USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 603 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 52 SER OG : rot 110:sc= -0.0163 USER MOD Set 1.2: A 54 ASN : amide:sc= -0.0349 X(o=-0.051,f=-0.055) USER MOD Set 2.1: A 23 HIS : no HD1:sc= 0.304 K(o=1.3,f=-0.92) USER MOD Set 2.2: A 48 TYR OH : rot 121:sc= 0.957 USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= -0.0266 USER MOD Set 3.2: A 35 THR OG1 : rot 86:sc= 1.31 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 21 CYS SG : rot 180:sc=-0.00758 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -155:sc= -0.157 (180deg=-0.51) USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= -0.125 (180deg=-0.851) USER MOD Single : A 40 THR OG1 : rot 19:sc= 1.11 USER MOD Single : A 44 TYR OH : rot 120:sc= -0.622 USER MOD Single : A 45 TYR OH : rot 30:sc= -0.138 USER MOD Single : A 47 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.643 K(o=-0.64,f=-3.1) USER MOD Single : A 71 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0334 X(o=-0.033,f=-0.033) USER MOD Single : A 81 GLN : amide:sc= -3.39 K(o=-3.4,f=-6.9!) USER MOD Single : A 82 CYS SG : rot -28:sc= 0.0148 USER MOD ----------------------------------------------------------------- ATOM 113 N ALA A 9 -12.990 -12.331 4.134 1.00 1.00 N ATOM 114 CA ALA A 9 -11.798 -11.919 4.887 1.00 1.00 C ATOM 115 C ALA A 9 -12.046 -10.602 5.630 1.00 1.00 C ATOM 116 O ALA A 9 -11.108 -9.982 6.131 1.00 1.00 O ATOM 117 CB ALA A 9 -10.620 -11.749 3.913 1.00 1.00 C ATOM 0 HA ALA A 9 -11.567 -12.688 5.624 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -9.732 -11.443 4.466 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -10.425 -12.696 3.409 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -10.867 -10.988 3.173 1.00 1.00 H new ATOM 123 N ASN A 10 -13.301 -10.171 5.691 1.00 1.00 N ATOM 124 CA ASN A 10 -13.689 -8.917 6.363 1.00 1.00 C ATOM 125 C ASN A 10 -12.981 -7.717 5.728 1.00 1.00 C ATOM 126 O ASN A 10 -13.583 -6.930 4.998 1.00 1.00 O ATOM 127 CB ASN A 10 -13.377 -8.982 7.874 1.00 1.00 C ATOM 128 CG ASN A 10 -14.045 -10.207 8.497 1.00 1.00 C ATOM 129 OD1 ASN A 10 -15.254 -10.393 8.358 1.00 1.00 O ATOM 130 ND2 ASN A 10 -13.324 -11.058 9.176 1.00 1.00 N ATOM 0 H ASN A 10 -14.086 -10.675 5.278 1.00 1.00 H new ATOM 0 HA ASN A 10 -14.764 -8.791 6.238 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -12.299 -9.028 8.029 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -13.731 -8.076 8.365 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -13.762 -11.879 9.593 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -12.323 -10.901 9.290 1.00 1.00 H new ATOM 137 N THR A 11 -11.686 -7.590 5.998 1.00 1.00 N ATOM 138 CA THR A 11 -10.887 -6.492 5.444 1.00 1.00 C ATOM 139 C THR A 11 -10.885 -6.554 3.912 1.00 1.00 C ATOM 140 O THR A 11 -10.893 -7.629 3.313 1.00 1.00 O ATOM 141 CB THR A 11 -9.443 -6.573 5.969 1.00 1.00 C ATOM 142 OG1 THR A 11 -8.878 -7.820 5.589 1.00 1.00 O ATOM 143 CG2 THR A 11 -9.421 -6.450 7.502 1.00 1.00 C ATOM 0 H THR A 11 -11.164 -8.231 6.596 1.00 1.00 H new ATOM 0 HA THR A 11 -11.330 -5.547 5.759 1.00 1.00 H new ATOM 0 HB THR A 11 -8.864 -5.754 5.542 1.00 1.00 H new ATOM 0 HG1 THR A 11 -7.957 -7.876 5.920 1.00 1.00 H new ATOM 0 HG21 THR A 11 -8.392 -6.509 7.857 1.00 1.00 H new ATOM 0 HG22 THR A 11 -9.852 -5.493 7.796 1.00 1.00 H new ATOM 0 HG23 THR A 11 -10.003 -7.260 7.940 1.00 1.00 H new ATOM 151 N LEU A 12 -10.887 -5.385 3.281 1.00 1.00 N ATOM 152 CA LEU A 12 -10.900 -5.289 1.812 1.00 1.00 C ATOM 153 C LEU A 12 -9.491 -5.529 1.246 1.00 1.00 C ATOM 154 O LEU A 12 -9.291 -5.504 0.032 1.00 1.00 O ATOM 155 CB LEU A 12 -11.445 -3.881 1.377 1.00 1.00 C ATOM 156 CG LEU A 12 -12.057 -3.907 -0.087 1.00 1.00 C ATOM 157 CD1 LEU A 12 -13.535 -4.393 -0.063 1.00 1.00 C ATOM 158 CD2 LEU A 12 -12.003 -2.497 -0.728 1.00 1.00 C ATOM 0 H LEU A 12 -10.880 -4.484 3.759 1.00 1.00 H new ATOM 0 HA LEU A 12 -11.559 -6.058 1.410 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -12.208 -3.554 2.083 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -10.637 -3.151 1.419 1.00 1.00 H new ATOM 0 HG LEU A 12 -11.459 -4.600 -0.679 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -13.932 -4.402 -1.078 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -13.580 -5.399 0.353 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -14.130 -3.719 0.553 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -12.427 -2.537 -1.731 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -12.576 -1.798 -0.119 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -10.967 -2.163 -0.785 1.00 1.00 H new ATOM 170 N PHE A 13 -8.516 -5.752 2.121 1.00 1.00 N ATOM 171 CA PHE A 13 -7.109 -5.991 1.720 1.00 1.00 C ATOM 172 C PHE A 13 -6.783 -7.495 1.741 1.00 1.00 C ATOM 173 O PHE A 13 -6.754 -8.128 2.796 1.00 1.00 O ATOM 174 CB PHE A 13 -6.180 -5.243 2.699 1.00 1.00 C ATOM 175 CG PHE A 13 -6.549 -3.755 2.688 1.00 1.00 C ATOM 176 CD1 PHE A 13 -6.118 -2.935 1.627 1.00 1.00 C ATOM 177 CD2 PHE A 13 -7.334 -3.196 3.719 1.00 1.00 C ATOM 178 CE1 PHE A 13 -6.462 -1.577 1.601 1.00 1.00 C ATOM 179 CE2 PHE A 13 -7.674 -1.837 3.687 1.00 1.00 C ATOM 180 CZ PHE A 13 -7.237 -1.030 2.630 1.00 1.00 C ATOM 0 H PHE A 13 -8.665 -5.775 3.130 1.00 1.00 H new ATOM 0 HA PHE A 13 -6.959 -5.625 0.704 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.284 -5.651 3.705 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -5.138 -5.376 2.407 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -5.521 -3.354 0.831 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -7.674 -3.817 4.535 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -6.129 -0.952 0.786 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -8.274 -1.412 4.478 1.00 1.00 H new ATOM 0 HZ PHE A 13 -7.499 0.018 2.608 1.00 1.00 H new ATOM 190 N VAL A 14 -6.526 -8.049 0.561 1.00 1.00 N ATOM 191 CA VAL A 14 -6.205 -9.490 0.407 1.00 1.00 C ATOM 192 C VAL A 14 -4.698 -9.674 0.193 1.00 1.00 C ATOM 193 O VAL A 14 -4.058 -8.873 -0.487 1.00 1.00 O ATOM 194 CB VAL A 14 -6.991 -10.066 -0.803 1.00 1.00 C ATOM 195 CG1 VAL A 14 -6.770 -11.599 -0.919 1.00 1.00 C ATOM 196 CG2 VAL A 14 -8.501 -9.774 -0.623 1.00 1.00 C ATOM 0 H VAL A 14 -6.530 -7.530 -0.317 1.00 1.00 H new ATOM 0 HA VAL A 14 -6.495 -10.023 1.312 1.00 1.00 H new ATOM 0 HB VAL A 14 -6.628 -9.591 -1.714 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -7.329 -11.984 -1.772 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -5.709 -11.804 -1.058 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -7.118 -12.087 -0.008 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -9.053 -10.178 -1.472 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -8.855 -10.241 0.296 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -8.659 -8.697 -0.567 1.00 1.00 H new ATOM 206 N ASP A 15 -4.140 -10.732 0.770 1.00 1.00 N ATOM 207 CA ASP A 15 -2.711 -11.024 0.648 1.00 1.00 C ATOM 208 C ASP A 15 -2.307 -11.255 -0.821 1.00 1.00 C ATOM 209 O ASP A 15 -3.006 -11.902 -1.600 1.00 1.00 O ATOM 210 CB ASP A 15 -2.364 -12.272 1.491 1.00 1.00 C ATOM 211 CG ASP A 15 -3.180 -13.482 1.024 1.00 1.00 C ATOM 212 OD1 ASP A 15 -4.320 -13.292 0.630 1.00 1.00 O ATOM 213 OD2 ASP A 15 -2.647 -14.578 1.064 1.00 1.00 O ATOM 0 H ASP A 15 -4.657 -11.408 1.332 1.00 1.00 H new ATOM 0 HA ASP A 15 -2.154 -10.162 1.017 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -1.299 -12.490 1.407 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -2.566 -12.074 2.544 1.00 1.00 H new ATOM 218 N GLY A 16 -1.148 -10.723 -1.196 1.00 1.00 N ATOM 219 CA GLY A 16 -0.620 -10.862 -2.564 1.00 1.00 C ATOM 220 C GLY A 16 -1.194 -9.787 -3.484 1.00 1.00 C ATOM 221 O GLY A 16 -0.873 -9.749 -4.672 1.00 1.00 O ATOM 0 H GLY A 16 -0.546 -10.186 -0.571 1.00 1.00 H new ATOM 0 HA2 GLY A 16 0.467 -10.789 -2.547 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -0.867 -11.849 -2.954 1.00 1.00 H new ATOM 225 N GLU A 17 -2.021 -8.910 -2.924 1.00 1.00 N ATOM 226 CA GLU A 17 -2.652 -7.819 -3.692 1.00 1.00 C ATOM 227 C GLU A 17 -1.721 -6.606 -3.776 1.00 1.00 C ATOM 228 O GLU A 17 -1.124 -6.194 -2.781 1.00 1.00 O ATOM 229 CB GLU A 17 -3.981 -7.408 -3.007 1.00 1.00 C ATOM 230 CG GLU A 17 -4.760 -6.374 -3.864 1.00 1.00 C ATOM 231 CD GLU A 17 -6.110 -6.029 -3.220 1.00 1.00 C ATOM 232 OE1 GLU A 17 -6.558 -6.775 -2.363 1.00 1.00 O ATOM 233 OE2 GLU A 17 -6.677 -5.017 -3.601 1.00 1.00 O ATOM 0 H GLU A 17 -2.277 -8.926 -1.937 1.00 1.00 H new ATOM 0 HA GLU A 17 -2.851 -8.173 -4.703 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -4.599 -8.292 -2.848 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -3.771 -6.985 -2.025 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -4.165 -5.468 -3.976 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -4.922 -6.775 -4.865 1.00 1.00 H new ATOM 240 N ARG A 18 -1.610 -6.022 -4.964 1.00 1.00 N ATOM 241 CA ARG A 18 -0.767 -4.842 -5.184 1.00 1.00 C ATOM 242 C ARG A 18 -1.516 -3.590 -4.709 1.00 1.00 C ATOM 243 O ARG A 18 -2.654 -3.333 -5.101 1.00 1.00 O ATOM 244 CB ARG A 18 -0.398 -4.755 -6.682 1.00 1.00 C ATOM 245 CG ARG A 18 0.490 -3.501 -6.985 1.00 1.00 C ATOM 246 CD ARG A 18 1.193 -3.651 -8.369 1.00 1.00 C ATOM 247 NE ARG A 18 0.279 -4.246 -9.358 1.00 1.00 N ATOM 248 CZ ARG A 18 -0.804 -3.610 -9.803 1.00 1.00 C ATOM 249 NH1 ARG A 18 -1.058 -2.390 -9.425 1.00 1.00 N ATOM 250 NH2 ARG A 18 -1.610 -4.209 -10.637 1.00 1.00 N ATOM 0 H ARG A 18 -2.096 -6.347 -5.800 1.00 1.00 H new ATOM 0 HA ARG A 18 0.158 -4.918 -4.612 1.00 1.00 H new ATOM 0 HB2 ARG A 18 0.134 -5.659 -6.979 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -1.308 -4.710 -7.280 1.00 1.00 H new ATOM 0 HG2 ARG A 18 -0.126 -2.602 -6.979 1.00 1.00 H new ATOM 0 HG3 ARG A 18 1.238 -3.380 -6.202 1.00 1.00 H new ATOM 0 HD2 ARG A 18 1.529 -2.675 -8.719 1.00 1.00 H new ATOM 0 HD3 ARG A 18 2.080 -4.275 -8.265 1.00 1.00 H new ATOM 0 HE ARG A 18 0.482 -5.179 -9.716 1.00 1.00 H new ATOM 0 HH11 ARG A 18 -0.425 -1.913 -8.783 1.00 1.00 H new ATOM 0 HH12 ARG A 18 -1.890 -1.912 -9.771 1.00 1.00 H new ATOM 0 HH21 ARG A 18 -1.410 -5.160 -10.946 1.00 1.00 H new ATOM 0 HH22 ARG A 18 -2.440 -3.726 -10.980 1.00 1.00 H new ATOM 264 N VAL A 19 -0.876 -2.799 -3.853 1.00 1.00 N ATOM 265 CA VAL A 19 -1.472 -1.561 -3.290 1.00 1.00 C ATOM 266 C VAL A 19 -0.489 -0.407 -3.393 1.00 1.00 C ATOM 267 O VAL A 19 0.668 -0.563 -3.783 1.00 1.00 O ATOM 268 CB VAL A 19 -1.876 -1.785 -1.799 1.00 1.00 C ATOM 269 CG1 VAL A 19 -2.930 -2.914 -1.717 1.00 1.00 C ATOM 270 CG2 VAL A 19 -0.629 -2.156 -0.944 1.00 1.00 C ATOM 0 H VAL A 19 0.070 -2.986 -3.521 1.00 1.00 H new ATOM 0 HA VAL A 19 -2.365 -1.315 -3.865 1.00 1.00 H new ATOM 0 HB VAL A 19 -2.300 -0.862 -1.404 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -3.214 -3.072 -0.676 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -3.811 -2.632 -2.294 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -2.510 -3.834 -2.122 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -0.931 -2.308 0.092 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -0.182 -3.072 -1.330 1.00 1.00 H new ATOM 0 HG23 VAL A 19 0.100 -1.348 -0.995 1.00 1.00 H new ATOM 280 N LEU A 20 -0.971 0.777 -3.029 1.00 1.00 N ATOM 281 CA LEU A 20 -0.163 2.008 -3.068 1.00 1.00 C ATOM 282 C LEU A 20 -0.070 2.630 -1.667 1.00 1.00 C ATOM 283 O LEU A 20 -1.003 2.582 -0.865 1.00 1.00 O ATOM 284 CB LEU A 20 -0.821 2.996 -4.053 1.00 1.00 C ATOM 285 CG LEU A 20 -0.926 2.384 -5.486 1.00 1.00 C ATOM 286 CD1 LEU A 20 -1.699 3.367 -6.402 1.00 1.00 C ATOM 287 CD2 LEU A 20 0.487 2.086 -6.093 1.00 1.00 C ATOM 0 H LEU A 20 -1.926 0.918 -2.699 1.00 1.00 H new ATOM 0 HA LEU A 20 0.849 1.776 -3.400 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.816 3.261 -3.695 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.239 3.917 -4.090 1.00 1.00 H new ATOM 0 HG LEU A 20 -1.460 1.436 -5.417 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -1.776 2.946 -7.404 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.699 3.530 -5.999 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.167 4.317 -6.447 1.00 1.00 H new ATOM 0 HD21 LEU A 20 0.372 1.661 -7.090 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.058 3.012 -6.157 1.00 1.00 H new ATOM 0 HD23 LEU A 20 1.015 1.377 -5.455 1.00 1.00 H new ATOM 299 N CYS A 21 1.079 3.233 -1.384 1.00 1.00 N ATOM 300 CA CYS A 21 1.337 3.881 -0.076 1.00 1.00 C ATOM 301 C CYS A 21 1.886 