USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 407 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 16 ASN :FLIP amide:sc= 0.946 F(o=-1,f=2.2) USER MOD Set 1.2: A 28 SER OG : rot -90:sc= 1.22 USER MOD Set 2.1: A 20 THR OG1 : rot -77:sc= 0.998 USER MOD Set 2.2: A 21 ASN :FLIP amide:sc= -0.0203 F(o=-2.8,f=0.98) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.608 K(o=-0.61,f=-3.6!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -0.0659 (180deg=-0.437) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.987 X(o=-0.99,f=-1.3) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 130:sc= 0.608 USER MOD Single : A 58 ASN : amide:sc= -0.243 K(o=-0.24,f=-3!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -11.812 -4.401 -0.160 1.00 0.00 N ATOM 117 CA LEU A 9 -11.201 -3.210 0.420 1.00 0.00 C ATOM 118 C LEU A 9 -10.381 -2.466 -0.627 1.00 0.00 C ATOM 119 O LEU A 9 -9.314 -2.922 -1.033 1.00 0.00 O ATOM 120 CB LEU A 9 -10.314 -3.599 1.608 1.00 0.00 C ATOM 121 CG LEU A 9 -9.939 -2.455 2.556 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.448 -3.007 3.884 1.00 0.00 C ATOM 123 CD2 LEU A 9 -8.875 -1.563 1.932 1.00 0.00 C ATOM 0 HA LEU A 9 -11.993 -2.549 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.826 -4.371 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.396 -4.044 1.223 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.831 -1.854 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.186 -2.182 4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.236 -3.605 4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.570 -3.631 3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.624 -0.758 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.983 -2.153 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.255 -1.139 1.003 1.00 0.00 H new ATOM 135 N VAL A 10 -10.883 -1.313 -1.056 1.00 0.00 N ATOM 136 CA VAL A 10 -10.196 -0.508 -2.056 1.00 0.00 C ATOM 137 C VAL A 10 -9.454 0.652 -1.402 1.00 0.00 C ATOM 138 O VAL A 10 -10.008 1.359 -0.561 1.00 0.00 O ATOM 139 CB VAL A 10 -11.178 0.047 -3.105 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.425 0.751 -4.223 1.00 0.00 C ATOM 141 CG2 VAL A 10 -12.054 -1.066 -3.661 1.00 0.00 C ATOM 0 H VAL A 10 -11.763 -0.916 -0.726 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.481 -1.161 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.825 0.777 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.136 1.136 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.847 1.577 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.751 0.045 -4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.741 -0.654 -4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.426 -1.823 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.624 -1.520 -2.850 1.00 0.00 H new ATOM 151 N VAL A 11 -8.197 0.839 -1.793 1.00 0.00 N ATOM 152 CA VAL A 11 -7.376 1.907 -1.237 1.00 0.00 C ATOM 153 C VAL A 11 -6.837 2.819 -2.341 1.00 0.00 C ATOM 154 O VAL A 11 -6.581 2.371 -3.458 1.00 0.00 O ATOM 155 CB VAL A 11 -6.200 1.333 -0.422 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.163 0.693 -1.335 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.570 2.409 0.445 1.00 0.00 C ATOM 0 H VAL A 11 -7.726 0.265 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.012 2.494 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.592 0.556 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.345 0.296 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.625 -0.117 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.776 1.441 -2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.742 1.982 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.199 3.215 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.316 2.804 1.135 1.00 0.00 H new ATOM 167 N ARG A 12 -6.675 4.101 -2.021 1.00 0.00 N ATOM 168 CA ARG A 12 -6.173 5.076 -2.987 1.00 0.00 C ATOM 169 C ARG A 12 -4.866 5.703 -2.512 1.00 0.00 C ATOM 170 O ARG A 12 -4.722 6.059 -1.342 1.00 0.00 O ATOM 171 CB ARG A 12 -7.216 6.171 -3.226 1.00 0.00 C ATOM 172 CG ARG A 12 -6.812 7.177 -4.290 1.00 0.00 C ATOM 173 CD ARG A 12 -7.893 8.225 -4.504 1.00 0.00 C ATOM 174 NE ARG A 12 -7.521 9.194 -5.531 1.00 0.00 N ATOM 175 CZ ARG A 12 -8.249 10.265 -5.839 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.390 10.502 -5.205 1.00 0.00 N ATOM 177 NH2 ARG A 12 -7.836 11.098 -6.785 1.00 0.00 N ATOM 0 H ARG A 12 -6.884 4.489 -1.101 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.981 4.550 -3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.158 5.706 -3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.397 6.699 -2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.883 7.666 -3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.616 6.658 -5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.823 7.733 -4.790 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.083 8.746 -3.566 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.652 9.041 -6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.712 9.862 -4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.945 11.324 -5.444 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.961 10.918 -7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.394 11.919 -7.021 1.00 0.00 H new ATOM 191 N ALA A 13 -3.916 5.831 -3.433 1.00 0.00 N ATOM 192 CA ALA A 13 -2.616 6.417 -3.127 1.00 0.00 C ATOM 193 C ALA A 13 -2.749 7.867 -2.666 1.00 0.00 C ATOM 194 O ALA A 13 -3.527 8.636 -3.229 1.00 0.00 O ATOM 195 CB ALA A 13 -1.711 6.334 -4.346 1.00 0.00 C ATOM 0 H ALA A 13 -4.024 5.535 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.174 5.849 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.742 6.774 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.577 5.290 -4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.165 6.879 -5.174 1.00 0.00 H new ATOM 201 N LYS A 14 -1.985 8.233 -1.638 1.00 0.00 N ATOM 202 CA LYS A 14 -2.013 9.594 -1.112 1.00 0.00 C ATOM 203 C LYS A 14 -0.863 10.420 -1.683 1.00 0.00 C ATOM 204 O LYS A 14 -1.081 11.357 -2.450 1.00 0.00 O ATOM 205 CB LYS A 14 -1.936 9.583 0.418 1.00 0.00 C ATOM 206 CG LYS A 14 -3.062 8.802 1.080 1.00 0.00 C ATOM 207 CD LYS A 14 -2.965 8.851 2.598 1.00 0.00 C ATOM 208 CE LYS A 14 -3.285 10.237 3.138 1.00 0.00 C ATOM 209 NZ LYS A 14 -3.250 10.273 4.626 1.00 0.00 N ATOM 0 H LYS A 14 -1.341 7.607 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.955 