USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 26 SER OG : rot 180:sc= -1.39 USER MOD Single : A 30 GLN : amide:sc= -2.48 K(o=-2.5,f=-7.4!) USER MOD Single : A 31 CYS SG : rot -140:sc= -5.59! USER MOD Single : A 34 ASN : amide:sc= -1.6 K(o=-1.6,f=-3.5!) USER MOD Single : A 36 ASN : amide:sc= -13.5! C(o=-14!,f=-22!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= -2.29! (180deg=-3.05!) USER MOD Single : A 47 HIS : no HD1:sc= -0.857 K(o=-0.86,f=-1.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.673! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.648 K(o=0.65,f=-0.2) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.176! USER MOD Single : A 70 LYS NZ :NH3+ -175:sc= -2.21! (180deg=-2.71!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -144:sc= -0.0716 (180deg=-0.703) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 24 -6.232 6.200 -1.211 1.00 0.00 N ATOM 116 CA PRO A 24 -5.453 7.429 -0.944 1.00 0.00 C ATOM 117 C PRO A 24 -4.424 7.117 0.139 1.00 0.00 C ATOM 118 O PRO A 24 -4.404 7.722 1.192 1.00 0.00 O ATOM 119 CB PRO A 24 -6.506 8.423 -0.455 1.00 0.00 C ATOM 120 CG PRO A 24 -7.607 7.563 0.077 1.00 0.00 C ATOM 121 CD PRO A 24 -7.629 6.329 -0.785 1.00 0.00 C ATOM 0 HA PRO A 24 -4.906 7.818 -1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.105 9.079 0.318 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.857 9.062 -1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.430 7.305 1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.563 8.084 0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.964 5.454 -0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.302 6.442 -1.635 1.00 0.00 H new ATOM 129 N ILE A 25 -3.575 6.157 -0.116 1.00 0.00 N ATOM 130 CA ILE A 25 -2.556 5.773 0.884 1.00 0.00 C ATOM 131 C ILE A 25 -1.415 6.777 0.874 1.00 0.00 C ATOM 132 O ILE A 25 -0.446 6.640 1.593 1.00 0.00 O ATOM 133 CB ILE A 25 -2.069 4.393 0.446 1.00 0.00 C ATOM 134 CG1 ILE A 25 -1.296 4.510 -0.869 1.00 0.00 C ATOM 135 CG2 ILE A 25 -3.272 3.474 0.244 1.00 0.00 C ATOM 136 CD1 ILE A 25 0.023 3.745 -0.752 1.00 0.00 C ATOM 0 H ILE A 25 -3.550 5.622 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.954 5.755 1.899 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.414 3.981 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.890 4.109 -1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.102 5.558 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.928 2.488 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.824 3.386 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.924 3.891 -0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.575 3.827 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.618 4.167 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.183 2.695 -0.543 1.00 0.00 H new ATOM 148 N SER A 26 -1.526 7.785 0.059 1.00 0.00 N ATOM 149 CA SER A 26 -0.446 8.808 -0.003 1.00 0.00 C ATOM 150 C SER A 26 0.053 9.125 1.408 1.00 0.00 C ATOM 151 O SER A 26 1.180 8.845 1.753 1.00 0.00 O ATOM 152 CB SER A 26 -1.093 10.041 -0.636 1.00 0.00 C ATOM 153 OG SER A 26 -1.571 9.709 -1.934 1.00 0.00 O ATOM 0 H SER A 26 -2.316 7.946 -0.566 1.00 0.00 H new ATOM 0 HA SER A 26 0.414 8.467 -0.579 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.915 10.395 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.369 10.853 -0.700 1.00 0.00 H new ATOM 0 HG SER A 26 -1.987 10.497 -2.341 1.00 0.00 H new ATOM 159 N ARG A 27 -0.778 9.701 2.227 1.00 0.00 N ATOM 160 CA ARG A 27 -0.349 10.035 3.614 1.00 0.00 C ATOM 161 C ARG A 27 -0.072 8.765 4.429 1.00 0.00 C ATOM 162 O ARG A 27 0.719 8.770 5.350 1.00 0.00 O ATOM 163 CB ARG A 27 -1.538 10.793 4.205 1.00 0.00 C ATOM 164 CG ARG A 27 -1.084 11.598 5.424 1.00 0.00 C ATOM 165 CD ARG A 27 -2.315 12.099 6.184 1.00 0.00 C ATOM 166 NE ARG A 27 -1.821 13.224 7.026 1.00 0.00 N ATOM 167 CZ ARG A 27 -2.666 13.963 7.696 1.00 0.00 C ATOM 168 NH1 ARG A 27 -3.949 13.722 7.627 1.00 0.00 N ATOM 169 NH2 ARG A 27 -2.228 14.945 8.438 1.00 0.00 N ATOM 0 H ARG A 27 -1.738 9.956 1.997 1.00 0.00 H new ATOM 0 HA ARG A 27 0.574 10.615 3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.965 11.460 3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.322 10.092 4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.467 10.978 6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.468 12.441 5.109 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.093 12.433 5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.748 11.309 6.797 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.821 13.418 7.080 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.294 12.955 7.049 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.605 14.301 8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.227 15.135 8.494 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.887 15.522 8.961 1.00 0.00 H new ATOM 183 N LEU A 28 -0.729 7.685 4.111 1.00 0.00 N ATOM 184 CA LEU A 28 -0.524 6.422 4.883 1.00 0.00 C ATOM 185 C LEU A 28 0.940 5.962 4.866 1.00 0.00 C ATOM 186 O LEU A 28 1.649 6.087 5.844 1.00 0.00 O ATOM 187 CB LEU A 28 -1.414 5.391 4.187 1.00 0.00 C ATOM 188 CG LEU A 28 -2.825 5.455 4.775 1.00 0.00 C ATOM 189 CD1 LEU A 28 -2.772 5.157 6.276 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.405 6.855 4.560 1.00 0.00 C ATOM 0 H LEU A 28 -1.402 7.620 3.347 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.775 6.560 5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.446 5.587 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.000 4.391 4.316 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.454 4.716 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.778 5.203 6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.359 4.161 6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.140 5.895 6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.410 6.901 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.772 7.591 5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.447 7.072 3.493 1.00 0.00 H new ATOM 202 N GLU A 29 1.386 5.394 3.779 1.00 0.00 N ATOM 203 CA GLU A 29 2.790 4.885 3.719 1.00 0.00 C ATOM 204 C GLU A 29 3.800 6.012 3.484 1.00 0.00 C ATOM 205 O GLU A 29 4.857 6.039 4.083 1.00 0.00 O ATOM 206 CB GLU A 29 2.796 3.893 2.541 1.00 0.00 C ATOM 207 CG GLU A 29 3.075 4.616 1.214 1.00 0.00 C ATOM 208 CD GLU A 29 3.310 3.581 0.114 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.031 2.631 0.369 1.00 0.00 O ATOM 210 OE2 GLU A 29 2.774 3.759 -0.967 1.00 0.00 O ATOM 0 H GLU A 29 0.840 5.259 2.928 1.00 0.00 H new ATOM 0 HA GLU A 29 3.086 4.422 4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.554 3.128 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.835 3.382 2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.233 5.257 0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.948 5.261 1.315 1.00 0.00 H new ATOM 217 N GLN A 30 3.515 6.917 2.591 