0.00 C ATOM 996 CG HIS A 63 -4.925 10.153 1.117 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.137 9.326 2.198 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.578 10.358 1.001 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.925 9.065 2.728 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -2.938 9.661 2.025 1.00 0.00 N ATOM 0 H HIS A 63 -7.646 11.893 2.561 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.129 12.537 1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.623 9.843 -0.116 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.450 10.970 -0.769 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.036 8.979 2.532 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.093 10.958 0.245 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.764 8.456 3.605 1.00 0.00 H new ATOM 1008 N SER A 64 -6.647 13.375 -1.233 1.00 0.00 N ATOM 1009 CA SER A 64 -7.084 14.068 -2.436 1.00 0.00 C ATOM 1010 C SER A 64 -6.923 13.172 -3.666 1.00 0.00 C ATOM 1011 O SER A 64 -6.098 12.256 -3.688 1.00 0.00 O ATOM 1012 CB SER A 64 -6.269 15.351 -2.616 1.00 0.00 C ATOM 1013 OG SER A 64 -6.196 16.053 -1.392 1.00 0.00 O ATOM 0 H SER A 64 -5.669 13.541 -0.997 1.00 0.00 H new ATOM 0 HA SER A 64 -8.139 14.319 -2.329 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.266 15.108 -2.966 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.729 15.980 -3.378 1.00 0.00 H new ATOM 0 HG SER A 64 -5.672 16.872 -1.515 1.00 0.00 H new ATOM 1019 N THR A 65 -7.677 13.481 -4.719 1.00 0.00 N ATOM 1020 CA THR A 65 -7.620 12.767 -5.985 1.00 0.00 C ATOM 1021 C THR A 65 -6.197 12.731 -6.554 1.00 0.00 C ATOM 1022 O THR A 65 -5.790 11.713 -7.106 1.00 0.00 O ATOM 1023 CB THR A 65 -8.658 13.360 -6.945 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.920 13.250 -6.315 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.694 12.615 -8.283 1.00 0.00 C ATOM 0 H THR A 65 -8.353 14.245 -4.713 1.00 0.00 H new ATOM 0 HA THR A 65 -7.880 11.720 -5.829 1.00 0.00 H new ATOM 0 HB THR A 65 -8.398 14.396 -7.161 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.612 13.622 -6.901 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.443 13.069 -8.932 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.716 12.676 -8.760 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.949 11.569 -8.110 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.421 13.802 -6.370 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.991 13.839 -6.655 1.00 0.00 C ATOM 1035 C ASP A 66 -3.275 12.610 -6.089 1.00 0.00 C ATOM 1036 O ASP A 66 -2.511 11.939 -6.781 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.399 15.120 -6.054 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.816 16.352 -6.841 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -5.048 16.549 -6.939 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -2.906 17.068 -7.310 1.00 0.00 O ATOM 0 H ASP A 66 -5.781 14.686 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.848 13.831 -7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.725 15.221 -5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.312 15.047 -6.040 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.527 12.285 -4.818 1.00 0.00 N ATOM 1046 CA ALA A 67 -2.924 11.109 -4.217 1.00 0.00 C ATOM 1047 C ALA A 67 -3.439 9.858 -4.924 1.00 0.00 C ATOM 1048 O ALA A 67 -2.653 8.982 -5.273 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.219 11.054 -2.721 1.00 0.00 C ATOM 0 H ALA A 67 -4.138 12.817 -4.198 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.842 11.161 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.758 10.165 -2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.814 11.943 -2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.297 11.015 -2.564 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.756 9.767 -5.141 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.363 8.626 -5.821 1.00 0.00 C ATOM 1057 C ARG A 68 -4.712 8.357 -7.175 1.00 0.00 C ATOM 1058 O ARG A 68 -4.332 7.216 -7.440 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.882 8.799 -5.959 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.564 8.672 -4.590 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.366 7.366 -4.480 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.717 7.520 -5.040 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.609 6.528 -5.191 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -10.233 5.255 -5.024 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.876 6.816 -5.513 1.00 0.00 N ATOM 0 H ARG A 68 -5.425 10.480 -4.850 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.183 7.750 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.105 9.773 -6.394 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.279 8.047 -6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.811 8.705 -3.803 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.228 9.522 -4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.841 6.569 -5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.435 7.066 -3.434 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.999 8.454 -5.337 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.267 5.036 -4.781 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.913 4.503 -5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.161 7.787 -5.643 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.556 6.065 -5.629 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.577 9.366 -8.039 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.924 9.136 -9.316 1.00 0.00 C ATOM 1081 C GLU A 69 -2.454 8.769 -9.095 1.00 0.00 C ATOM 1082 O GLU A 69 -2.002 7.760 -9.635 1.00 0.00 O ATOM 1083 CB GLU A 69 -4.213 10.240 -10.342 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.449 11.543 -10.116 1.00 0.00 C ATOM 1085 CD GLU A 69 -2.121 11.559 -10.865 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -2.189 11.578 -12.113 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -1.073 11.517 -10.188 1.00 0.00 O ATOM 0 H GLU A 69 -4.902 10.320 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.364 8.265 -9.801 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.974 9.863 -11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.281 10.456 -10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.061 12.384 -10.443 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.266 11.677 -9.050 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.737 9.488 -8.221 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.333 9.194 -7.949 1.00 0.00 C ATOM 1096 C LEU A 70 -0.159 7.734 -7.522 1.00 0.00 C ATOM 1097 O LEU A 70 0.801 7.078 -7.918 1.00 0.00 O ATOM 1098 CB LEU A 70 0.230 10.165 -6.899 1.00 0.00 C ATOM 1099 CG LEU A 70 1.761 10.075 -6.759 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.478 10.745 -7.939 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.205 10.763 -5.464 1.00 0.00 C ATOM 0 H LEU A 70 -2.111 10.276 -7.693 1.00 0.00 H new ATOM 0 HA LEU A 70 0.237 9.337 -8.867 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.046 11.184 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.231 9.956 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 70 2.027 9.018 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.556 10.661 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.189 10.253 -8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.199 11.798 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.289 10.696 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.906 11.811 -5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.736 10.272 -4.612 1.00 0.00 H new ATOM 1113 N SER A 71 -1.113 7.204 -6.750 1.00 0.00 N ATOM 1114 CA SER A 71 -1.144 5.804 -6.354 1.00 0.00 C ATOM 1115 C SER A 71 -0.819 4.881 -7.532 1.00 0.00 C ATOM 1116 O SER A 71 -0.062 3.932 -7.361 1.00 0.00 O ATOM 1117 CB SER A 71 -2.492 5.410 -5.734 1.00 0.00 C ATOM 1118 OG SER A 71 -2.983 6.363 -4.820 1.00 0.00 O ATOM 0 H SER A 71 -1.893 7.748 -6.381 1.00 0.00 H new ATOM 0 HA SER A 71 -0.374 5.681 -5.592 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.223 5.269 -6.530 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.385 4.451 -5.227 1.00 0.00 H new ATOM 0 HG SER A 71 -3.113 7.219 -5.278 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.370 5.134 -8.728 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.108 4.285 -9.886 1.00 0.00 C ATOM 1126 C LYS A 72 0.397 4.061 -10.084 1.00 0.00 C ATOM 1127 O LYS A 72 0.827 2.927 -10.264 1.00 0.00 O ATOM 1128 CB LYS A 72 -1.751 4.857 -11.157 1.00 0.00 C ATOM 1129 CG LYS A 72 -2.881 3.981 -11.712 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.128 4.029 -10.813 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.409 3.771 -11.620 1.00 0.00 C ATOM 1132 NZ LYS A 72 -5.769 4.926 -12.474 1.00 0.00 N ATOM 0 H LYS A 72 -1.996 5.918 -8.913 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.567 3.316 -9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.143 5.851 -10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.984 4.976 -11.922 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.142 4.316 -12.716 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.534 2.951 -11.800 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.038 3.284 -10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.192 5.003 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.273 2.888 -12.244 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.231 3.555 -10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.751 4.823 -12.