10.051 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.981 9.155 0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.955 10.610 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.022 9.209 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.030 7.765 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.653 8.124 3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.961 8.563 2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.569 10.956 2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.271 10.544 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.473 11.234 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.951 9.605 5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.301 10.005 4.958 1.00 0.00 H new ATOM 223 N PHE A 15 0.362 10.065 -1.301 1.00 0.00 N ATOM 224 CA PHE A 15 1.549 10.773 -1.773 1.00 0.00 C ATOM 225 C PHE A 15 2.240 9.996 -2.890 1.00 0.00 C ATOM 226 O PHE A 15 1.970 8.812 -3.094 1.00 0.00 O ATOM 227 CB PHE A 15 2.531 10.998 -0.621 1.00 0.00 C ATOM 228 CG PHE A 15 1.887 11.529 0.628 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.409 12.829 0.681 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.758 10.726 1.750 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.816 13.318 1.829 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.167 11.209 2.901 1.00 0.00 C ATOM 233 CZ PHE A 15 0.696 12.506 2.941 1.00 0.00 C ATOM 0 H PHE A 15 0.558 9.291 -0.666 1.00 0.00 H new ATOM 0 HA PHE A 15 1.228 11.738 -2.165 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.028 10.056 -0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.304 11.695 -0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.501 13.467 -0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.124 9.710 1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.447 14.333 1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.073 10.573 3.769 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.234 12.886 3.840 1.00 0.00 H new ATOM 243 N ASN A 16 3.134 10.669 -3.611 1.00 0.00 N ATOM 244 CA ASN A 16 3.870 10.041 -4.703 1.00 0.00 C ATOM 245 C ASN A 16 4.976 9.140 -4.163 1.00 0.00 C ATOM 246 O ASN A 16 6.025 9.618 -3.731 1.00 0.00 O ATOM 247 CB ASN A 16 4.471 11.105 -5.625 1.00 0.00 C ATOM 248 CG ASN A 16 5.295 10.503 -6.745 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.649 10.222 -7.871 1.00 0.00 O flip ATOM 250 ND2 ASN A 16 6.499 10.290 -6.600 1.00 0.00 N flip ATOM 0 H ASN A 16 3.366 11.650 -3.457 1.00 0.00 H new ATOM 0 HA ASN A 16 3.170 9.431 -5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.669 11.707 -6.052 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.097 11.778 -5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.955 10.521 -5.718 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.040 9.882 -7.362 1.00 0.00 H new ATOM 257 N PHE A 17 4.731 7.834 -4.186 1.00 0.00 N ATOM 258 CA PHE A 17 5.701 6.861 -3.695 1.00 0.00 C ATOM 259 C PHE A 17 6.554 6.323 -4.841 1.00 0.00 C ATOM 260 O PHE A 17 6.047 6.054 -5.930 1.00 0.00 O ATOM 261 CB PHE A 17 4.975 5.710 -2.996 1.00 0.00 C ATOM 262 CG PHE A 17 5.873 4.833 -2.169 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.584 3.796 -2.755 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.998 5.040 -0.805 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.405 2.986 -1.995 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.817 4.231 -0.040 1.00 0.00 C ATOM 267 CZ PHE A 17 7.521 3.203 -0.635 1.00 0.00 C ATOM 0 H PHE A 17 3.867 7.424 -4.540 1.00 0.00 H new ATOM 0 HA PHE A 17 6.359 7.357 -2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.196 6.122 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.478 5.097 -3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.495 3.620 -3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.449 5.842 -0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.956 2.184 -2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.906 4.403 1.022 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.161 2.570 -0.039 1.00 0.00 H new ATOM 277 N GLN A 18 7.851 6.168 -4.590 1.00 0.00 N ATOM 278 CA GLN A 18 8.769 5.658 -5.603 1.00 0.00 C ATOM 279 C GLN A 18 9.211 4.236 -5.273 1.00 0.00 C ATOM 280 O GLN A 18 9.505 3.918 -4.120 1.00 0.00 O ATOM 281 CB GLN A 18 9.990 6.572 -5.729 1.00 0.00 C ATOM 282 CG GLN A 18 10.765 6.742 -4.432 1.00 0.00 C ATOM 283 CD GLN A 18 11.956 7.669 -4.584 1.00 0.00 C ATOM 284 OE1 GLN A 18 11.843 8.880 -4.395 1.00 0.00 O ATOM 285 NE2 GLN A 18 13.109 7.102 -4.925 1.00 0.00 N ATOM 0 H GLN A 18 8.289 6.388 -3.695 1.00 0.00 H new ATOM 0 HA GLN A 18 8.241 5.641 -6.557 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.658 6.168 -6.490 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.664 7.552 -6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.099 7.134 -3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.109 5.767 -4.088 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.158 6.094 -5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.945 7.675 -5.040 1.00 0.00 H new ATOM 294 N GLN A 19 9.257 3.385 -6.293 1.00 0.00 N ATOM 295 CA GLN A 19 9.658 1.994 -6.112 1.00 0.00 C ATOM 296 C GLN A 19 11.166 1.832 -6.271 1.00 0.00 C ATOM 297 O GLN A 19 11.883 2.799 -6.528 1.00 0.00 O ATOM 298 CB GLN A 19 8.935 1.098 -7.121 1.00 0.00 C ATOM 299 CG GLN A 19 9.321 1.375 -8.566 1.00 0.00 C ATOM 300 CD GLN A 19 8.683 0.402 -9.539 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.596 0.649 -10.060 1.00 0.00 O ATOM 302 NE2 GLN A 19 9.359 -0.714 -9.788 1.00 0.00 N ATOM 0 H GLN A 19 9.022 3.634 -7.254 1.00 0.00 H new ATOM 0 HA GLN A 19 9.382 1.695 -5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.152 0.055 -6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.859 1.233 -7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.026 2.391 -8.828 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.405 1.323 -8.665 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.257 -0.878 -9.334 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.980 -1.407 -10.434 1.00 0.00 H new ATOM 311 N THR A 20 11.637 0.598 -6.115 1.00 0.00 N ATOM 312 CA THR A 20 13.057 0.293 -6.248 1.00 0.00 C ATOM 313 C THR A 20 13.276 -0.784 -7.305 1.00 0.00 C ATOM 314 O THR A 20 14.259 -0.753 -8.045 1.00 0.00 O ATOM 315 CB THR A 20 13.664 -0.175 -4.910 1.00 0.00 C ATOM 316 OG1 THR A 20 15.029 -0.564 -5.101 1.00 