1.00 0.00 N ATOM 218 CA GLN A 30 4.503 7.993 2.314 1.00 0.00 C ATOM 219 C GLN A 30 4.880 8.729 3.608 1.00 0.00 C ATOM 220 O GLN A 30 6.001 9.166 3.773 1.00 0.00 O ATOM 221 CB GLN A 30 3.832 8.917 1.282 1.00 0.00 C ATOM 222 CG GLN A 30 3.354 10.222 1.930 1.00 0.00 C ATOM 223 CD GLN A 30 2.754 11.126 0.853 1.00 0.00 C ATOM 224 OE1 GLN A 30 1.842 10.733 0.152 1.00 0.00 O ATOM 225 NE2 GLN A 30 3.233 12.329 0.684 1.00 0.00 N ATOM 0 H GLN A 30 2.653 6.958 2.048 1.00 0.00 H new ATOM 0 HA GLN A 30 5.441 7.602 1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.536 9.143 0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.985 8.403 0.827 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.611 10.010 2.699 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.187 10.725 2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.998 12.660 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.842 12.937 -0.035 1.00 0.00 H new ATOM 234 N CYS A 31 3.968 8.859 4.533 1.00 0.00 N ATOM 235 CA CYS A 31 4.320 9.552 5.807 1.00 0.00 C ATOM 236 C CYS A 31 5.093 8.584 6.696 1.00 0.00 C ATOM 237 O CYS A 31 5.714 8.971 7.667 1.00 0.00 O ATOM 238 CB CYS A 31 2.989 9.927 6.455 1.00 0.00 C ATOM 239 SG CYS A 31 2.144 11.156 5.431 1.00 0.00 S ATOM 0 H CYS A 31 3.008 8.521 4.465 1.00 0.00 H new ATOM 0 HA CYS A 31 4.940 10.434 5.648 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.365 9.041 6.567 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.159 10.326 7.455 1.00 0.00 H new ATOM 0 HG CYS A 31 1.584 12.046 6.195 1.00 0.00 H new ATOM 245 N GLY A 32 5.069 7.323 6.362 1.00 0.00 N ATOM 246 CA GLY A 32 5.810 6.324 7.173 1.00 0.00 C ATOM 247 C GLY A 32 4.837 5.324 7.799 1.00 0.00 C ATOM 248 O GLY A 32 4.685 5.275 9.004 1.00 0.00 O ATOM 0 H GLY A 32 4.566 6.943 5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.530 5.798 6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.377 6.829 7.955 1.00 0.00 H new ATOM 252 N ILE A 33 4.199 4.501 7.006 1.00 0.00 N ATOM 253 CA ILE A 33 3.276 3.498 7.595 1.00 0.00 C ATOM 254 C ILE A 33 4.132 2.347 8.129 1.00 0.00 C ATOM 255 O ILE A 33 5.059 2.561 8.884 1.00 0.00 O ATOM 256 CB ILE A 33 2.339 3.054 6.446 1.00 0.00 C ATOM 257 CG1 ILE A 33 1.194 2.214 7.018 1.00 0.00 C ATOM 258 CG2 ILE A 33 3.104 2.227 5.399 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.142 2.773 6.526 1.00 0.00 C ATOM 0 H ILE A 33 4.279 4.483 5.989 1.00 0.00 H new ATOM 0 HA ILE A 33 2.675 3.878 8.421 1.00 0.00 H new ATOM 0 HB ILE A 33 1.943 3.946 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.302 1.174 6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.227 2.228 8.107 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.422 1.928 4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.911 2.828 4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.522 1.338 5.872 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.958 2.176 6.933 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.248 3.806 6.857 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.173 2.736 5.437 1.00 0.00 H new ATOM 271 N ASN A 34 3.858 1.146 7.745 1.00 0.00 N ATOM 272 CA ASN A 34 4.686 0.007 8.229 1.00 0.00 C ATOM 273 C ASN A 34 5.962 -0.094 7.381 1.00 0.00 C ATOM 274 O ASN A 34 6.633 0.890 7.141 1.00 0.00 O ATOM 275 CB ASN A 34 3.802 -1.226 8.055 1.00 0.00 C ATOM 276 CG ASN A 34 4.324 -2.357 8.942 1.00 0.00 C ATOM 277 OD1 ASN A 34 5.443 -2.307 9.414 1.00 0.00 O ATOM 278 ND2 ASN A 34 3.556 -3.380 9.194 1.00 0.00 N ATOM 0 H ASN A 34 3.096 0.894 7.115 1.00 0.00 H new ATOM 0 HA ASN A 34 5.004 0.120 9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.772 -0.988 8.319 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.799 -1.540 7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.894 -4.138 9.787 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.617 -3.422 8.798 1.00 0.00 H new ATOM 285 N ALA A 35 6.303 -1.267 6.915 1.00 0.00 N ATOM 286 CA ALA A 35 7.534 -1.399 6.081 1.00 0.00 C ATOM 287 C ALA A 35 7.287 -0.818 4.691 1.00 0.00 C ATOM 288 O ALA A 35 8.207 -0.555 3.943 1.00 0.00 O ATOM 289 CB ALA A 35 7.798 -2.902 5.975 1.00 0.00 C ATOM 0 H ALA A 35 5.787 -2.133 7.074 1.00 0.00 H new ATOM 0 HA ALA A 35 8.379 -0.866 6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.691 -3.073 5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.947 -3.316 6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.944 -3.389 5.504 1.00 0.00 H new ATOM 295 N ASN A 36 6.048 -0.630 4.333 1.00 0.00 N ATOM 296 CA ASN A 36 5.747 -0.084 2.983 1.00 0.00 C ATOM 297 C ASN A 36 6.549 1.172 2.709 1.00 0.00 C ATOM 298 O ASN A 36 7.390 1.191 1.832 1.00 0.00 O ATOM 299 CB ASN A 36 4.267 0.280 2.983 1.00 0.00 C ATOM 300 CG ASN A 36 3.415 -0.959 3.257 1.00 0.00 C ATOM 301 OD1 ASN A 36 2.979 -1.621 2.338 1.00 0.00 O ATOM 302 ND2 ASN A 36 3.151 -1.296 4.491 1.00 0.00 N ATOM 0 H ASN A 36 5.234 -0.830 4.915 1.00 0.00 H new ATOM 0 HA ASN A 36 5.998 -0.820 2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.072 1.038 3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.992 0.713 2.021 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.577 -2.117 4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.519 -0.738 5.262 1.00 0.00 H new ATOM 309 N ASP A 37 6.258 2.231 3.425 1.00 0.00 N ATOM 310 CA ASP A 37 6.963 3.524 3.197 1.00 0.00 C ATOM 311 C ASP A 37 8.343 3.284 2.593 1.00 0.00 C ATOM 312 O ASP A 37 8.556 3.457 1.408 1.00 0.00 O ATOM 313 CB ASP A 37 7.091 4.156 4.584 1.00 0.00 C ATOM 314 CG ASP A 37 7.993 5.387 4.498 1.00 0.00 C ATOM 315 OD1 ASP A 37 7.507 6.426 4.079 1.00 0.00 O ATOM 316 OD2 ASP A 37 9.155 5.272 4.851 1.00 0.00 O ATOM 0 H ASP A 37 5.555 2.251 4.164 1.00 0.00 H new ATOM 0 HA ASP A 37 6.423 4.166 2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.107 4.437 4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.507 3.435 5.288 1.00 0.00 H new ATOM 321 N VAL A 38 9.264 2.864 3.400 1.00 0.00 N ATOM 322 CA VAL A 38 10.640 2.595 2.909 1.00 0.00 C ATOM 323 C VAL A 38 10.659 1.702 1.660 1.00 0.00 C ATOM 324 O VAL A 38 11.188 2.078 0.637 1.00 0.00 O ATOM 325 CB VAL A 38 11.323 1.874 4.072 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.807 1.684 3.752 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.180 2.710 5.346 1.00 0.00 C ATOM 0 H VAL A 38 9.123 2.692 4.395 1.00 0.00 H new ATOM 0 HA VAL A 38 11.136 3.520 2.615 1.00 0.00 H new ATOM 0 HB VAL A 38 10.855 0.901 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.295 1.170 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.910 1.089 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.275 2.657 3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.667 2.196 6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.648 3.683 5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.123 2.847 5.575 1.00 0.00 H new ATOM 337 N LYS A 39 10.137 0.508 1.732 1.00 0.00 N ATOM 338 CA LYS A 39 10.217 -0.395 0.542 1.00 0.00 C ATOM 339 C LYS A 39 9.113 -0.140 -0.487 1.00 0.00 C ATOM 340 O LYS A 39 9.388 0.180 -1.630 1.00 0.00 O ATOM 341 CB LYS A 39 10.089 -1.804 1.119 1.00 0.00 C ATOM 342 CG LYS A 39 11.441 -2.244 1.681 1.00 0.00 C ATOM 343 CD LYS A 39 11.446 -2.065 3.201 1.00 0.00 C ATOM 344 CE LYS A 39 10.768 -3.269 3.860 1.00 0.00 C ATOM 345 NZ LYS A 39 11.648 -3.620 5.009 1.00 0.00 N ATOM 0 H LYS A 39 9.665 0.120 2.549 1.00 0.00 H new ATOM 0 HA LYS A 39 11.148 -0.230 -0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.333 -1.821 1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.761 -2.498 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.630 -3.287 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.242 -1.656 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.470 -1.968 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.924 -1.147 3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.761 -3.021 4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.677 -4.102 3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.251 -4.438 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.598 -3.857 4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.711 -2.810 5.658 1.00 0.00 H new ATOM 359 N LYS A 40 7.878 -0.319 -0.110 1.00 0.00 N ATOM 360 CA LYS A 40 6.762 -0.134 -1.083 1.00 0.00 C ATOM 361 C LYS A 40 7.018 1.041 -2.027 1.00 0.00 C ATOM 362 O LYS A 40 7.068 0.876 -3.227 1.00 0.00 O ATOM 363 CB LYS A 40 5.525 0.152 -0.244 1.00 0.00 C ATOM 364 CG LYS A 40 4.571 -1.046 -0.298 1.00 0.00 C ATOM 365 CD LYS A 40 3.337 -0.672 -1.118 1.00 0.00 C ATOM 366 CE LYS A 40 2.752 0.634 -0.587 1.00 0.00 C ATOM 367 NZ LYS A 40 1.277 0.484 -0.730 1.00 0.00 N ATOM 0 H LYS A 40 7.591 -0.586 0.832 1.00 0.00 H new ATOM 0 HA LYS A 40 6.653 -1.021 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.813 0.353 0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.022 1.046 -0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.072 -1.905 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.277 -1.337 0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.605 -0.563 -2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.593 -1.467 -1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.033 0.798 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.118 1.490 -1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.797 1.146 -0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.000 0.691 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.002 -0.490 -0.491 1.00 0.00 H new ATOM 381 N LEU A 41 7.130 2.233 -1.507 1.00 0.00 N ATOM 382 CA LEU A 41 7.303 3.413 -2.407 1.00 0.00 C ATOM 383 C LEU A 41 8.748 3.693 -2.825 1.00 0.00 C ATOM 384 O LEU A 41 8.974 4.455 -3.743 1.00 0.00 O ATOM 385 CB LEU A 41 6.742 4.589 -1.607 1.00 0.00 C ATOM 386 CG LEU A 41 7.810 5.119 -0.640 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.512 6.336 -1.249 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.148 5.524 0.681 1.00 0.00 C ATOM 0 H LEU A 41 7.110 2.442 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 41 6.791 3.233 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.426 5.383 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.859 4.274 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 41 8.545 4.335 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.268 6.705 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.989 6.050 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.780 7.121 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.906 5.900 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.409 6.303 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.657 4.657 1.123 1.00 0.00 H new ATOM 400 N GLU A 42 9.737 3.153 -2.179 1.00 0.00 N ATOM 401 CA GLU A 42 11.110 3.519 -2.615 1.00 0.00 C ATOM 402 C GLU A 42 11.463 2.926 -3.982 1.00 0.00 C ATOM 403 O GLU A 42 11.862 3.640 -4.881 1.00 0.00 O ATOM 404 CB GLU A 42 12.057 2.991 -1.543 1.00 0.00 C ATOM 405 CG GLU A 42 13.504 3.122 -2.024 1.00 0.00 C ATOM 406 CD GLU A 42 13.730 4.522 -2.597 1.00 0.00 C ATOM 407 OE1 GLU A 42 13.617 5.476 -1.843 1.00 0.00 O ATOM 408 OE2 GLU A 42 14.015 4.618 -3.781 1.00 0.00 O ATOM 0 H GLU A 42 9.664 2.500 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 42 11.190 4.600 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.920 3.548 -0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.829 1.948 -1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.190 2.942 -1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.715 2.369 -2.783 1.00 0.00 H new ATOM 415 N GLU A 43 11.343 1.641 -4.162 1.00 0.00 N ATOM 416 CA GLU A 43 11.700 1.060 -5.487 1.00 0.00 C ATOM 417 C GLU A 43 10.736 1.591 -6.554 1.00 0.00 C ATOM 418 O GLU A 43 11.064 1.666 -7.721 1.00 0.00 O ATOM 419 CB GLU A 43 11.587 -0.461 -5.292 1.00 0.00 C ATOM 420 CG GLU A 43 10.692 -1.092 -6.367 1.00 0.00 C ATOM 421 CD GLU A 43 11.322 -0.887 -7.748 1.00 0.00 C ATOM 422 OE1 GLU A 43 12.487 -0.530 -7.797 1.00 0.00 O ATOM 423 OE2 GLU A 43 10.627 -1.091 -8.729 1.00 0.00 O ATOM 0 H GLU A 43 11.018 0.975 -3.461 1.00 0.00 H new ATOM 0 HA GLU A 43 12.700 1.329 -5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.579 -0.910 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.179 -0.675 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.564 -2.156 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.700 -0.641 -6.339 1.00 0.00 H new ATOM 430 N ALA A 44 9.553 1.957 -6.157 1.00 0.00 N ATOM 431 CA ALA A 44 8.567 2.480 -7.140 1.00 0.00 C ATOM 432 C ALA A 44 8.022 3.830 -6.676 1.00 0.00 C ATOM 433 O ALA A 44 8.379 4.870 -7.192 1.00 0.00 O ATOM 434 CB ALA A 44 7.450 1.444 -7.159 1.00 0.00 C ATOM 0 H ALA A 44 9.225 1.917 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 44 9.008 2.633 -8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.678 1.755 -7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.854 0.479 -7.466 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.018 1.356 -6.162 1.00 0.00 H new ATOM 440 N GLY A 45 7.153 3.815 -5.706 1.00 0.00 N ATOM 441 CA GLY A 45 6.573 5.087 -5.205 1.00 0.00 C ATOM 442 C GLY A 45 5.050 4.966 -5.170 1.00 0.00 C ATOM 443 O GLY A 45 4.342 5.795 -5.704 1.00 0.00 O ATOM 0 H GLY A 45 6.819 2.973 -5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.955 5.307 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.869 5.914 -5.850 1.00 0.00 H new ATOM 447 N PHE A 46 4.536 3.940 -4.543 1.00 0.00 N ATOM 448 CA PHE A 46 3.037 3.787 -4.483 1.00 0.00 C ATOM 449 C PHE A 46 2.437 4.672 -3.386 1.00 0.00 C ATOM 450 O PHE A 46 1.390 4.368 -2.852 1.00 0.00 O ATOM 451 CB PHE A 46 2.744 2.320 -4.146 1.00 0.00 C ATOM 452 CG PHE A 46 3.567 1.413 -5.012 1.00 0.00 C ATOM 453 CD1 PHE A 46 4.857 1.102 -4.617 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.044 0.884 -6.200 1.00 0.00 C ATOM 455 CE1 PHE A 46 5.645 0.267 -5.395 1.00 0.00 C ATOM 