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.677 5.805 -11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.133 4.962 -13.296 1.00 0.00 H new ATOM 1146 N THR A 73 1.205 5.118 -10.002 1.00 0.00 N ATOM 1147 CA THR A 73 2.653 5.035 -10.135 1.00 0.00 C ATOM 1148 C THR A 73 3.285 4.082 -9.106 1.00 0.00 C ATOM 1149 O THR A 73 4.360 3.543 -9.363 1.00 0.00 O ATOM 1150 CB THR A 73 3.214 6.468 -10.082 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.955 7.101 -11.319 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.704 6.554 -9.768 1.00 0.00 C ATOM 0 H THR A 73 0.865 6.066 -9.839 1.00 0.00 H new ATOM 0 HA THR A 73 2.917 4.591 -11.094 1.00 0.00 H new ATOM 0 HB THR A 73 2.710 6.969 -9.256 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.306 8.016 -11.298 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.012 7.599 -9.751 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.897 6.103 -8.795 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.268 6.022 -10.534 1.00 0.00 H new ATOM 1160 N TYR A 74 2.633 3.856 -7.963 1.00 0.00 N ATOM 1161 CA TYR A 74 3.113 2.966 -6.913 1.00 0.00 C ATOM 1162 C TYR A 74 2.450 1.589 -6.977 1.00 0.00 C ATOM 1163 O TYR A 74 2.853 0.681 -6.247 1.00 0.00 O ATOM 1164 CB TYR A 74 2.856 3.628 -5.556 1.00 0.00 C ATOM 1165 CG TYR A 74 3.684 4.876 -5.325 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.088 4.782 -5.302 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.064 6.121 -5.111 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.868 5.937 -5.149 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.848 7.270 -4.902 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.248 7.182 -4.965 1.00 0.00 C ATOM 1171 OH TYR A 74 6.018 8.302 -4.887 1.00 0.00 O ATOM 0 H TYR A 74 1.740 4.297 -7.741 1.00 0.00 H new ATOM 0 HA TYR A 74 4.181 2.802 -7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.799 3.884 -5.480 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.068 2.909 -4.764 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.565 3.818 -5.402 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.986 6.194 -5.107 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.946 5.868 -5.173 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.374 8.218 -4.694 1.00 0.00 H new ATOM 0 HH TYR A 74 5.774 8.812 -4.087 1.00 0.00 H new ATOM 1181 N ILE A 75 1.423 1.425 -7.818 1.00 0.00 N ATOM 1182 CA ILE A 75 0.692 0.175 -7.930 1.00 0.00 C ATOM 1183 C ILE A 75 1.645 -0.885 -8.478 1.00 0.00 C ATOM 1184 O ILE A 75 2.234 -0.701 -9.541 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.593 0.387 -8.758 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.778 -0.397 -8.165 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.470 0.049 -10.252 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -3.097 0.172 -8.696 1.00 0.00 C ATOM 0 H ILE A 75 1.081 2.160 -8.437 1.00 0.00 H new ATOM 0 HA ILE A 75 0.343 -0.185 -6.962 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.770 1.461 -8.695 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.695 -1.452 -8.427 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.757 -0.336 -7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.424 0.231 -10.746 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.298 0.676 -10.705 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.196 -1.000 -10.366 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.931 -0.387 -8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.182 1.221 -8.411 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.118 0.088 -9.783 1.00 0.00 H new ATOM 1200 N ILE A 76 1.831 -1.980 -7.743 1.00 0.00 N ATOM 1201 CA ILE A 76 2.654 -3.084 -8.215 1.00 0.00 C ATOM 1202 C ILE A 76 1.749 -4.121 -8.869 1.00 0.00 C ATOM 1203 O ILE A 76 2.006 -4.522 -10.002 1.00 0.00 O ATOM 1204 CB ILE A 76 3.587 -3.628 -7.110 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.925 -3.632 -5.722 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.856 -2.756 -7.096 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.741 -4.333 -4.636 1.00 0.00 C ATOM 0 H ILE A 76 1.422 -2.123 -6.820 1.00 0.00 H new ATOM 0 HA ILE A 76 3.350 -2.740 -8.980 1.00 0.00 H new ATOM 0 HB ILE A 76 3.826 -4.668 -7.333 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.745 -2.602 -5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.952 -4.117 -5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.536 -3.116 -6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.347 -2.812 -8.068 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.584 -1.721 -6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.201 -4.289 -3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.900 -5.375 -4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.705 -3.836 -4.527 1.00 0.00 H new ATOM 1219 N GLY A 77 0.676 -4.519 -8.183 