0.00 O ATOM 317 CG2 THR A 20 12.875 -1.340 -4.332 1.00 0.00 C ATOM 0 H THR A 20 11.053 -0.209 -5.896 1.00 0.00 H new ATOM 0 HA THR A 20 13.558 1.212 -6.553 1.00 0.00 H new ATOM 0 HB THR A 20 13.618 0.656 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.061 -1.451 -5.515 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.324 -1.651 -3.389 1.00 0.00 H new ATOM 0 HG22 THR A 20 11.844 -1.031 -4.159 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.891 -2.174 -5.034 1.00 0.00 H new ATOM 325 N ASN A 21 12.349 -1.736 -7.364 1.00 0.00 N ATOM 326 CA ASN A 21 12.421 -2.828 -8.328 1.00 0.00 C ATOM 327 C ASN A 21 11.024 -3.347 -8.654 1.00 0.00 C ATOM 328 O ASN A 21 10.029 -2.850 -8.124 1.00 0.00 O ATOM 329 CB ASN A 21 13.283 -3.970 -7.782 1.00 0.00 C ATOM 330 CG ASN A 21 14.727 -3.560 -7.576 1.00 0.00 C ATOM 331 OD1 ASN A 21 15.040 -3.076 -6.380 1.00 0.00 O flip ATOM 332 ND2 ASN A 21 15.552 -3.676 -8.482 1.00 0.00 N flip ATOM 0 H ASN A 21 11.535 -1.772 -6.751 1.00 0.00 H new ATOM 0 HA ASN A 21 12.878 -2.445 -9.241 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.868 -4.313 -6.835 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.243 -4.813 -8.472 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.267 -4.053 -9.386 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.520 -3.395 -8.329 1.00 0.00 H new ATOM 339 N GLU A 22 10.954 -4.349 -9.525 1.00 0.00 N ATOM 340 CA GLU A 22 9.675 -4.933 -9.913 1.00 0.00 C ATOM 341 C GLU A 22 9.044 -5.683 -8.745 1.00 0.00 C ATOM 342 O GLU A 22 7.898 -6.126 -8.825 1.00 0.00 O ATOM 343 CB GLU A 22 9.860 -5.879 -11.102 1.00 0.00 C ATOM 344 CG GLU A 22 10.316 -5.178 -12.371 1.00 0.00 C ATOM 345 CD GLU A 22 9.323 -4.137 -12.851 1.00 0.00 C ATOM 346 OE1 GLU A 22 8.390 -4.505 -13.595 1.00 0.00 O ATOM 347 OE2 GLU A 22 9.478 -2.954 -12.480 1.00 0.00 O ATOM 0 H GLU A 22 11.766 -4.772 -9.974 1.00 0.00 H new ATOM 0 HA GLU A 22 9.008 -4.122 -10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.590 -6.644 -10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.918 -6.391 -11.298 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.279 -4.700 -12.192 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.468 -5.919 -13.156 1.00 0.00 H new ATOM 354 N ASP A 23 9.798 -5.819 -7.659 1.00 0.00 N ATOM 355 CA ASP A 23 9.316 -6.515 -6.471 1.00 0.00 C ATOM 356 C ASP A 23 8.394 -5.616 -5.652 1.00 0.00 C ATOM 357 O ASP A 23 7.470 -6.095 -4.995 1.00 0.00 O ATOM 358 CB ASP A 23 10.495 -6.975 -5.613 1.00 0.00 C ATOM 359 CG ASP A 23 11.446 -7.876 -6.378 1.00 0.00 C ATOM 360 OD1 ASP A 23 12.389 -7.348 -7.004 1.00 0.00 O ATOM 361 OD2 ASP A 23 11.247 -9.108 -6.350 1.00 0.00 O ATOM 0 H ASP A 23 10.747 -5.456 -7.577 1.00 0.00 H new ATOM 0 HA ASP A 23 8.749 -7.388 -6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.038 -6.103 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.120 -7.506 -4.738 1.00 0.00 H new ATOM 366 N GLU A 24 8.653 -4.313 -5.698 1.00 0.00 N ATOM 367 CA GLU A 24 7.845 -3.346 -4.962 1.00 0.00 C ATOM 368 C GLU A 24 6.795 -2.718 -5.875 1.00 0.00 C ATOM 369 O GLU A 24 6.989 -2.625 -7.087 1.00 0.00 O ATOM 370 CB GLU A 24 8.739 -2.261 -4.358 1.00 0.00 C ATOM 371 CG GLU A 24 8.023 -1.365 -3.360 1.00 0.00 C ATOM 372 CD GLU A 24 8.971 -0.440 -2.623 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.358 0.597 -3.201 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.326 -0.752 -1.468 1.00 0.00 O ATOM 0 H GLU A 24 9.416 -3.902 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 24 7.332 -3.868 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.587 -2.735 -3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.142 -1.645 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.274 -0.770 -3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.491 -1.984 -2.638 1.00 0.00 H new ATOM 381 N LEU A 25 5.682 -2.288 -5.285 1.00 0.00 N ATOM 382 CA LEU A 25 4.598 -1.678 -6.050 1.00 0.00 C ATOM 383 C LEU A 25 4.674 -0.156 -5.992 1.00 0.00 C ATOM 384 O LEU A 25 4.680 0.437 -4.912 1.00 0.00 O ATOM 385 CB LEU A 25 3.244 -2.161 -5.518 1.00 0.00 C ATOM 386 CG LEU A 25 2.034 -1.838 -6.401 1.00 0.00 C ATOM 387 CD1 LEU A 25 0.939 -2.872 -6.198 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.504 -0.443 -6.099 1.00 0.00 C ATOM 0 H LEU A 25 5.508 -2.351 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 25 4.702 -1.982 -7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.292 -3.241 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.082 -1.720 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 25 2.354 -1.867 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.087 -2.628 -6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.317 -3.859 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.626 -2.871 -5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.645 -0.234 -6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.201 -0.387 -5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.285 0.292 -6.290 1.00 0.00 H new ATOM 400 N SER A 26 4.731 0.472 -7.163 1.00 0.00 N ATOM 401 CA SER A 26 4.799 1.926 -7.252 1.00 0.00 C ATOM 402 C SER A 26 3.405 2.514 -7.415 1.00 0.00 C ATOM 403 O SER A 26 2.513 1.872 -7.972 1.00 0.00 O ATOM 404 CB SER A 26 5.686 2.351 -8.420 1.00 0.00 C ATOM 405 OG SER A 26 5.752 3.763 -8.527 1.00 0.00 O ATOM 0 H SER A 26 4.731 -0.005 -8.065 1.00 0.00 H new ATOM 0 HA SER A 26 5.234 2.305 -6.327 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.689 1.947 -8.284 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.296 1.931 -9.347 1.00 0.00 H new ATOM 0 HG SER A 26 6.328 4.007 -9.282 1.00 0.00 H new ATOM 411 N PHE A 27 3.221 3.738 -6.935 1.00 0.00 N ATOM 412 CA PHE A 27 1.928 4.401 -7.024 1.00 0.00 C ATOM 413 C PHE A 27 2.052 5.901 -6.776 1.00 0.00 C ATOM 414 O PHE A 27 2.821 6.339 -5.921 1.00 0.00 O ATOM 415 CB PHE A 27 0.949 3.786 -6.021 1.00 0.00 C ATOM 416 CG PHE A 27 1.507 3.667 -4.632 1.00 0.00 C ATOM 417 CD1 PHE A 27 2.255 2.559 -4.264 1.00 0.00 C ATOM 418 CD2 PHE A 27 1.285 4.660 -3.692 1.00 0.00 C ATOM 419 CE1 PHE A 27 2.768 2.445 -2.987 1.00 0.00 C ATOM 420 CE2 PHE A 27 1.795 4.552 -2.413 1.00 0.00 C ATOM 421 CZ PHE A 27 2.538 3.443 -2.060 1.00 0.00 C ATOM 0 H PHE A 27 3.949 4.290 -6.481 1.00 0.00 H new ATOM 0 HA PHE A 27 1.548 4.256 -8.035 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.045 4.394 -5.989 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.656 