5.293 -0.290 1.00 1.00 C ATOM 302 O CYS A 21 2.829 5.505 -1.052 1.00 1.00 O ATOM 303 CB CYS A 21 2.342 3.032 0.724 1.00 1.00 C ATOM 304 SG CYS A 21 2.611 3.771 2.355 1.00 1.00 S ATOM 0 H CYS A 21 1.859 3.294 -2.038 1.00 1.00 H new ATOM 0 HA CYS A 21 0.405 3.954 0.484 1.00 1.00 H new ATOM 0 HB2 CYS A 21 1.966 2.015 0.833 1.00 1.00 H new ATOM 0 HB3 CYS A 21 3.287 2.966 0.184 1.00 1.00 H new ATOM 0 HG CYS A 21 3.458 3.048 3.025 1.00 1.00 H new ATOM 310 N PHE A 22 1.294 6.264 0.398 1.00 1.00 N ATOM 311 CA PHE A 22 1.716 7.660 0.263 1.00 1.00 C ATOM 312 C PHE A 22 3.190 7.836 0.646 1.00 1.00 C ATOM 313 O PHE A 22 4.012 8.365 -0.101 1.00 1.00 O ATOM 314 CB PHE A 22 0.862 8.537 1.176 1.00 1.00 C ATOM 315 CG PHE A 22 -0.625 8.323 0.856 1.00 1.00 C ATOM 316 CD1 PHE A 22 -1.243 9.060 -0.174 1.00 1.00 C ATOM 317 CD2 PHE A 22 -1.384 7.381 1.583 1.00 1.00 C ATOM 318 CE1 PHE A 22 -2.599 8.859 -0.468 1.00 1.00 C ATOM 319 CE2 PHE A 22 -2.737 7.184 1.282 1.00 1.00 C ATOM 320 CZ PHE A 22 -3.344 7.922 0.260 1.00 1.00 C ATOM 0 H PHE A 22 0.525 6.115 1.052 1.00 1.00 H new ATOM 0 HA PHE A 22 1.589 7.953 -0.779 1.00 1.00 H new ATOM 0 HB2 PHE A 22 1.058 8.292 2.220 1.00 1.00 H new ATOM 0 HB3 PHE A 22 1.126 9.586 1.040 1.00 1.00 H new ATOM 0 HD1 PHE A 22 -0.671 9.781 -0.738 1.00 1.00 H new ATOM 0 HD2 PHE A 22 -0.920 6.810 2.374 1.00 1.00 H new ATOM 0 HE1 PHE A 22 -3.070 9.427 -1.257 1.00 1.00 H new ATOM 0 HE2 PHE A 22 -3.313 6.461 1.840 1.00 1.00 H new ATOM 0 HZ PHE A 22 -4.389 7.769 0.032 1.00 1.00 H new ATOM 330 N HIS A 23 3.531 7.356 1.837 1.00 1.00 N ATOM 331 CA HIS A 23 4.902 7.435 2.371 1.00 1.00 C ATOM 332 C HIS A 23 5.404 8.888 2.349 1.00 1.00 C ATOM 333 O HIS A 23 6.597 9.164 2.488 1.00 1.00 O ATOM 334 CB HIS A 23 5.838 6.510 1.567 1.00 1.00 C ATOM 335 CG HIS A 23 7.209 6.433 2.200 1.00 1.00 C ATOM 336 ND1 HIS A 23 7.428 5.810 3.421 1.00 1.00 N ATOM 337 CD2 HIS A 23 8.439 6.868 1.777 1.00 1.00 C ATOM 338 CE1 HIS A 23 8.747 5.886 3.683 1.00 1.00 C ATOM 339 NE2 HIS A 23 9.408 6.521 2.712 1.00 1.00 N ATOM 0 H HIS A 23 2.870 6.899 2.466 1.00 1.00 H new ATOM 0 HA HIS A 23 4.899 7.098 3.408 1.00 1.00 H new ATOM 0 HB2 HIS A 23 5.405 5.511 1.510 1.00 1.00 H new ATOM 0 HB3 HIS A 23 5.927 6.878 0.545 1.00 1.00 H new ATOM 0 HD2 HIS A 23 8.627 7.400 0.856 1.00 1.00 H new ATOM 0 HE1 HIS A 23 9.213 5.483 4.570 1.00 1.00 H new ATOM 0 HE2 HIS A 23 10.409 6.711 2.666 1.00 1.00 H new ATOM 348 N GLY A 24 4.470 9.814 2.166 1.00 1.00 N ATOM 349 CA GLY A 24 4.780 11.258 2.125 1.00 1.00 C ATOM 350 C GLY A 24 3.857 12.010 1.143 1.00 1.00 C ATOM 351 O GLY A 24 2.892 11.432 0.645 1.00 1.00 O ATOM 0 H GLY A 24 3.481 9.599 2.042 1.00 1.00 H new ATOM 0 HA2 GLY A 24 4.673 11.682 3.123 1.00 1.00 H new ATOM 0 HA3 GLY A 24 5.819 11.399 1.829 1.00 1.00 H new ATOM 355 N PRO A 25 4.129 13.255 0.860 1.00 1.00 N ATOM 356 CA PRO A 25 3.284 14.070 -0.090 1.00 1.00 C ATOM 357 C PRO A 25 3.121 13.412 -1.480 1.00 1.00 C ATOM 358 O PRO A 25 2.422 13.940 -2.346 1.00 1.00 O ATOM 359 CB PRO A 25 4.052 15.426 -0.190 1.00 1.00 C ATOM 360 CG PRO A 25 4.815 15.518 1.105 1.00 1.00 C ATOM 361 CD PRO A 25 5.257 14.072 1.396 1.00 1.00 C ATOM 0 HA PRO A 25 2.261 14.175 0.271 1.00 1.00 H new ATOM 0 HB2 PRO A 25 4.723 15.441 -1.049 1.00 1.00 H new ATOM 0 HB3 PRO A 25 3.365 16.264 -0.308 1.00 1.00 H new ATOM 0 HG2 PRO A 25 5.673 16.184 1.014 1.00 1.00 H new ATOM 0 HG3 PRO A 25 4.190 15.911 1.907 1.00 1.00 H new ATOM 0 HD2 PRO A 25 6.198 13.832 0.902 1.00 1.00 H new ATOM 0 HD3 PRO A 25 5.405 13.903 2.463 1.00 1.00 H new ATOM 369 N LEU A 26 3.763 12.267 -1.689 1.00 1.00 N ATOM 370 CA LEU A 26 3.703 11.553 -3.007 1.00 1.00 C ATOM 371 C LEU A 26 3.168 10.134 -2.823 1.00 1.00 C ATOM 372 O LEU A 26 2.766 9.732 -1.731 1.00 1.00 O ATOM 373 CB LEU A 26 5.146 11.536 -3.669 1.00 1.00 C ATOM 374 CG LEU A 26 5.099 11.795 -5.229 1.00 1.00 C ATOM 375 CD1 LEU A 26 4.965 13.313 -5.523 1.00 1.00 C ATOM 376 CD2 LEU A 26 6.388 11.263 -5.909 1.00 1.00 C ATOM 0 H LEU A 26 4.332 11.799 -0.984 1.00 1.00 H new ATOM 0 HA LEU A 26 3.020 12.082 -3.671 1.00 1.00 H new ATOM 0 HB2 LEU A 26 5.768 12.296 -3.196 1.00 1.00 H new ATOM 