456 CE2 PHE A 46 3.835 0.039 -6.989 1.00 0.00 C ATOM 457 CZ PHE A 46 5.141 -0.268 -6.588 1.00 0.00 C ATOM 0 H PHE A 46 5.072 3.209 -4.075 1.00 0.00 H new ATOM 0 HA PHE A 46 2.599 4.082 -5.437 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.965 2.130 -3.096 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.684 2.111 -4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.251 1.512 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.037 1.127 -6.505 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.650 0.028 -5.080 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.438 -0.375 -7.904 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.757 -0.914 -7.196 1.00 0.00 H new ATOM 467 N HIS A 47 3.079 5.751 -3.035 1.00 0.00 N ATOM 468 CA HIS A 47 2.513 6.626 -1.964 1.00 0.00 C ATOM 469 C HIS A 47 1.190 7.248 -2.429 1.00 0.00 C ATOM 470 O HIS A 47 1.074 8.448 -2.573 1.00 0.00 O ATOM 471 CB HIS A 47 3.564 7.713 -1.721 1.00 0.00 C ATOM 472 CG HIS A 47 4.033 8.268 -3.033 1.00 0.00 C ATOM 473 ND1 HIS A 47 5.236 7.888 -3.605 1.00 0.00 N ATOM 474 CD2 HIS A 47 3.475 9.174 -3.898 1.00 0.00 C ATOM 475 CE1 HIS A 47 5.361 8.558 -4.764 1.00 0.00 C ATOM 476 NE2 HIS A 47 4.315 9.356 -4.993 1.00 0.00 N ATOM 0 H HIS A 47 3.962 6.065 -3.437 1.00 0.00 H new ATOM 0 HA HIS A 47 2.299 6.066 -1.054 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.142 8.510 -1.109 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.407 7.299 -1.168 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.527 9.671 -3.752 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.206 8.462 -5.430 1.00 0.00 H new ATOM 0 HE2 HIS A 47 4.164 9.966 -5.796 1.00 0.00 H new ATOM 484 N THR A 48 0.196 6.433 -2.660 1.00 0.00 N ATOM 485 CA THR A 48 -1.132 6.952 -3.110 1.00 0.00 C ATOM 486 C THR A 48 -1.987 5.803 -3.651 1.00 0.00 C ATOM 487 O THR A 48 -1.575 4.661 -3.654 1.00 0.00 O ATOM 488 CB THR A 48 -0.833 7.958 -4.231 1.00 0.00 C ATOM 489 OG1 THR A 48 -1.999 8.132 -5.027 1.00 0.00 O ATOM 490 CG2 THR A 48 0.307 7.437 -5.111 1.00 0.00 C ATOM 0 H THR A 48 0.246 5.420 -2.556 1.00 0.00 H new ATOM 0 HA THR A 48 -1.681 7.415 -2.291 1.00 0.00 H new ATOM 0 HB THR A 48 -0.538 8.910 -3.790 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.813 8.775 -5.743 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.513 8.156 -5.904 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.202 7.300 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.019 6.483 -5.553 1.00 0.00 H new ATOM 498 N VAL A 49 -3.175 6.105 -4.112 1.00 0.00 N ATOM 499 CA VAL A 49 -4.077 5.044 -4.666 1.00 0.00 C ATOM 500 C VAL A 49 -3.274 3.979 -5.416 1.00 0.00 C ATOM 501 O VAL A 49 -3.666 2.832 -5.492 1.00 0.00 O ATOM 502 CB VAL A 49 -5.018 5.785 -5.618 1.00 0.00 C ATOM 503 CG1 VAL A 49 -4.301 6.074 -6.939 1.00 0.00 C ATOM 504 CG2 VAL A 49 -6.248 4.918 -5.889 1.00 0.00 C ATOM 0 H VAL A 49 -3.563 7.048 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.619 4.519 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.323 6.727 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.977 6.602 -7.612 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.423 6.691 -6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.992 5.135 -7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.921 5.443 -6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.937 3.977 -6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.764 4.715 -4.951 1.00 0.00 H new ATOM 514 N GLU A 50 -2.152 4.344 -5.968 1.00 0.00 N ATOM 515 CA GLU A 50 -1.330 3.349 -6.703 1.00 0.00 C ATOM 516 C GLU A 50 -1.252 2.032 -5.921 1.00 0.00 C ATOM 517 O GLU A 50 -1.019 0.981 -6.483 1.00 0.00 O ATOM 518 CB GLU A 50 0.055 3.988 -6.811 1.00 0.00 C ATOM 519 CG GLU A 50 0.888 3.233 -7.846 1.00 0.00 C ATOM 520 CD GLU A 50 1.270 4.179 -8.985 1.00 0.00 C ATOM 521 OE1 GLU A 50 2.232 4.911 -8.822 1.00 0.00 O ATOM 522 OE2 GLU A 50 0.593 4.157 -9.999 1.00 0.00 O ATOM 0 H GLU A 50 -1.770 5.289 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.751 3.110 -7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.038 5.035 -7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.553 3.966 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.786 2.828 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.322 2.387 -8.236 1.00 0.00 H new ATOM 529 N ALA A 51 -1.443 2.076 -4.628 1.00 0.00 N ATOM 530 CA ALA A 51 -1.376 0.822 -3.823 1.00 0.00 C ATOM 531 C ALA A 51 -2.129 -0.310 -4.532 1.00 0.00 C ATOM 532 O ALA A 51 -1.830 -1.473 -4.350 1.00 0.00 O ATOM 533 CB ALA A 51 -2.050 1.166 -2.495 1.00 0.00 C ATOM 0 H ALA A 51 -1.642 2.924 -4.097 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.351 0.478 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.041 0.291 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.510 1.982 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.080 1.471 -2.678 1.00 0.00 H new ATOM 539 N VAL A 52 -3.104 0.020 -5.333 1.00 0.00 N ATOM 540 CA VAL A 52 -3.878 -1.041 -6.043 1.00 0.00 C ATOM 541 C VAL A 52 -4.069 -0.672 -7.518 1.00 0.00 C ATOM 542 O VAL A 52 -5.111 -0.188 -7.911 1.00 0.00 O ATOM 543 CB VAL A 52 -5.227 -1.086 -5.325 1.00 0.00 C ATOM 544 CG1 VAL A 52 -5.929 0.266 -5.479 1.00 0.00 C ATOM 545 CG2 VAL A 52 -6.100 -2.182 -5.941 1.00 0.00 C ATOM 0 H VAL A 52 -3.399 0.977 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.368 -2.004 -6.025 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.068 -1.299 -4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.891 0.237 -4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.310 1.049 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.086 0.476 -6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.061 -2.213 -5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.259 -1.969 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.602 -3.146 -5.836 1.00 0.00 H new ATOM 555 N ALA A 53 -3.077 -0.901 -8.336 1.00 0.00 N ATOM 556 CA ALA A 53 -3.215 -0.564 -9.784 1.00 0.00 C ATOM 557 C ALA A 53 -1.883 -0.766 -10.514 1.00 0.00 C ATOM 558 O ALA A 53 -0.851 -0.956 -9.904 1.00 0.00 O ATOM 559 CB ALA A 53 -3.620 0.911 -9.815 1.00 0.00 C ATOM 0 H ALA A 53 -2.180 -1.305 -8.067 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.947 -1.201 -10.281 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.741 1.233 -10.849 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.562 1.041 -9.282 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.846 1.511 -9.336 1.00 0.00 H new ATOM 565 N TYR A 54 -1.905 -0.722 -11.820 1.00 0.00 N ATOM 566 CA TYR A 54 -0.649 -0.902 -12.610 1.00 0.00 C ATOM 567 C TYR A 54 -0.038 -2.284 -12.361 1.00 0.00 C ATOM 568 O TYR A 54 -0.042 -3.137 -13.226 1.00 0.00 O ATOM 569 CB TYR A 54 0.299 0.194 -12.120 1.00 0.00 C ATOM 570 CG TYR A 54 -0.384 1.536 -12.226 1.00 0.00 C ATOM 571 CD1 TYR A 54 -0.387 2.224 -13.447 1.00 0.00 C ATOM 572 CD2 TYR A 54 -1.009 2.094 -11.106 1.00 