2.796 -6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.439 1.776 -4.985 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.705 5.530 -3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.348 1.576 -2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.613 5.334 -1.690 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.939 3.356 -1.061 1.00 0.00 H new ATOM 431 N SER A 28 1.287 6.678 -7.534 1.00 0.00 N ATOM 432 CA SER A 28 1.297 8.130 -7.404 1.00 0.00 C ATOM 433 C SER A 28 -0.093 8.638 -7.040 1.00 0.00 C ATOM 434 O SER A 28 -1.086 7.942 -7.249 1.00 0.00 O ATOM 435 CB SER A 28 1.767 8.778 -8.707 1.00 0.00 C ATOM 436 OG SER A 28 3.059 8.322 -9.067 1.00 0.00 O ATOM 0 H SER A 28 0.650 6.325 -8.248 1.00 0.00 H new ATOM 0 HA SER A 28 1.990 8.401 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.062 8.549 -9.506 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.779 9.862 -8.594 1.00 0.00 H new ATOM 0 HG SER A 28 3.736 8.908 -8.669 1.00 0.00 H new ATOM 442 N LYS A 29 -0.153 9.846 -6.486 1.00 0.00 N ATOM 443 CA LYS A 29 -1.424 10.451 -6.093 1.00 0.00 C ATOM 444 C LYS A 29 -2.476 10.280 -7.186 1.00 0.00 C ATOM 445 O LYS A 29 -2.481 11.009 -8.178 1.00 0.00 O ATOM 446 CB LYS A 29 -1.232 11.935 -5.779 1.00 0.00 C ATOM 447 CG LYS A 29 -2.496 12.617 -5.275 1.00 0.00 C ATOM 448 CD LYS A 29 -2.238 14.066 -4.892 1.00 0.00 C ATOM 449 CE LYS A 29 -1.888 14.913 -6.105 1.00 0.00 C ATOM 450 NZ LYS A 29 -2.960 14.871 -7.139 1.00 0.00 N ATOM 0 H LYS A 29 0.664 10.427 -6.299 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.776 9.940 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.448 12.041 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.886 12.447 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.264 12.576 -6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.882 12.075 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.122 14.477 -4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.424 14.112 -4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.725 15.944 -5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.952 14.559 -6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.843 15.671 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.896 13.978 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.890 14.934 -6.678 1.00 0.00 H new ATOM 464 N GLY A 30 -3.363 9.305 -6.997 1.00 0.00 N ATOM 465 CA GLY A 30 -4.408 9.050 -7.972 1.00 0.00 C ATOM 466 C GLY A 30 -4.555 7.574 -8.293 1.00 0.00 C ATOM 467 O GLY A 30 -5.667 7.046 -8.319 1.00 0.00 O ATOM 0 H GLY A 30 -3.376 8.688 -6.185 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.356 9.432 -7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.187 9.598 -8.888 1.00 0.00 H new ATOM 471 N ASP A 31 -3.429 6.908 -8.540 1.00 0.00 N ATOM 472 CA ASP A 31 -3.435 5.486 -8.862 1.00 0.00 C ATOM 473 C ASP A 31 -4.074 4.668 -7.744 1.00 0.00 C ATOM 474 O ASP A 31 -3.653 4.741 -6.588 1.00 0.00 O ATOM 475 CB ASP A 31 -2.009 4.994 -9.116 1.00 0.00 C ATOM 476 CG ASP A 31 -1.401 5.600 -10.366 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.914 6.747 -10.293 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.415 4.927 -11.419 1.00 0.00 O ATOM 0 H ASP A 31 -2.501 7.332 -8.523 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.029 5.351 -9.766 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.385 5.239 -8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.013 3.908 -9.208 1.00 0.00 H new ATOM 483 N VAL A 32 -5.095 3.892 -8.096 1.00 0.00 N ATOM 484 CA VAL A 32 -5.796 3.054 -7.129 1.00 0.00 C ATOM 485 C VAL A 32 -5.162 1.670 -7.057 1.00 0.00 C ATOM 486 O VAL A 32 -4.682 1.149 -8.062 1.00 0.00 O ATOM 487 CB VAL A 32 -7.288 2.909 -7.487 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.011 2.057 -6.454 1.00 0.00 C ATOM 489 CG2 VAL A 32 -7.943 4.276 -7.610 1.00 0.00 C ATOM 0 H VAL A 32 -5.456 3.826 -9.048 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.714 3.544 -6.159 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.360 2.406 -8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.062 1.968 -6.727 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.560 1.065 -6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.929 2.526 -5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.996 4.153 -7.863 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.857 4.807 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.446 4.849 -8.393 1.00 0.00 H new ATOM 499 N ILE A 33 -5.166 1.075 -5.869 1.00 0.00 N ATOM 500 CA ILE A 33 -4.582 -0.248 -5.678 1.00 0.00 C ATOM 501 C ILE A 33 -5.563 -1.192 -4.990 1.00 0.00 C ATOM 502 O ILE A 33 -6.195 -0.829 -3.998 1.00 0.00 O ATOM 503 CB ILE A 33 -3.286 -0.179 -4.846 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.284 0.775 -5.498 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.677 -1.565 -4.687 1.00 0.00 C ATOM 506 CD1 ILE A 33 -2.452 2.216 -5.071 1.00 0.00 C ATOM 0 H ILE A 33 -5.566 1.486 -5.026 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.348 -0.632 -6.671 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.533 0.202 -3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.273 0.448 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.387 0.712 -6.581 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.763 -1.495 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.387 -2.219 -4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.444 -1.975 -5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.708 2.834 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.451 2.561 -5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.319 2.294 -3.992 1.00 0.00 H new ATOM 518 N HIS A 34 -5.683 -2.403 -5.525 1.00 0.00 N ATOM 519 CA HIS A 34 -6.579 -3.402 -4.958 1.00 0.00 C ATOM 520 C HIS A 34 -5.836 -4.268 -3.948 1.00 0.00 C ATOM 521 O HIS A 34 -4.885 -4.968 -4.297 1.00 0.00 O ATOM 522 CB HIS A 34 -7.179 -4.270 -6.065 1.00 0.00 C ATOM 523 CG HIS A 34 -8.063 -3.507 -7.002 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.822 -3.409 -8.356 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.197 -2.802 -6.772 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.767 -2.675 -8.918 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.613 -2.296 -7.978 1.00 0.00 N ATOM 0 H HIS A 34 -5.171 -2.715 -6.350 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.391 -2.888 -4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.371 -4.732 -6.633 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.753 -5.079 -5.612 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.683 -2.664 -5.817 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.835 -2.428 -9.967 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.442 -1.720 -8.124 1.00 0.00 H new ATOM 536 N VAL A 35 -6.279 -4.219 -2.698 1.00 0.00 N ATOM 537 CA VAL A 35 -5.646 -4.982 -1.630 1.00 0.00 C ATOM 538 C VAL A 35 -5.969 -6.469 -1.731 1.00 0.00 C ATOM 539 O VAL A 35 -7.108 -6.854 -1.990 1.00 0.00 O ATOM 540 CB VAL A 35 -6.082 -4.468 -0.243 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.270 -5.134 0.859 1.00 0.00 C ATOM 542 CG2 VAL A 35 -5.953 -2.955 -0.169 1.00 0.00 C ATOM 0 H VAL A 35 -7.076 -3.657 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.571 -4.845 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.130 -4.729 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.594 -4.756 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.421 -6.213 0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.213 -4.910 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.265 -2.611 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.915 -2.669 -0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.586 -2.498 -0.930 1.00 0.00 H new ATOM 552 N THR A 36 -4.951 -7.299 -1.527 1.00 0.00 N ATOM 553 CA THR A 36 -5.113 -8.746 -1.579 1.00 0.00 C ATOM 554 C THR A 36 -4.825 -9.359 -0.215 1.00 0.00 C ATOM 555 O THR A 36 -5.214 -10.493 0.068 1.00 0.00 O ATOM 556 CB THR A 36 -4.182 -9.385 -2.628 1.00 0.00 C ATOM 557 OG1 THR A 36 -2.819 -9.045 -2.348 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.548 -8.923 -4.031 1.00 0.00 C ATOM 0 H THR A 36 -4.000 -6.991 -1.323 1.00 0.00 H new ATOM 0 HA THR A 36 -6.145 -8.947 -1.865 1.00 0.00 H new ATOM 0 HB THR A 36 -4.303 -10.467 -2.576 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.235 -9.457 -3.019 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.877 -9.387 -4.754 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.576 -9.211 -4.253 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.454 -7.839 -4.093 1.00 0.00 H new ATOM 566 N ARG A 37 -4.144 -8.589 0.629 1.00 0.00 N ATOM 567 CA ARG A 37 -3.797 -9.029 1.976 1.00 0.00 C ATOM 568 C ARG A 37 -3.747 -7.835 2.925 1.00 0.00 C ATOM 569 O ARG A 37 -2.756 -7.104 2.962 1.00 0.00 O ATOM 570 CB ARG A 37 -2.443 -9.745 1.985 1.00 0.00 C ATOM 571 CG ARG A 37 -2.394 -10.990 1.114 1.00 0.00 C ATOM 572 CD ARG A 37 -1.024 -11.648 1.166 1.00 0.00 C ATOM 573 NE ARG A 37 -0.935 -12.804 0.278 1.00 0.00 N ATOM 574 CZ ARG A 37 0.177 -13.511 0.095 1.00 0.00 C ATOM 575 NH1 ARG A 37 1.288 -13.185 0.744 1.00 0.00 N ATOM 576 NH2 ARG A 37 0.178 -14.545 -0.734 1.00 0.00 N ATOM 0 H ARG A 37 -3.819 -7.649 0.401 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.565 -9.726 2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.674 -9.049 1.649 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.197 -10.022 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.153 -11.699 1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.634 -10.725 0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.262 -10.920 0.889 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.811 -11.960 2.188 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.773 -13.085 -0.231 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.290 -12.391 1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.140 -13.728 0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.675 -14.800 -1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.031 -15.086 -0.873 1.00 0.00 H new ATOM 590 N VAL A 38 -4.818 -7.640 3.687 1.00 0.00 N ATOM 591 CA VAL A 38 -4.886 -6.531 4.631 1.00 0.00 C ATOM 592 C VAL A 38 -4.726 -7.022 6.068 1.00 0.00 C ATOM 593 O VAL A 38 -5.589 -7.719 6.601 1.00 0.00 O ATOM 594 CB VAL A 38 -6.211 -5.745 4.491 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.410 -6.679 4.564 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.309 -4.659 5.556 1.00 0.00 C ATOM 0 H VAL A 38 -5.648 -8.233 3.670 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.061 -5.859 4.393 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.216 -5.266 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.328 -6.101 4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.351 -7.410 3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.411 -7.196 5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.248 -4.119 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.273 -5.115 6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.475 -3.965 5.446 1.00 0.00 H new ATOM 650 N TRP A 43 2.217 -3.334 6.721 1.00 0.00 N ATOM 651 CA TRP A 43 2.416 -3.374 5.276 1.00 0.00 C ATOM 652 C TRP A 43 1.297 -4.143 4.582 1.00 0.00 C ATOM 653 O TRP A 43 0.947 -5.251 4.986 1.00 0.00 O ATOM 654 CB TRP A 43 3.762 -4.017 4.941 1.00 0.00 C ATOM 655 CG TRP A 43 4.898 -3.043 4.910 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.674 -2.649 5.962 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.390 -2.345 3.762 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.621 -1.748 5.537 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.466 -1.544 4.189 1.00 0.00 C ATOM 660 CE3 TRP A 43 5.023 -2.320 2.413 1.00 0.00 C ATOM 661 CZ2 TRP A 43 7.181 -0.729 3.315 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.734 -1.509 1.546 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.802 -0.725 2.001 1.00 0.00 C ATOM 0 HA TRP A 43 2.404 -2.346 4.914 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.978 -4.792 5.676 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.689 -4.509 3.971 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.560 -2.995 6.979 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.324 -1.304 6.127 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.201 -2.922 2.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.004 -0.122 3.