0 HB3 LEU A 26 5.619 10.573 -3.478 1.00 1.00 H new ATOM 0 HG LEU A 26 4.233 11.268 -5.630 1.00 1.00 H new ATOM 0 HD11 LEU A 26 4.934 13.474 -6.601 1.00 1.00 H new ATOM 0 HD12 LEU A 26 4.047 13.691 -5.073 1.00 1.00 H new ATOM 0 HD13 LEU A 26 5.820 13.842 -5.102 1.00 1.00 H new ATOM 0 HD21 LEU A 26 6.337 11.450 -6.982 1.00 1.00 H new ATOM 0 HD22 LEU A 26 7.256 11.773 -5.492 1.00 1.00 H new ATOM 0 HD23 LEU A 26 6.477 10.191 -5.732 1.00 1.00 H new ATOM 388 N ILE A 27 3.163 9.380 -3.919 1.00 1.00 N ATOM 389 CA ILE A 27 2.664 7.975 -3.913 1.00 1.00 C ATOM 390 C ILE A 27 3.748 7.037 -4.461 1.00 1.00 C ATOM 391 O ILE A 27 4.461 7.361 -5.410 1.00 1.00 O ATOM 392 CB ILE A 27 1.358 7.872 -4.758 1.00 1.00 C ATOM 393 CG1 ILE A 27 0.277 8.845 -4.173 1.00 1.00 C ATOM 394 CG2 ILE A 27 0.813 6.414 -4.725 1.00 1.00 C ATOM 395 CD1 ILE A 27 -0.933 8.954 -5.123 1.00 1.00 C ATOM 0 H ILE A 27 3.494 9.702 -4.828 1.00 1.00 H new ATOM 0 HA ILE A 27 2.434 7.675 -2.891 1.00 1.00 H new ATOM 0 HB ILE A 27 1.580 8.147 -5.789 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -0.052 8.486 -3.198 1.00 1.00 H new ATOM 0 HG13 ILE A 27 0.714 9.831 -4.019 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -0.099 6.353 -5.318 1.00 1.00 H new ATOM 0 HG22 ILE A 27 1.560 5.737 -5.138 1.00 1.00 H new ATOM 0 HG23 ILE A 27 0.596 6.130 -3.695 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -1.670 9.634 -4.697 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -0.604 9.335 -6.090 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -1.382 7.969 -5.255 1.00 1.00 H new ATOM 407 N TYR A 28 3.862 5.864 -3.846 1.00 1.00 N ATOM 408 CA TYR A 28 4.866 4.845 -4.225 1.00 1.00 C ATOM 409 C TYR A 28 4.217 3.468 -4.386 1.00 1.00 C ATOM 410 O TYR A 28 3.136 3.200 -3.863 1.00 1.00 O ATOM 411 CB TYR A 28 5.924 4.795 -3.112 1.00 1.00 C ATOM 412 CG TYR A 28 6.507 6.199 -2.928 1.00 1.00 C ATOM 413 CD1 TYR A 28 5.818 7.144 -2.136 1.00 1.00 C ATOM 414 CD2 TYR A 28 7.728 6.560 -3.537 1.00 1.00 C ATOM 415 CE1 TYR A 28 6.358 8.427 -1.957 1.00 1.00 C ATOM 416 CE2 TYR A 28 8.252 7.845 -3.353 1.00 1.00 C ATOM 417 CZ TYR A 28 7.570 8.774 -2.565 1.00 1.00 C ATOM 418 OH TYR A 28 8.094 10.035 -2.382 1.00 1.00 O ATOM 0 H TYR A 28 3.265 5.582 -3.068 1.00 1.00 H new ATOM 0 HA TYR A 28 5.318 5.111 -5.181 1.00 1.00 H new ATOM 0 HB2 TYR A 28 5.477 4.446 -2.181 1.00 1.00 H new ATOM 0 HB3 TYR A 28 6.713 4.089 -3.371 1.00 1.00 H new ATOM 0 HD1 TYR A 28 4.880 6.880 -1.670 1.00 1.00 H new ATOM 0 HD2 TYR A 28 8.259 5.844 -4.146 1.00 1.00 H new ATOM 0 HE1 TYR A 28 5.836 9.150 -1.347 1.00 1.00 H new ATOM 0 HE2 TYR A 28 9.186 8.118 -3.822 1.00 1.00 H new ATOM 0 HH TYR A 28 8.940 10.112 -2.871 1.00 1.00 H new ATOM 428 N GLU A 29 4.897 2.586 -5.113 1.00 1.00 N ATOM 429 CA GLU A 29 4.397 1.223 -5.357 1.00 1.00 C ATOM 430 C GLU A 29 4.752 0.287 -4.189 1.00 1.00 C ATOM 431 O GLU A 29 5.899 0.226 -3.745 1.00 1.00 O ATOM 432 CB GLU A 29 5.008 0.683 -6.674 1.00 1.00 C ATOM 433 CG GLU A 29 4.362 -0.666 -7.073 1.00 1.00 C ATOM 434 CD GLU A 29 4.945 -1.165 -8.397 1.00 1.00 C ATOM 435 OE1 GLU A 29 6.157 -1.160 -8.525 1.00 1.00 O ATOM 436 OE2 GLU A 29 4.170 -1.546 -9.261 1.00 1.00 O ATOM 0 H GLU A 29 5.798 2.785 -5.547 1.00 1.00 H new ATOM 0 HA GLU A 29 3.311 1.258 -5.441 1.00 1.00 H new ATOM 0 HB2 GLU A 29 4.861 1.411 -7.472 1.00 1.00 H new ATOM 0 HB3 GLU A 29 6.084 0.554 -6.554 1.00 1.00 H new ATOM 0 HG2 GLU A 29 4.535 -1.405 -6.291 1.00 1.00 H new ATOM 0 HG3 GLU A 29 3.283 -0.546 -7.166 1.00 1.00 H new ATOM 443 N ALA A 30 3.761 -0.462 -3.718 1.00 1.00 N ATOM 444 CA ALA A 30 3.943 -1.411 -2.604 1.00 1.00 C ATOM 445 C ALA A 30 3.023 -2.611 -2.793 1.00 1.00 C ATOM 446 O ALA A 30 2.204 -2.644 -3.710 1.00 1.00 O ATOM 447 CB ALA A 30 3.637 -0.703 -1.276 1.00 1.00 C ATOM 0 H ALA A 30 2.811 -0.436 -4.089 1.00 1.00 H new ATOM 0 HA ALA A 30 4.974 -1.764 -2.588 1.00 1.00 H new ATOM 0 HB1 ALA A 30 3.771 -1.403 -0.451 1.00 1.00 H new ATOM 0 HB2 ALA A 30 4.315 0.141 -1.149 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.608 -0.344 -1.284 1.00 1.00 H new ATOM 453 N LYS A 31 3.149 -3.623 -1.939 1.00 1.00 N ATOM 454 CA LYS A 31 