0.00 C ATOM 573 CE1 TYR A 54 -1.020 3.470 -13.546 1.00 0.00 C ATOM 574 CE2 TYR A 54 -1.642 3.340 -11.207 1.00 0.00 C ATOM 575 CZ TYR A 54 -1.647 4.026 -12.426 1.00 0.00 C ATOM 576 OH TYR A 54 -2.269 5.253 -12.524 1.00 0.00 O ATOM 0 H TYR A 54 -2.745 -0.568 -12.378 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.838 -0.833 -13.681 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.590 0.003 -11.087 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.213 0.191 -12.714 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.098 1.794 -14.311 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.004 1.565 -10.164 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.024 4.001 -14.487 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.126 3.771 -10.343 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.655 5.494 -11.656 1.00 0.00 H new ATOM 586 N ALA A 55 0.499 -2.510 -11.194 1.00 0.00 N ATOM 587 CA ALA A 55 1.122 -3.835 -10.908 1.00 0.00 C ATOM 588 C ALA A 55 0.404 -4.538 -9.751 1.00 0.00 C ATOM 589 O ALA A 55 -0.240 -3.903 -8.938 1.00 0.00 O ATOM 590 CB ALA A 55 2.566 -3.512 -10.522 1.00 0.00 C ATOM 0 H ALA A 55 0.534 -1.838 -10.428 1.00 0.00 H new ATOM 0 HA ALA A 55 1.061 -4.507 -11.764 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.097 -4.436 -10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.059 -3.004 -11.351 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.572 -2.865 -9.645 1.00 0.00 H new ATOM 596 N PRO A 56 0.550 -5.836 -9.718 1.00 0.00 N ATOM 597 CA PRO A 56 -0.081 -6.653 -8.651 1.00 0.00 C ATOM 598 C PRO A 56 0.639 -6.428 -7.320 1.00 0.00 C ATOM 599 O PRO A 56 1.843 -6.555 -7.225 1.00 0.00 O ATOM 600 CB PRO A 56 0.107 -8.088 -9.140 1.00 0.00 C ATOM 601 CG PRO A 56 1.293 -8.033 -10.046 1.00 0.00 C ATOM 602 CD PRO A 56 1.310 -6.659 -10.665 1.00 0.00 C ATOM 0 HA PRO A 56 -1.128 -6.404 -8.478 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.277 -8.770 -8.307 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.777 -8.445 -9.668 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.212 -8.217 -9.490 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.227 -8.802 -10.816 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.328 -6.289 -10.789 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.849 -6.660 -11.653 1.00 0.00 H new ATOM 610 N LYS A 57 -0.091 -6.087 -6.294 1.00 0.00 N ATOM 611 CA LYS A 57 0.549 -5.846 -4.970 1.00 0.00 C ATOM 612 C LYS A 57 1.613 -6.909 -4.686 1.00 0.00 C ATOM 613 O LYS A 57 2.603 -6.642 -4.039 1.00 0.00 O ATOM 614 CB LYS A 57 -0.593 -5.938 -3.954 1.00 0.00 C ATOM 615 CG LYS A 57 -1.127 -7.372 -3.910 1.00 0.00 C ATOM 616 CD LYS A 57 -2.620 -7.350 -3.578 1.00 0.00 C ATOM 617 CE LYS A 57 -3.420 -7.793 -4.805 1.00 0.00 C ATOM 618 NZ LYS A 57 -4.309 -8.882 -4.315 1.00 0.00 N ATOM 0 H LYS A 57 -1.103 -5.965 -6.315 1.00 0.00 H new ATOM 0 HA LYS A 57 1.055 -4.881 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.240 -5.640 -2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.393 -5.250 -4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.964 -7.862 -4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.586 -7.950 -3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.827 -8.012 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.922 -6.347 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.999 -6.967 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.762 -8.148 -5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.889 -9.237 -5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.730 -9.658 -3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.929 -8.513 -3.566 1.00 0.00 H new ATOM 632 N LYS A 58 1.421 -8.108 -5.165 1.00 0.00 N ATOM 633 CA LYS A 58 2.433 -9.180 -4.915 1.00 0.00 C ATOM 634 C LYS A 58 3.741 -8.852 -5.639 1.00 0.00 C ATOM 635 O LYS A 58 4.815 -9.243 -5.232 1.00 0.00 O ATOM 636 CB LYS A 58 1.812 -10.456 -5.488 1.00 0.00 C ATOM 637 CG LYS A 58 2.839 -11.591 -5.446 1.00 0.00 C ATOM 638 CD LYS A 58 2.215 -12.822 -4.786 1.00 0.00 C ATOM 639 CE LYS A 58 2.119 -13.956 -5.809 1.00 0.00 C ATOM 640 NZ LYS A 58 0.805 -13.755 -6.480 1.00 0.00 N ATOM 0 H LYS A 58 0.612 -8.393 -5.716 1.00 0.00 H new ATOM 0 HA LYS A 58 2.671 -9.282 -3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.927 -10.731 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.486 -10.285 -6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.168 -11.835 -6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.722 -11.276 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.818 -13.136 -3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.224 -12.579 -4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.939 -13.913 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.170 -14.931 -5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.665 -14.495 -7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.043 -13.808 -5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.788 -12.821 -6.938 1.00 0.00 H new ATOM 654 N GLU A 59 3.654 -8.127 -6.709 1.00 0.00 N ATOM 655 CA GLU A 59 4.887 -7.765 -7.469 1.00 0.00 C ATOM 656 C GLU A 59 5.572 -6.582 -6.805 1.00 0.00 C ATOM 657 O GLU A 59 6.761 -6.594 -6.565 1.00 0.00 O ATOM 658 CB GLU A 59 4.402 -7.396 -8.871 1.00 0.00 C ATOM 659 CG GLU A 59 5.546 -6.743 -9.650 1.00 0.00 C ATOM 660 CD GLU A 59 5.769 -7.496 -10.963 1.00 0.00 C ATOM 661 OE1 GLU A 59 4.823 -7.614 -11.723 1.00 0.00 O ATOM 662 OE2 GLU A 59 6.883 -7.943 -11.184 1.00 0.00 O ATOM 0 H GLU A 59 2.783 -7.765 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 59 5.612 -8.579 -7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.054 -8.287 -9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.555 -6.713 -8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.311 -5.698 -9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.458 -6.754 -9.053 1.00 0.00 H new ATOM 669 N LEU A 60 4.834 -5.564 -6.483 1.00 0.00 N ATOM 670 CA LEU A 60 5.460 -4.406 -5.811 1.00 0.00 C ATOM 671 C LEU A 60 6.132 -4.911 -4.534 1.00 0.00 C ATOM 672 O LEU A 60 7.327 -4.781 -4.354 1.00 0.00 O ATOM 673 CB LEU A 60 4.286 -3.443 -5.540 1.00 0.00 C ATOM 674 CG LEU A 60 4.259 -2.969 -4.080 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.603 -2.330 -3.708 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.144 -1.935 -3.921 1.00 0.00 C ATOM 0 H LEU A 60 3.832 -5.485 -6.655 1.00 0.00 H new ATOM 0 HA LEU A 60 6.233 -3.898 -6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.365 -2.580 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.346 -3.941 -5.777 1.00 0.00 H new ATOM 0 HG LEU A 60 4.080 -3.821 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.573 -1.997 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.401 -3.063 -3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.792 -1.475 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.113 -1.589 