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.461 -1.480 0.501 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.338 -0.104 1.299 1.00 0.00 H new ATOM 674 N TRP A 44 0.743 -3.542 3.533 1.00 0.00 N ATOM 675 CA TRP A 44 -0.332 -4.165 2.769 1.00 0.00 C ATOM 676 C TRP A 44 0.128 -4.470 1.347 1.00 0.00 C ATOM 677 O TRP A 44 0.843 -3.679 0.734 1.00 0.00 O ATOM 678 CB TRP A 44 -1.561 -3.250 2.726 1.00 0.00 C ATOM 679 CG TRP A 44 -2.191 -3.004 4.068 1.00 0.00 C ATOM 680 CD1 TRP A 44 -1.833 -3.556 5.266 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.300 -2.140 4.343 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.647 -3.084 6.266 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.557 -2.215 5.725 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.101 -1.311 3.552 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.578 -1.488 6.332 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.116 -0.593 4.157 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.347 -0.686 5.535 1.00 0.00 C ATOM 0 H TRP A 44 1.022 -2.622 3.192 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.600 -5.099 3.263 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.273 -2.293 2.291 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.305 -3.690 2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.027 -4.261 5.406 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.584 -3.339 7.252 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.930 -1.233 2.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.756 -1.555 7.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.742 0.051 3.556 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.149 -0.113 5.977 1.00 0.00 H new ATOM 698 N GLU A 45 -0.284 -5.622 0.829 1.00 0.00 N ATOM 699 CA GLU A 45 0.078 -6.029 -0.527 1.00 0.00 C ATOM 700 C GLU A 45 -1.107 -5.854 -1.473 1.00 0.00 C ATOM 701 O GLU A 45 -2.252 -6.100 -1.096 1.00 0.00 O ATOM 702 CB GLU A 45 0.542 -7.487 -0.537 1.00 0.00 C ATOM 703 CG GLU A 45 1.067 -7.950 -1.887 1.00 0.00 C ATOM 704 CD GLU A 45 1.387 -9.431 -1.909 1.00 0.00 C ATOM 705 OE1 GLU A 45 2.523 -9.799 -1.542 1.00 0.00 O ATOM 706 OE2 GLU A 45 0.501 -10.223 -2.293 1.00 0.00 O ATOM 0 H GLU A 45 -0.870 -6.292 1.327 1.00 0.00 H new ATOM 0 HA GLU A 45 0.895 -5.394 -0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.324 -7.616 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.290 -8.126 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.326 -7.730 -2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.964 -7.384 -2.138 1.00 0.00 H new ATOM 713 N GLY A 46 -0.825 -5.428 -2.701 1.00 0.00 N ATOM 714 CA GLY A 46 -1.882 -5.225 -3.676 1.00 0.00 C ATOM 715 C GLY A 46 -1.405 -5.395 -5.104 1.00 0.00 C ATOM 716 O GLY A 46 -0.280 -5.838 -5.341 1.00 0.00 O ATOM 0 H GLY A 46 0.115 -5.220 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.690 -5.930 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.296 -4.224 -3.553 1.00 0.00 H new ATOM 720 N THR A 47 -2.263 -5.043 -6.058 1.00 0.00 N ATOM 721 CA THR A 47 -1.927 -5.163 -7.471 1.00 0.00 C ATOM 722 C THR A 47 -2.291 -3.895 -8.241 1.00 0.00 C ATOM 723 O THR A 47 -3.248 -3.200 -7.899 1.00 0.00 O ATOM 724 CB THR A 47 -2.645 -6.366 -8.114 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.269 -7.575 -7.443 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.308 -6.478 -9.594 1.00 0.00 C ATOM 0 H THR A 47 -3.196 -4.672 -5.877 1.00 0.00 H new ATOM 0 HA THR A 47 -0.849 -5.315 -7.527 1.00 0.00 H new ATOM 0 HB THR A 47 -3.719 -6.211 -8.016 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.730 -8.335 -7.856 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.828 -7.335 -10.022 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.622 -5.570 -10.108 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.233 -6.610 -9.713 1.00 0.00 H new ATOM 734 N LEU A 48 -1.518 -3.607 -9.284 1.00 0.00 N ATOM 735 CA LEU A 48 -1.752 -2.435 -10.120 1.00 0.00 C ATOM 736 C LEU A 48 -1.298 -2.709 -11.551 1.00 0.00 C ATOM 737 O LEU A 48 -0.541 -3.648 -11.798 1.00 0.00 O ATOM 738 CB LEU A 48 -1.015 -1.214 -9.554 1.00 0.00 C ATOM 739 CG LEU A 48 -1.282 0.109 -10.281 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.773 0.407 -10.328 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.534 1.249 -9.605 1.00 0.00 C ATOM 0 H LEU A 48 -0.720 -4.173 -9.571 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.821 -2.222 -10.125 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.293 -1.096 -8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.056 -1.413 -9.579 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.919 0.014 -11.305 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.939 1.350 -10.848 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.288 -0.395 -10.857 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.162 0.479 -9.312 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.735 2.180 -10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.867 1.340 -8.571 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.536 1.044 -9.625 1.00 0.00 H new ATOM 753 N ASN A 49 -1.770 -1.893 -12.488 1.00 0.00 N ATOM 754 CA ASN A 49 -1.415 -2.056 -13.893 1.00 0.00 C ATOM 755 C ASN A 49 0.099 -2.011 -14.092 1.00 0.00 C ATOM 756 O ASN A 49 0.730 -0.969 -13.922 1.00 0.00 O ATOM 757 CB ASN A 49 -2.092 -0.975 -14.740 1.00 0.00 C ATOM 758 CG ASN A 49 -1.838 0.423 -14.212 1.00 0.00 C ATOM 759 OD1 ASN A 49 -2.576 0.923 -13.364 1.00 0.00 O ATOM 760 ND2 ASN A 49 -0.791 1.066 -14.717 1.00 0.00 N ATOM 0 H ASN A 49 -2.399 -1.112 -12.300 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.768 -3.035 -14.217 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.731 -1.043 -15.766 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.166 -1.160 -14.767 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.573 2.012 -14.403 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.205 0.614 -15.419 1.00 0.00 H new ATOM 767 N GLY A 50 0.672 -3.158 -14.447 1.00 0.00 N ATOM 768 CA GLY A 50 2.105 -3.242 -14.675 1.00 0.00 C ATOM 769 C GLY A 50 2.921 -3.039 -13.411 1.00 0.00 C ATOM 770 O GLY A 50 4.151 -3.014 -13.459 1.00 0.00 O ATOM 0 H GLY A 50 0.167 -4.034 -14.581 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.343 -4.217 -15.101 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.394 -2.493 -15.412 1.00 0.00 H new ATOM 774 N ARG A 51 2.239 -2.896 -12.279 1.00 0.00 N ATOM 775 CA ARG A 51 2.912 -2.697 -11.000 1.00 0.00 C ATOM 776 C ARG A 51 2.322 -3.611 -9.930 1.00 0.00 C ATOM 777 O ARG A 51 1.153 -3.482 -9.568 1.00 0.00 O ATOM 778 CB ARG A 51 2.795 -1.236 -10.558 1.00 0.00 C ATOM 779 CG ARG A 51 3.450 -0.253 -11.514 1.00 0.00 C ATOM 780 CD ARG A 51 3.259 1.182 -11.051 1.00 0.00 C ATOM 781 NE ARG A 51 3.948 2.136 -11.914 1.00 0.00 N ATOM 782 CZ ARG A 