2.318 -4.844 -2.037 1.00 1.00 C ATOM 455 C LYS A 31 2.046 -5.436 -0.653 1.00 1.00 C ATOM 456 O LYS A 31 2.858 -5.336 0.266 1.00 1.00 O ATOM 457 CB LYS A 31 3.038 -5.880 -2.936 1.00 1.00 C ATOM 458 CG LYS A 31 2.160 -7.154 -3.147 1.00 1.00 C ATOM 459 CD LYS A 31 2.766 -8.080 -4.237 1.00 1.00 C ATOM 460 CE LYS A 31 4.143 -8.645 -3.815 1.00 1.00 C ATOM 461 NZ LYS A 31 4.493 -9.772 -4.724 1.00 1.00 N ATOM 0 H LYS A 31 3.816 -3.632 -1.167 1.00 1.00 H new ATOM 0 HA LYS A 31 1.357 -4.582 -2.480 1.00 1.00 H new ATOM 0 HB2 LYS A 31 3.268 -5.430 -3.902 1.00 1.00 H new ATOM 0 HB3 LYS A 31 3.988 -6.161 -2.482 1.00 1.00 H new ATOM 0 HG2 LYS A 31 2.076 -7.700 -2.208 1.00 1.00 H new ATOM 0 HG3 LYS A 31 1.151 -6.860 -3.436 1.00 1.00 H new ATOM 0 HD2 LYS A 31 2.081 -8.904 -4.435 1.00 1.00 H new ATOM 0 HD3 LYS A 31 2.872 -7.523 -5.168 1.00 1.00 H new ATOM 0 HE2 LYS A 31 4.904 -7.866 -3.868 1.00 1.00 H new ATOM 0 HE3 LYS A 31 4.110 -8.989 -2.781 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 5.418 -10.163 -4.452 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 3.768 -10.515 -4.651 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 4.538 -9.427 -5.704 1.00 1.00 H new ATOM 475 N VAL A 32 0.884 -6.064 -0.507 1.00 1.00 N ATOM 476 CA VAL A 32 0.477 -6.691 0.763 1.00 1.00 C ATOM 477 C VAL A 32 0.913 -8.163 0.771 1.00 1.00 C ATOM 478 O VAL A 32 0.406 -8.982 0.005 1.00 1.00 O ATOM 479 CB VAL A 32 -1.072 -6.601 0.942 1.00 1.00 C ATOM 480 CG1 VAL A 32 -1.481 -7.060 2.366 1.00 1.00 C ATOM 481 CG2 VAL A 32 -1.530 -5.141 0.725 1.00 1.00 C ATOM 0 H VAL A 32 0.196 -6.157 -1.255 1.00 1.00 H new ATOM 0 HA VAL A 32 0.956 -6.163 1.587 1.00 1.00 H new ATOM 0 HB VAL A 32 -1.548 -7.253 0.210 1.00 1.00 H new ATOM 0 HG11 VAL A 32 -2.563 -6.991 2.474 1.00 1.00 H new ATOM 0 HG12 VAL A 32 -1.166 -8.092 2.520 1.00 1.00 H new ATOM 0 HG13 VAL A 32 -1.001 -6.420 3.106 1.00 1.00 H new ATOM 0 HG21 VAL A 32 -2.611 -5.076 0.850 1.00 1.00 H new ATOM 0 HG22 VAL A 32 -1.041 -4.494 1.454 1.00 1.00 H new ATOM 0 HG23 VAL A 32 -1.261 -4.821 -0.282 1.00 1.00 H new ATOM 491 N LEU A 33 1.840 -8.506 1.658 1.00 1.00 N ATOM 492 CA LEU A 33 2.331 -9.897 1.767 1.00 1.00 C ATOM 493 C LEU A 33 1.474 -10.677 2.741 1.00 1.00 C ATOM 494 O LEU A 33 1.311 -11.888 2.591 1.00 1.00 O ATOM 495 CB LEU A 33 3.804 -9.914 2.241 1.00 1.00 C ATOM 496 CG LEU A 33 4.389 -11.366 2.373 1.00 1.00 C ATOM 497 CD1 LEU A 33 4.340 -12.142 1.021 1.00 1.00 C ATOM 498 CD2 LEU A 33 5.847 -11.267 2.883 1.00 1.00 C ATOM 0 H LEU A 33 2.271 -7.854 2.313 1.00 1.00 H new ATOM 0 HA LEU A 33 2.271 -10.362 0.783 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.413 -9.345 1.538 1.00 1.00 H new ATOM 0 HB3 LEU A 33 3.876 -9.410 3.205 1.00 1.00 H new ATOM 0 HG LEU A 33 3.776 -11.925 3.080 1.00 1.00 H new ATOM 0 HD11 LEU A 33 4.754 -13.141 1.159 1.00 1.00 H new ATOM 0 HD12 LEU A 33 3.306 -12.222 0.684 1.00 1.00 H new ATOM 0 HD13 LEU A 33 4.925 -11.607 0.273 1.00 1.00 H new ATOM 0 HD21 LEU A 33 6.267 -12.268 2.980 1.00 1.00 H new ATOM 0 HD22 LEU A 33 6.442 -10.691 2.175 1.00 1.00 H new ATOM 0 HD23 LEU A 33 5.860 -10.772 3.854 1.00 1.00 H new ATOM 510 N LYS A 34 0.951 -10.005 3.761 1.00 1.00 N ATOM 511 CA LYS A 34 0.120 -10.671 4.780 1.00 1.00 C ATOM 512 C LYS A 34 -0.819 -9.658 5.432 1.00 1.00 C ATOM 513 O LYS A 34 -0.472 -8.494 5.626 1.00 1.00 O ATOM 514 CB LYS A 34 1.037 -11.343 5.831 1.00 1.00 C ATOM 515 CG LYS A 34 0.216 -12.145 6.884 1.00 1.00 C ATOM 516 CD LYS A 34 1.132 -12.679 8.021 1.00 1.00 C ATOM 517 CE LYS A 34 2.246 -13.616 7.477 1.00 1.00 C ATOM 518 NZ LYS A 34 1.668 -14.544 6.467 1.00 1.00 N ATOM 0 H LYS A 34 1.082 -9.005 3.911 1.00 1.00 H new ATOM 0 HA LYS A 34 -0.492 -11.441 4.311 1.00 1.00 H new ATOM 0 HB2 LYS A 34 1.737 -12.011 5.329 1.00 1.00 H new ATOM 0 HB3 LYS A 34 1.631 -10.581 6.336 1.00 1.00 H new ATOM 0 HG2 LYS A 34 -0.560 -11.507 7.307 1.00 1.00 H new ATOM 0 HG3 LYS A 34 -0.288 -12.980 6.397 1.00 1.00 H new ATOM 0 HD2 LYS A 34 1.588 -11.839 8.544 1.00 1.00 H new ATOM 0 HD3 LYS A 34 0.528 -13.219 8.750 1.00 1.00 H new ATOM 0 HE2 LYS A 34 3.045 -13.026 7.028 1.00 1.00 H new ATOM 0 HE3 LYS A 34 