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.335 -1.089 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.187 -2.389 -4.181 1.00 0.00 H new ATOM 688 N ILE A 61 5.371 -5.491 -3.649 1.00 0.00 N ATOM 689 CA ILE A 61 5.966 -6.008 -2.391 1.00 0.00 C ATOM 690 C ILE A 61 7.184 -6.847 -2.726 1.00 0.00 C ATOM 691 O ILE A 61 8.107 -6.966 -1.944 1.00 0.00 O ATOM 692 CB ILE A 61 4.879 -6.862 -1.773 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.442 -7.919 -2.790 1.00 0.00 C ATOM 694 CG2 ILE A 61 3.707 -5.956 -1.400 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.384 -9.125 -2.697 1.00 0.00 C ATOM 0 H ILE A 61 4.365 -5.628 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 61 6.290 -5.218 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 61 5.241 -7.366 -0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.415 -8.228 -2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.462 -7.503 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.913 -6.554 -0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.042 -5.204 -0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.329 -5.463 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.078 -9.882 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.404 -8.808 -2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.341 -9.544 -1.692 1.00 0.00 H new ATOM 707 N ASN A 62 7.210 -7.414 -3.900 1.00 0.00 N ATOM 708 CA ASN A 62 8.391 -8.220 -4.290 1.00 0.00 C ATOM 709 C ASN A 62 9.660 -7.388 -4.094 1.00 0.00 C ATOM 710 O ASN A 62 10.756 -7.913 -4.129 1.00 0.00 O ATOM 711 CB ASN A 62 8.188 -8.555 -5.767 1.00 0.00 C ATOM 712 CG ASN A 62 8.955 -9.835 -6.109 1.00 0.00 C ATOM 713 OD1 ASN A 62 8.416 -10.735 -6.722 1.00 0.00 O ATOM 714 ND2 ASN A 62 10.201 -9.955 -5.736 1.00 0.00 N ATOM 0 H ASN A 62 6.469 -7.353 -4.598 1.00 0.00 H new ATOM 0 HA ASN A 62 8.495 -9.124 -3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.127 -8.686 -5.979 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.538 -7.731 -6.389 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.721 -10.804 -5.959 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.654 -9.200 -5.221 1.00 0.00 H new ATOM 721 N ILE A 63 9.531 -6.092 -3.883 1.00 0.00 N ATOM 722 CA ILE A 63 10.754 -5.261 -3.677 1.00 0.00 C ATOM 723 C ILE A 63 11.738 -6.006 -2.783 1.00 0.00 C ATOM 724 O ILE A 63 12.636 -6.680 -3.250 1.00 0.00 O ATOM 725 CB ILE A 63 10.251 -3.969 -3.019 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.855 -2.990 -4.115 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.355 -3.335 -2.162 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.752 -2.065 -3.606 1.00 0.00 C ATOM 0 H ILE A 63 8.645 -5.588 -3.846 1.00 0.00 H new ATOM 0 HA ILE A 63 11.284 -5.046 -4.605 1.00 0.00 H new ATOM 0 HB ILE A 63 9.399 -4.201 -2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.721 -2.404 -4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.510 -3.534 -4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.980 -2.420 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.657 -4.034 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.214 -3.100 -2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.471 -1.366 -4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.883 -2.658 -3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.113 -1.510 -2.740 1.00 0.00 H new ATOM 740 N LYS A 64 11.567 -5.902 -1.509 1.00 0.00 N ATOM 741 CA LYS A 64 12.479 -6.616 -0.574 1.00 0.00 C ATOM 742 C LYS A 64 12.106 -8.098 -0.537 1.00 0.00 C ATOM 743 O LYS A 64 12.882 -8.937 -0.126 1.00 0.00 O ATOM 744 CB LYS A 64 12.254 -5.969 0.791 1.00 0.00 C ATOM 745 CG LYS A 64 13.524 -6.111 1.635 1.00 0.00 C ATOM 746 CD LYS A 64 14.592 -5.146 1.116 1.00 0.00 C ATOM 747 CE LYS A 64 14.953 -4.144 2.214 1.00 0.00 C ATOM 748 NZ LYS A 64 16.442 -4.145 2.260 1.00 0.00 N ATOM 0 H LYS A 64 10.833 -5.352 -1.063 1.00 0.00 H new ATOM 0 HA LYS A 64 13.524 -6.547 -0.876 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.000 -4.916 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.413 -6.443 1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.304 -5.898 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.892 -7.136 1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.479 -5.700 0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.224 -4.619 0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.566 -3.151 1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.528 -4.439 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.767 -3.480 2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.782 -5.102 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.818 -3.854 1.335 1.00 0.00 H new ATOM 762 N GLY A 65 10.919 -8.422 -0.973 1.00 0.00 N ATOM 763 CA GLY A 65 10.490 -9.846 -0.975 1.00 0.00 C ATOM 764 C GLY A 65 9.305 -10.037 -0.027 1.00 0.00 C ATOM 765 O GLY A 65 9.085 -11.115 0.490 1.00 0.00 O ATOM 0 H GLY A 65 10.229 -7.760 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.211 -10.149 -1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.318 -10.484 -0.668 1.00 0.00 H new ATOM 769 N ILE A 66 8.535 -9.007 0.218 1.00 0.00 N ATOM 770 CA ILE A 66 7.378 -9.160 1.139 1.00 0.00 C ATOM 771 C ILE A 66 6.139 -9.656 0.383 1.00 0.00 C ATOM 772 O ILE A 66 6.208 -10.556 -0.432 1.00 0.00 O ATOM 773 CB ILE A 66 7.095 -7.774 1.725 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.374 -6.923 1.798 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.512 -7.966 3.119 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.343 -6.037 3.044 1.00 0.00 C ATOM 0 H ILE A 66 8.659 -8.075 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 66 7.606 -9.889 1.916 1.00 0.00 H new ATOM 0 HB ILE A 66 6.392 -7.244 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.250 -7.571 1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.461 -6.305 0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.300 -6.993 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.589 -8.543 3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.229 -8.500 3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.253 -5.438 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.476 -5.378 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.278 -6.663 3.934 1.00 0.00 H new ATOM 788 N SER A 67 5.004 -9.073 0.665 1.00 0.00 N ATOM 789 CA SER A 67 3.733 -9.481 0.000 1.00 0.00 C ATOM 790 C SER A 67 2.595 -8.737 0.710 1.00 0.00 C ATOM 791 O SER A 67 2.770 -7.611 1.142 1.00 0.00 O ATOM 792 CB SER A 67 3.676 -11.006 0.201 1.00 0.00 C ATOM 793 OG SER A 67 2.380 -11.413 0.616 1.00 0.00 O ATOM 0 H SER A 67 4.903 -8.316 1.342 1.00 0.00 H new ATOM 0 HA SER A 67 3.658 -9.244 -1.061 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.940 -11.510 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.412 -11.307 0.946 1.00 0.00 H new ATOM 0 HG SER A 67 2.365 -12.385 0.736 1.00 0.00 H new ATOM 799 N GLU A 68 1.450 -9.332 