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.333 -5.418 -8.717 1.00 0.00 C ATOM 1221 C GLY A 77 -1.506 -5.425 -7.747 1.00 0.00 C ATOM 1222 O GLY A 77 -1.966 -4.356 -7.339 1.00 0.00 O ATOM 0 H GLY A 77 0.486 -4.218 -7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.655 -5.088 -9.705 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.073 -6.423 -8.834 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.986 -6.605 -7.349 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.217 -6.703 -6.584 1.00 0.00 C ATOM 1228 C GLU A 78 -3.268 -7.995 -5.771 1.00 0.00 C ATOM 1229 O GLU A 78 -2.384 -8.845 -5.867 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.424 -6.480 -7.513 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.615 -7.593 -8.550 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.428 -7.115 -9.751 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -4.977 -6.136 -10.384 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -6.486 -7.727 -10.026 1.00 0.00 O ATOM 0 H GLU A 78 -1.538 -7.500 -7.546 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.254 -5.911 -5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.327 -6.400 -6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.302 -5.529 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.641 -7.946 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.118 -8.441 -8.085 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.287 -8.104 -4.919 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.516 -9.279 -4.094 1.00 0.00 C ATOM 1243 C LEU A 79 -4.862 -10.465 -4.992 1.00 0.00 C ATOM 1244 O LEU A 79 -5.680 -10.322 -5.901 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.638 -8.975 -3.091 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.055 -8.354 -1.812 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.983 -7.279 -1.244 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.827 -9.449 -0.764 1.00 0.00 C ATOM 0 H LEU A 79 -4.981 -7.369 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.619 -9.537 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.360 -8.292 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.175 -9.892 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.105 -7.883 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.543 -6.859 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.119 -6.489 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.950 -7.722 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.414 -9.005 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.776 -9.933 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.129 -10.189 -1.157 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.218 -11.612 -4.749 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.393 -12.842 -5.512 1.00 0.00 C ATOM 1262 C HIS A 80 -5.882 -13.124 -5.758 1.00 0.00 C ATOM 1263 O HIS A 80 -6.680 -12.936 -4.842 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.708 -13.987 -4.751 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.304 -15.152 -5.611 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.875 -16.403 -5.610 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.274 -15.167 -6.513 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.233 -17.141 -6.529 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.252 -16.430 -7.111 1.00 0.00 N ATOM 0 H HIS A 80 -3.541 -11.707 -3.992 1.00 0.00 H new ATOM 0 HA HIS A 80 -3.931 -12.744 -6.494 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.822 -13.596 -4.252 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.382 -14.343 -3.972 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.600 -14.350 -6.724 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.472 -18.167 -6.768 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.618 -16.749 -7.843 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.288 -13.560 -6.966 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.699 -13.655 -7.306 1.00 0.00 C ATOM 1279 C PRO A 81 -8.403 -14.675 -6.409 1.00 0.00 C ATOM 1280 O PRO A 81 -9.581 -14.508 -6.094 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.766 -14.002 -8.795 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.386 -14.556 -9.151 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.455 -14.105 -8.027 1.00 0.00 C ATOM 0 HA PRO A 81 -8.227 -12.717 -7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.546 -14.738 -8.991 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.001 -13.121 -9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.409 -15.643 -9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.048 -14.175 -10.115 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.864 -14.943 -7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.753 -13.354 -8.388 1.00 0.00 H new