51 3.944 3.450 -11.708 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.285 3.959 -10.676 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.597 4.256 -12.533 1.00 0.00 N ATOM 0 H ARG A 51 1.221 -2.914 -12.221 1.00 0.00 H new ATOM 0 HA ARG A 51 3.965 -2.946 -11.129 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.740 -0.980 -10.455 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.248 -1.127 -9.572 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.515 -0.473 -11.592 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.026 -0.375 -12.511 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.195 1.417 -11.030 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.628 1.285 -10.031 1.00 0.00 H new ATOM 0 HE ARG A 51 4.460 1.776 -12.719 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.780 3.343 -10.039 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.283 4.967 -10.519 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.105 3.869 -13.329 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.592 5.263 -12.372 1.00 0.00 H new ATOM 798 N THR A 52 3.136 -4.532 -9.425 1.00 0.00 N ATOM 799 CA THR A 52 2.689 -5.464 -8.394 1.00 0.00 C ATOM 800 C THR A 52 3.731 -5.602 -7.290 1.00 0.00 C ATOM 801 O THR A 52 4.919 -5.775 -7.561 1.00 0.00 O ATOM 802 CB THR A 52 2.393 -6.858 -8.986 1.00 0.00 C ATOM 803 OG1 THR A 52 1.427 -6.748 -10.038 1.00 0.00 O ATOM 804 CG2 THR A 52 1.871 -7.804 -7.913 1.00 0.00 C ATOM 0 H THR A 52 4.107 -4.654 -9.712 1.00 0.00 H new ATOM 0 HA THR A 52 1.771 -5.055 -7.973 1.00 0.00 H new ATOM 0 HB THR A 52 3.323 -7.263 -9.385 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.246 -7.636 -10.410 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.670 -8.780 -8.355 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.618 -7.909 -7.126 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.951 -7.401 -7.489 1.00 0.00 H new ATOM 812 N GLY A 53 3.277 -5.521 -6.043 1.00 0.00 N ATOM 813 CA GLY A 53 4.179 -5.634 -4.914 1.00 0.00 C ATOM 814 C GLY A 53 3.577 -5.080 -3.637 1.00 0.00 C ATOM 815 O GLY A 53 2.389 -4.760 -3.591 1.00 0.00 O ATOM 0 H GLY A 53 2.298 -5.379 -5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.441 -6.682 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.104 -5.103 -5.137 1.00 0.00 H new ATOM 819 N TRP A 54 4.399 -4.964 -2.601 1.00 0.00 N ATOM 820 CA TRP A 54 3.944 -4.448 -1.314 1.00 0.00 C ATOM 821 C TRP A 54 3.898 -2.924 -1.314 1.00 0.00 C ATOM 822 O TRP A 54 4.589 -2.271 -2.097 1.00 0.00 O ATOM 823 CB TRP A 54 4.859 -4.940 -0.194 1.00 0.00 C ATOM 824 CG TRP A 54 4.718 -6.405 0.085 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.301 -7.432 -0.599 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.940 -7.004 1.125 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.933 -8.635 -0.045 1.00 0.00 N ATOM 828 CE2 TRP A 54 4.098 -8.398 1.014 1.00 0.00 C ATOM 829 CE3 TRP A 54 3.125 -6.497 2.141 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.471 -9.290 1.882 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.503 -7.382 3.002 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.679 -8.765 2.868 1.00 0.00 C ATOM 0 H TRP A 54 5.386 -5.221 -2.626 1.00 0.00 H new ATOM 0 HA TRP A 54 2.934 -4.820 -1.143 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.894 -4.726 -0.459 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.641 -4.381 0.716 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.955 -7.317 -1.450 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.233 -9.554 -0.370 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.984 -5.432 2.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.605 -10.357 1.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.871 -7.001 3.791 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.180 -9.431 3.556 1.00 0.00 H new ATOM 843 N PHE A 55 3.079 -2.366 -0.428 1.00 0.00 N ATOM 844 CA PHE A 55 2.942 -0.919 -0.312 1.00 0.00 C ATOM 845 C PHE A 55 2.576 -0.526 1.119 1.00 0.00 C ATOM 846 O PHE A 55 1.810 -1.227 1.781 1.00 0.00 O ATOM 847 CB PHE A 55 1.889 -0.394 -1.296 1.00 0.00 C ATOM 848 CG PHE A 55 0.495 -0.895 -1.035 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.360 -0.198 -0.197 1.00 0.00 C ATOM 850 CD2 PHE A 55 0.038 -2.057 -1.635 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.645 -0.651 0.039 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.245 -2.516 -1.402 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.088 -1.812 -0.564 1.00 0.00 C ATOM 0 H PHE A 55 2.499 -2.896 0.222 1.00 0.00 H new ATOM 0 HA PHE A 55 3.902 -0.466 -0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.884 0.695 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.181 -0.677 -2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.019 0.710 0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.692 -2.611 -2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.302 -0.098 0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.588 -3.424 -1.875 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.091 -2.169 -0.381 1.00 0.00 H new ATOM 863 N PRO A 56 3.120 0.600 1.621 1.00 0.00 N ATOM 864 CA PRO A 56 2.844 1.067 2.985 1.00 0.00 C ATOM 865 C PRO A 56 1.369 1.383 3.197 1.00 0.00 C ATOM 866 O PRO A 56 0.632 1.614 2.240 1.00 0.00 O ATOM 867 CB PRO A 56 3.688 2.339 3.117 1.00 0.00 C ATOM 868 CG PRO A 56 3.965 2.769 1.718 1.00 0.00 C ATOM 869 CD PRO A 56 4.035 1.508 0.906 1.00 0.00 C ATOM 0 HA PRO A 56 3.086 0.307 3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.152 3.112 3.668 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.613 2.144 3.660 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.179 3.428 1.349 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.901 3.325 1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.717 1.673 -0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.049 1.110 0.866 1.00 0.00 H new ATOM 877 N SER A 57 0.945 1.389 4.458 1.00 0.00 N ATOM 878 CA SER A 57 -0.445 1.676 4.796 1.00 0.00 C ATOM 879 C SER A 57 -0.601 3.114 5.282 1.00 0.00 C ATOM 880 O SER A 57 -1.717 3.607 5.443 1.00 0.00 O ATOM 881 CB SER A 57 -0.941 0.707 5.872 1.00 0.00 C ATOM 882 OG SER A 57 -2.297 0.955 6.197 1.00 0.00 O ATOM 0 H SER A 57 1.544 1.199 5.261 1.00 0.00 H new ATOM 0 HA SER A 57 -1.045 1.548 3.895 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.830 -0.319 5.521 