0.874 1.00 0.00 N ATOM 800 CA GLU A 68 0.362 -8.619 1.595 1.00 0.00 C ATOM 801 C GLU A 68 0.926 -8.061 2.909 1.00 0.00 C ATOM 802 O GLU A 68 0.392 -7.135 3.486 1.00 0.00 O ATOM 803 CB GLU A 68 -0.702 -9.684 1.871 1.00 0.00 C ATOM 804 CG GLU A 68 -1.821 -9.575 0.832 1.00 0.00 C ATOM 805 CD GLU A 68 -2.352 -10.972 0.503 1.00 0.00 C ATOM 806 OE1 GLU A 68 -3.185 -11.459 1.251 1.00 0.00 O ATOM 807 OE2 GLU A 68 -1.918 -11.532 -0.490 1.00 0.00 O ATOM 0 H GLU A 68 1.221 -10.270 0.545 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.053 -7.785 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.254 -10.677 1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.109 -9.554 2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.627 -8.949 1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.446 -9.095 -0.072 1.00 0.00 H new ATOM 814 N ALA A 69 2.010 -8.629 3.384 1.00 0.00 N ATOM 815 CA ALA A 69 2.624 -8.153 4.658 1.00 0.00 C ATOM 816 C ALA A 69 2.564 -6.626 4.764 1.00 0.00 C ATOM 817 O ALA A 69 1.722 -6.083 5.449 1.00 0.00 O ATOM 818 CB ALA A 69 4.070 -8.633 4.599 1.00 0.00 C ATOM 0 H ALA A 69 2.496 -9.407 2.938 1.00 0.00 H new ATOM 0 HA ALA A 69 2.096 -8.538 5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.594 -8.322 5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.090 -9.720 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.562 -8.200 3.728 1.00 0.00 H new ATOM 824 N LYS A 70 3.441 -5.925 4.095 1.00 0.00 N ATOM 825 CA LYS A 70 3.399 -4.439 4.179 1.00 0.00 C ATOM 826 C LYS A 70 2.302 -3.904 3.258 1.00 0.00 C ATOM 827 O LYS A 70 1.544 -3.027 3.627 1.00 0.00 O ATOM 828 CB LYS A 70 4.793 -3.956 3.746 1.00 0.00 C ATOM 829 CG LYS A 70 4.896 -3.894 2.218 1.00 0.00 C ATOM 830 CD LYS A 70 6.186 -3.168 1.824 1.00 0.00 C ATOM 831 CE LYS A 70 7.143 -4.148 1.144 1.00 0.00 C ATOM 832 NZ LYS A 70 7.167 -3.734 -0.286 1.00 0.00 N ATOM 0 H LYS A 70 4.175 -6.312 3.502 1.00 0.00 H new ATOM 0 HA LYS A 70 3.167 -4.083 5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.989 -2.971 4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.555 -4.629 4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.891 -4.901 1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.032 -3.373 1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.958 -2.341 1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.657 -2.739 2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.138 -4.099 1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.797 -5.176 1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.736 -4.411 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.196 -3.716 -0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.586 -2.785 -0.366 1.00 0.00 H new ATOM 846 N ALA A 71 2.202 -4.421 2.065 1.00 0.00 N ATOM 847 CA ALA A 71 1.140 -3.925 1.139 1.00 0.00 C ATOM 848 C ALA A 71 -0.220 -3.944 1.842 1.00 0.00 C ATOM 849 O ALA A 71 -0.786 -2.916 2.155 1.00 0.00 O ATOM 850 CB ALA A 71 1.137 -4.900 -0.034 1.00 0.00 C ATOM 0 H ALA A 71 2.801 -5.157 1.692 1.00 0.00 H new ATOM 0 HA ALA A 71 1.327 -2.901 0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.379 -4.598 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.116 -4.897 -0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.913 -5.904 0.328 1.00 0.00 H new ATOM 856 N ASP A 72 -0.746 -5.111 2.088 1.00 0.00 N ATOM 857 CA ASP A 72 -2.071 -5.210 2.765 1.00 0.00 C ATOM 858 C ASP A 72 -2.115 -4.284 3.983 1.00 0.00 C ATOM 859 O ASP A 72 -3.038 -3.512 4.152 1.00 0.00 O ATOM 860 CB ASP A 72 -2.186 -6.671 3.201 1.00 0.00 C ATOM 861 CG ASP A 72 -3.651 -6.998 3.498 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.367 -6.098 3.905 1.00 0.00 O ATOM 863 OD2 ASP A 72 -4.031 -8.142 3.314 1.00 0.00 O ATOM 0 H ASP A 72 -0.315 -6.004 1.849 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.890 -4.913 2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.807 -7.327 2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.576 -6.847 4.087 1.00 0.00 H new ATOM 868 N LYS A 73 -1.124 -4.355 4.830 1.00 0.00 N ATOM 869 CA LYS A 73 -1.108 -3.479 6.037 1.00 0.00 C ATOM 870 C LYS A 73 -1.562 -2.064 5.666 1.00 0.00 C ATOM 871 O LYS A 73 -2.132 -1.354 6.470 1.00 0.00 O ATOM 872 CB LYS A 73 0.348 -3.472 6.500 1.00 0.00 C ATOM 873 CG LYS A 73 0.502 -2.519 7.686 1.00 0.00 C ATOM 874 CD LYS A 73 0.111 -3.240 8.978 1.00 0.00 C ATOM 875 CE LYS A 73 -1.408 -3.185 9.154 1.00 0.00 C ATOM 876 NZ LYS A 73 -1.616 -2.678 10.539 1.00 0.00 N ATOM 0 H LYS A 73 -0.325 -4.982 4.738 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.781 -3.835 6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.654 -4.478 6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.999 -3.161 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.532 -2.167 7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.127 -1.640 7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.446 -4.277 8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.604 -2.773 9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.867 -2.524 8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.857 -4.170 9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.635 -2.612 10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.174 -3.331 11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.184 -1.737 10.633 1.00 0.00 H new ATOM 890 N ILE A 74 -1.316 -1.651 4.452 1.00 0.00 N ATOM 891 CA ILE A 74 -1.736 -0.283 4.034 1.00 0.00 C ATOM 892 C ILE A 74 -3.194 -0.303 3.565 1.00 0.00 C ATOM 893 O ILE A 74 -4.043 0.364 4.122 1.00 0.00 O ATOM 894 CB ILE A 74 -0.799 0.086 2.881 1.00 0.00 C ATOM 895 CG1 ILE A 74 0.558 0.507 3.449 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.394 1.247 2.078 1.00 0.00 C ATOM 897 CD1 ILE A 74 1.411 1.110 2.334 1.00 0.00 C ATOM 0 H ILE A 74 -0.844 -2.200 3.734 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.675 0.438 4.849 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.675 -0.777 2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.420 1.234 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.065 -0.354 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.722 1.505 1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.362 0.951 1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.521 2.112 2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.378 1.410 2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.560 0.369 1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.904 1.982 1.919 1.00 0.00 H new ATOM 909 N LEU A 75 -3.491 -1.060 2.547 1.00 0.00 N ATOM 910 CA LEU A 75 -4.895 -1.117 2.052 1.00 0.00 C ATOM 911 C LEU A 75 -5.858 -1.249 3.232 1.00 0.00 C ATOM 912 O LEU A 75 -7.006 -0.854 3.156 1.00 0.00 O ATOM 913 CB LEU A 75 -4.956 -2.358 1.160 1.00 0.00 C ATOM 914 CG LEU A 75 -4.856 -1.942 -0.308 1.00 0.00 C ATOM 915 CD1 LEU A 75 -4.105 -3.018 -1.093 1.00 0.00 C ATOM 916 CD2 LEU A 75 -6.264 -1.777 -0.886 1.00 