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.326 0.806 6.766 1.00 0.00 H new ATOM 0 HG SER A 57 -2.800 0.115 6.165 1.00 0.00 H new ATOM 888 N ASN A 58 0.526 3.780 5.514 1.00 0.00 N ATOM 889 CA ASN A 58 0.517 5.161 5.987 1.00 0.00 C ATOM 890 C ASN A 58 0.441 6.147 4.823 1.00 0.00 C ATOM 891 O ASN A 58 -0.052 7.265 4.978 1.00 0.00 O ATOM 892 CB ASN A 58 1.765 5.440 6.826 1.00 0.00 C ATOM 893 CG ASN A 58 1.803 4.614 8.098 1.00 0.00 C ATOM 894 OD1 ASN A 58 1.283 3.500 8.144 1.00 0.00 O ATOM 895 ND2 ASN A 58 2.419 5.160 9.139 1.00 0.00 N ATOM 0 H ASN A 58 1.458 3.386 5.382 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.371 5.297 6.605 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.654 5.228 6.232 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.798 6.499 7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.475 4.653 10.022 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.836 6.087 9.056 1.00 0.00 H new ATOM 902 N TYR A 59 0.930 5.729 3.658 1.00 0.00 N ATOM 903 CA TYR A 59 0.910 6.580 2.473 1.00 0.00 C ATOM 904 C TYR A 59 -0.335 6.326 1.633 1.00 0.00 C ATOM 905 O TYR A 59 -0.507 6.912 0.565 1.00 0.00 O ATOM 906 CB TYR A 59 2.170 6.355 1.631 1.00 0.00 C ATOM 907 CG TYR A 59 3.304 7.297 1.973 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.652 7.548 3.295 1.00 0.00 C ATOM 909 CD2 TYR A 59 4.021 7.942 0.972 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.684 8.413 3.609 1.00 0.00 C ATOM 911 CE2 TYR A 59 5.054 8.808 1.280 1.00 0.00 C ATOM 912 CZ TYR A 59 5.381 9.039 2.599 1.00 0.00 C ATOM 913 OH TYR A 59 6.408 9.902 2.909 1.00 0.00 O ATOM 0 H TYR A 59 1.344 4.808 3.510 1.00 0.00 H new ATOM 0 HA TYR A 59 0.888 7.617 2.807 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.509 5.328 1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.918 6.471 0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.108 7.060 4.090 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.767 7.764 -0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.942 8.597 4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.602 9.301 0.491 1.00 0.00 H new ATOM 0 HH TYR A 59 6.797 10.258 2.083 1.00 0.00 H new ATOM 923 N VAL A 60 -1.200 5.444 2.122 1.00 0.00 N ATOM 924 CA VAL A 60 -2.438 5.117 1.426 1.00 0.00 C ATOM 925 C VAL A 60 -3.633 5.206 2.371 1.00 0.00 C ATOM 926 O VAL A 60 -3.486 5.054 3.584 1.00 0.00 O ATOM 927 CB VAL A 60 -2.377 3.709 0.802 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.302 3.644 -0.273 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.132 2.656 1.871 1.00 0.00 C ATOM 0 H VAL A 60 -1.066 4.942 3.000 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.561 5.847 0.626 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.340 3.502 0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.275 2.642 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.527 4.367 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.332 3.876 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.093 1.670 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.186 2.860 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.942 2.682 2.600 1.00 0.00 H new ATOM 939 N ARG A 61 -4.815 5.455 1.812 1.00 0.00 N ATOM 940 CA ARG A 61 -6.032 5.570 2.613 1.00 0.00 C ATOM 941 C ARG A 61 -7.198 4.844 1.949 1.00 0.00 C ATOM 942 O ARG A 61 -7.400 4.950 0.739 1.00 0.00 O ATOM 943 CB ARG A 61 -6.389 7.043 2.824 1.00 0.00 C ATOM 944 CG ARG A 61 -6.597 7.813 1.528 1.00 0.00 C ATOM 945 CD ARG A 61 -7.013 9.251 1.792 1.00 0.00 C ATOM 946 NE ARG A 61 -7.200 10.001 0.553 1.00 0.00 N ATOM 947 CZ ARG A 61 -7.651 11.252 0.507 1.00 0.00 C ATOM 948 NH1 ARG A 61 -7.969 11.887 1.628 1.00 0.00 N ATOM 949 NH2 ARG A 61 -7.786 11.868 -0.659 1.00 0.00 N ATOM 0 H ARG A 61 -4.956 5.581 0.810 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.843 5.103 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.297 7.105 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.595 7.522 3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.676 7.801 0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.360 7.317 0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.940 9.261 2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.255 9.742 2.402 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.972 9.539 -0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.868 11.416 2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.315 12.846 1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.544 11.383 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.132 12.827 -0.692 1.00 0.00 H new ATOM 963 N GLU A 62 -7.962 4.104 2.750 1.00 0.00 N ATOM 964 CA GLU A 62 -9.110 3.355 2.245 1.00 0.00 C ATOM 965 C GLU A 62 -10.061 4.267 1.475 1.00 0.00 C ATOM 966 O GLU A 62 -10.702 5.144 2.053 1.00 0.00 O ATOM 967 CB GLU A 62 -9.856 2.681 3.400 1.00 0.00 C ATOM 968 CG GLU A 62 -10.972 1.755 2.945 1.00 0.00 C ATOM 969 CD GLU A 62 -11.728 1.137 4.105 1.00 0.00 C ATOM 970 OE1 GLU A 62 -11.268 0.101 4.630 1.00 0.00 O ATOM 971 OE2 GLU A 62 -12.781 1.688 4.490 1.00 0.00 O ATOM 0 H GLU A 62 -7.806 4.007 3.753 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.739 2.589 1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.144 2.112 3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.275 3.450 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.668 2.312 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.551 0.962 2.327 1.00 0.00 H new ATOM 978 N VAL A 63 -10.144 4.054 0.165 1.00 0.00 N ATOM 979 CA VAL A 63 -11.013 4.854 -0.689 1.00 0.00 C ATOM 980 C VAL A 63 -12.307 4.111 -1.006 1.00 0.00 C ATOM 981 O VAL A 63 -12.322 2.884 -1.108 1.00 0.00 O ATOM 982 CB VAL A 63 -10.308 5.229 -2.007 1.00 0.00 C ATOM 983 CG1 VAL A 63 -9.942 3.979 -2.795 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.179 6.158 -2.840 1.00 0.00 C ATOM 0 H VAL A 63 -9.618 3.332 -0.328 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.249 5.766 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.387 5.758 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.445 4.266 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.271 3.358 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.847 3.417 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.661 6.409 -3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.120 5.661 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.380 7.070 -2.278 1.00 0.00 H new