0.00 C ATOM 0 H LEU A 75 -2.825 -1.640 2.037 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.180 -0.217 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.143 -3.039 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.888 -2.897 1.333 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.318 -0.997 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.034 -2.722 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.103 -3.137 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.642 -3.964 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.195 -1.480 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.801 -2.723 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.800 -1.010 -0.326 1.00 0.00 H new ATOM 928 N ALA A 76 -5.399 -1.788 4.327 1.00 0.00 N ATOM 929 CA ALA A 76 -6.287 -1.929 5.514 1.00 0.00 C ATOM 930 C ALA A 76 -6.376 -0.589 6.246 1.00 0.00 C ATOM 931 O ALA A 76 -7.449 -0.066 6.483 1.00 0.00 O ATOM 932 CB ALA A 76 -5.616 -2.981 6.394 1.00 0.00 C ATOM 0 H ALA A 76 -4.448 -2.137 4.451 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.302 -2.222 5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.214 -3.140 7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.533 -3.918 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.621 -2.638 6.677 1.00 0.00 H new ATOM 938 N GLU A 77 -5.255 -0.024 6.597 1.00 0.00 N ATOM 939 CA GLU A 77 -5.270 1.287 7.303 1.00 0.00 C ATOM 940 C GLU A 77 -5.893 2.356 6.399 1.00 0.00 C ATOM 941 O GLU A 77 -6.672 3.176 6.838 1.00 0.00 O ATOM 942 CB GLU A 77 -3.801 1.605 7.580 1.00 0.00 C ATOM 943 CG GLU A 77 -3.371 0.923 8.879 1.00 0.00 C ATOM 944 CD GLU A 77 -2.541 1.898 9.715 1.00 0.00 C ATOM 945 OE1 GLU A 77 -2.964 3.034 9.858 1.00 0.00 O ATOM 946 OE2 GLU A 77 -1.496 1.494 10.197 1.00 0.00 O ATOM 0 H GLU A 77 -4.328 -0.414 6.425 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.857 1.261 8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.180 1.261 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.659 2.683 7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.248 0.600 9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.788 0.029 8.657 1.00 0.00 H new ATOM 953 N ALA A 78 -5.556 2.345 5.137 1.00 0.00 N ATOM 954 CA ALA A 78 -6.133 3.355 4.206 1.00 0.00 C ATOM 955 C ALA A 78 -7.642 3.143 4.077 1.00 0.00 C ATOM 956 O ALA A 78 -8.407 4.081 3.981 1.00 0.00 O ATOM 957 CB ALA A 78 -5.443 3.096 2.866 1.00 0.00 C ATOM 0 H ALA A 78 -4.908 1.682 4.712 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.979 4.377 4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.815 3.802 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.366 3.223 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.656 2.078 2.538 1.00 0.00 H new ATOM 963 N ALA A 79 -8.075 1.913 4.077 1.00 0.00 N ATOM 964 CA ALA A 79 -9.534 1.634 3.956 1.00 0.00 C ATOM 965 C ALA A 79 -10.265 2.099 5.219 1.00 0.00 C ATOM 966 O ALA A 79 -11.470 2.256 5.225 1.00 0.00 O ATOM 967 CB ALA A 79 -9.634 0.116 3.806 1.00 0.00 C ATOM 0 H ALA A 79 -7.481 1.088 4.156 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.988 2.157 3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.681 -0.172 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.089 -0.198 2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.204 -0.366 4.684 1.00 0.00 H new ATOM 973 N LYS A 80 -9.548 2.315 6.287 1.00 0.00 N ATOM 974 CA LYS A 80 -10.209 2.765 7.547 1.00 0.00 C ATOM 975 C LYS A 80 -9.492 3.990 8.126 1.00 0.00 C ATOM 976 O LYS A 80 -9.570 4.263 9.307 1.00 0.00 O ATOM 977 CB LYS A 80 -10.088 1.575 8.498 1.00 0.00 C ATOM 978 CG LYS A 80 -8.639 1.448 8.971 1.00 0.00 C ATOM 979 CD LYS A 80 -8.468 0.147 9.757 1.00 0.00 C ATOM 980 CE LYS A 80 -8.129 0.471 11.213 1.00 0.00 C ATOM 981 NZ LYS A 80 -6.780 1.099 11.162 1.00 0.00 N ATOM 0 H LYS A 80 -8.536 2.200 6.343 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.246 3.059 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.751 1.710 9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.399 0.660 7.994 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.964 1.459 8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.374 2.300 9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.383 -0.443 9.708 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.676 -0.457 9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.864 1.148 11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.123 -0.430 11.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.231 0.811 11.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.286 0.791 10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.879 2.134 11.153 1.00 0.00 H new ATOM 995 N LEU A 81 -8.798 4.732 7.308 1.00 0.00 N ATOM 996 CA LEU A 81 -8.086 5.940 7.822 1.00 0.00 C ATOM 997 C LEU A 81 -8.430 7.164 6.969 1.00 0.00 C ATOM 998 O LEU A 81 -8.621 8.251 7.474 1.00 0.00 O ATOM 999 CB LEU A 81 -6.599 5.602 7.705 1.00 0.00 C ATOM 1000 CG LEU A 81 -5.769 6.750 8.282 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -4.560 6.182 9.031 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -5.285 7.651 7.145 1.00 0.00 C ATOM 0 H LEU A 81 -8.692 4.557 6.309 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.370 6.181 8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.382 4.677 8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.334 5.436 6.661 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.383 7.330 8.971 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.969 7.001 9.442 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.903 5.540 9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.946 5.601 8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.694 8.469 7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.672 7.070 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.144 8.057 6.611 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.516 6.995 5.677 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.851 8.149 4.793 1.00 0.00 C ATOM 1016 C VAL A 82 -9.613 7.663 3.557 1.00 0.00 C ATOM 1017 O VAL A 82 -9.199 7.894 2.438 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.504 8.752 4.397 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -6.755 7.780 3.482 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -7.735 10.072 3.656 1.00 0.00 C ATOM 0 H VAL A 82 -8.369 6.108 5.195 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.489 8.880 5.290 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.912 8.935 5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.795 8.212 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.590 6.839 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.346 7.595 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.775 10.503 3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.328 9.887 2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.267 10.766 4.307 1.00 0.00 H new