2.690 -14.183 8.295 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 2.248 -15.406 6.415 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 0.697 -14.796 6.742 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 1.654 -14.080 5.537 1.00 1.00 H new ATOM 532 N THR A 35 -2.019 -10.119 5.772 1.00 1.00 N ATOM 533 CA THR A 35 -3.039 -9.264 6.407 1.00 1.00 C ATOM 534 C THR A 35 -3.628 -9.946 7.639 1.00 1.00 C ATOM 535 O THR A 35 -3.822 -11.160 7.663 1.00 1.00 O ATOM 536 CB THR A 35 -4.164 -8.966 5.391 1.00 1.00 C ATOM 537 OG1 THR A 35 -5.216 -8.287 6.054 1.00 1.00 O ATOM 538 CG2 THR A 35 -4.716 -10.265 4.775 1.00 1.00 C ATOM 0 H THR A 35 -2.318 -11.083 5.621 1.00 1.00 H new ATOM 0 HA THR A 35 -2.567 -8.333 6.721 1.00 1.00 H new ATOM 0 HB THR A 35 -3.753 -8.351 4.590 1.00 1.00 H new ATOM 0 HG1 THR A 35 -5.032 -7.325 6.060 1.00 1.00 H new ATOM 0 HG21 THR A 35 -5.506 -10.023 4.064 1.00 1.00 H new ATOM 0 HG22 THR A 35 -3.914 -10.793 4.260 1.00 1.00 H new ATOM 0 HG23 THR A 35 -5.120 -10.899 5.564 1.00 1.00 H new ATOM 546 N LYS A 36 -3.941 -9.146 8.655 1.00 1.00 N ATOM 547 CA LYS A 36 -4.533 -9.697 9.904 1.00 1.00 C ATOM 548 C LYS A 36 -5.972 -9.170 10.085 1.00 1.00 C ATOM 549 O LYS A 36 -6.145 -8.139 10.736 1.00 1.00 O ATOM 550 CB LYS A 36 -3.645 -9.312 11.115 1.00 1.00 C ATOM 551 CG LYS A 36 -4.103 -10.062 12.403 1.00 1.00 C ATOM 552 CD LYS A 36 -3.159 -9.759 13.619 1.00 1.00 C ATOM 553 CE LYS A 36 -3.537 -8.435 14.312 1.00 1.00 C ATOM 554 NZ LYS A 36 -4.922 -8.536 14.853 1.00 1.00 N ATOM 0 H LYS A 36 -3.805 -8.135 8.655 1.00 1.00 H new ATOM 0 HA LYS A 36 -4.576 -10.784 9.837 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -2.604 -9.554 10.899 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -3.694 -8.236 11.279 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -5.123 -9.768 12.652 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -4.118 -11.135 12.213 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -3.216 -10.576 14.338 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -2.126 -9.709 13.275 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -2.835 -8.220 15.118 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -3.471 -7.609 13.603 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -5.024 -7.898 15.668 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -5.603 -8.266 14.115 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -5.107 -9.514 15.154 1.00 1.00 H new ATOM 568 N PRO A 37 -6.976 -9.816 9.559 1.00 1.00 N ATOM 569 CA PRO A 37 -8.399 -9.338 9.701 1.00 1.00 C ATOM 570 C PRO A 37 -9.051 -9.801 11.008 1.00 1.00 C ATOM 571 O PRO A 37 -10.274 -9.769 11.139 1.00 1.00 O ATOM 572 CB PRO A 37 -9.068 -9.973 8.463 1.00 1.00 C ATOM 573 CG PRO A 37 -8.423 -11.328 8.387 1.00 1.00 C ATOM 574 CD PRO A 37 -6.937 -11.076 8.747 1.00 1.00 C ATOM 0 HA PRO A 37 -8.488 -8.253 9.746 1.00 1.00 H new ATOM 0 HB2 PRO A 37 -10.149 -10.047 8.582 1.00 1.00 H new ATOM 0 HB3 PRO A 37 -8.886 -9.388 7.561 1.00 1.00 H new ATOM 0 HG2 PRO A 37 -8.886 -12.027 9.083 1.00 1.00 H new ATOM 0 HG3 PRO A 37 -8.522 -11.758 7.390 1.00 1.00 H new ATOM 0 HD2 PRO A 37 -6.517 -11.906 9.315 1.00 1.00 H new ATOM 0 HD3 PRO A 37 -6.323 -10.958 7.854 1.00 1.00 H new ATOM 582 N ASP A 38 -8.239 -10.221 11.974 1.00 1.00 N ATOM 583 CA ASP A 38 -8.745 -10.698 13.272 1.00 1.00 C ATOM 584 C ASP A 38 -9.149 -9.523 14.175 1.00 1.00 C ATOM 585 O ASP A 38 -9.430 -9.707 15.359 1.00 1.00 O ATOM 586 CB ASP A 38 -7.655 -11.551 13.960 1.00 1.00 C ATOM 587 CG ASP A 38 -8.192 -12.196 15.245 1.00 1.00 C ATOM 588 OD1 ASP A 38 -9.276 -12.754 15.193 1.00 1.00 O ATOM 589 OD2 ASP A 38 -7.509 -12.124 16.254 1.00 1.00 O ATOM 0 H ASP A 38 -7.223 -10.243 11.889 1.00 1.00 H new ATOM 0 HA ASP A 38 -9.634 -11.305 13.101 1.00 1.00 H new ATOM 0 HB2 ASP A 38 -7.309 -12.326 13.276 1.00 1.00 H new ATOM 0 HB3 ASP A 38 -6.793 -10.926 14.195 1.00 1.00 H new ATOM 594 N ALA A 39 -9.177 -8.315 13.619 1.00 1.00 N ATOM 595 CA ALA A 39 -9.554 -7.114 14.394 1.00 1.00 C ATOM 596 C ALA A 39 -10.034 -5.982 13.477 1.00 1.00 C ATOM 597 O ALA A 39 -9.773 -5.967 12.274 1.00 1.00 O ATOM 598 CB ALA A 39 -8.360 -6.638 15.240 1.00 1.00 C ATOM 0 H ALA A 39 -8.947 -8.132 12.642 1.00 1.00 H new ATOM 0 HA ALA A 39 -10.380 -7.384 15.052 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -8.646 -5.753 15.808 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -8.063 -7.430 15.928 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -7.524 -6.394 14.585 1.00 1.00 H new ATOM 604 N THR A 40 -10.744 -5.021 14.059 1.00 1.00 N ATOM 605 CA THR A 40 -11.288 -3.861 13.302 1.00 1.00 C ATOM 606 C THR A 40 -11.251 -2.554 14.159 1.00 1.00 C ATOM 607 O THR A 40 -12.052 -2.451 15.088 1.00 1.00 O ATOM 608 CB THR A 40 -12.754 -4.157 12.917 1.00 1.00 C ATOM 609 OG1 THR A 40 -13.518 -4.304 14.106 1.00 1.00 O ATOM 610 CG2 THR A 40 -12.853 -5.456 12.077 1.00 1.00 C ATOM 0 H THR A 40 -10.965 -5.008 15.055 1.00 1.00 H new ATOM 0 HA THR A 40 -10.673 -3.713 12.415 1.00 1.00 H new ATOM 0 HB THR A 40 -13.137 -3.331 12.318 1.00 1.00 H new ATOM 0 HG1 THR A 40 -13.033 -3.904 14.858 1.00 1.00 H new ATOM 0 HG21 THR A 40 -13.895 -5.643 11.818 1.00 1.00 H new ATOM 0 HG22 THR A 40 -12.267 -5.345 11.165 1.00 1.00 H new ATOM 0 HG23 THR A 40 -12.467 -6.294 12.657 1.00 1.00 H new ATOM 618 N PRO A 41 -10.395 -1.605 13.894 1.00 1.00 N ATOM 619 CA PRO A 41 -9.352 -1.573 12.797 1.00 1.00 C ATOM 620 C PRO A 41 -8.252 -2.598 13.057 1.00 1.00 C ATOM 621 O PRO A 41 -8.340 -3.416 13.971 1.00 1.00 O ATOM 622 CB PRO A 41 -8.794 -0.102 12.847 1.00 1.00 C ATOM 623 CG PRO A 41 -9.827 0.660 13.632 1.00 1.00 C ATOM 624 CD PRO A 41 -10.313 -0.344 14.680 1.00 1.00 C ATOM 0 HA PRO A 41 -9.760 -1.828 11.819 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -7.818 -0.063 13.331 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -8.670 0.311 11.846 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -9.399 1.547 14.098 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -10.644 0.998 12.994 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -9.618 -0.429 15.515 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -11.279 -0.061 15.097 1.00 1.00 H new ATOM 632 N VAL A 42 -7.194 -2.533 12.256 1.00 1.00 N ATOM 633 CA VAL A 42 -6.061 -3.461 12.416 1.00 1.00 C ATOM 634 C VAL A 42 -4.846 -2.984 11.613 1.00 1.00 C ATOM 635 O VAL A 42 -4.823 -1.854 11.120 1.00 1.00 O ATOM 636 CB VAL A 42 -6.506 -4.913 12.004 1.00 1.00 C ATOM 637 CG1 VAL A 42 -6.708 -5.012 10.459 1.00 1.00 C ATOM 638 CG2 VAL A 42 -5.478 -6.004 12.509 1.00 1.00 C ATOM 0 H VAL A 42 -7.089 -1.860 11.497 1.00 1.00 H new ATOM 0 HA VAL A 42 -5.758 -3.483 13.463 1.00 1.00 H new ATOM 0 HB VAL A 42 -7.461 -5.115 12.490 1.00 1.00 H new ATOM 0 HG11 VAL A 42 -7.015 -6.024 10.196 1.00 1.00 H new ATOM 0 HG12 VAL A 42 -7.478 -4.306 10.147 1.00 1.00 H new ATOM 0 HG13 VAL A 42 -5.772 -4.775 9.954 1.00 1.00 H new ATOM 0 HG21 VAL A 42 -5.819 -6.994 12.205 1.00 1.00 H new ATOM 0 HG22 VAL A 42 -4.498 -5.809 12.074 1.00 1.00 H new ATOM 0 HG23 VAL A 42 -5.408 -5.962 13.596 1.00 1.00 H new ATOM 648 N GLU A 43 -3.829 -3.830 11.499 1.00 1.00 N ATOM 649 CA GLU A 43 -2.586 -3.550 10.766 1.00 1.00 C ATOM 650 C GLU A 43 -2.446 -4.531 9.584 1.00 1.00 C ATOM 651 O GLU A 43 -3.047 -5.603 9.527 1.00 1.00 O ATOM 652 CB GLU A 43 -1.379 -3.689 11.723 1.00 1.00 C ATOM 653 CG GLU A 43 -1.375 -5.079 12.403 1.00 1.00 C ATOM 654 CD GLU A 43 -0.202 -5.190 13.382 1.00 1.00 C ATOM 655 OE1 GLU A 43 0.075 -4.209 14.052 1.00 1.00 O ATOM 656 OE2 GLU A 43 0.395 -6.253 13.451 1.00 1.00 O ATOM 0 H GLU A 43 -3.840 -4.757 11.923 1.00 1.00 H new ATOM 0 HA GLU A 43 -2.614 -2.532 10.376 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -0.451 -3.548 11.169 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -1.419 -2.908 12.482 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -2.315 -5.235 12.932 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -1.301 -5.861 11.647 1.00 1.00 H new ATOM 663 N TYR A 44 -1.623 -4.133 8.619 1.00 1.00 N ATOM 664 CA TYR A 44 -1.379 -4.932 7.411 1.00 1.00 C ATOM 665 C TYR A 44 0.118 -5.013 7.111 1.00 1.00 C ATOM 666 O TYR A 44 0.878 -4.072 7.346 1.00 1.00 O ATOM 667 CB TYR A 44 -2.132 -4.264 6.250 1.00 1.00 C ATOM 668 CG TYR A 44 -3.626 -4.225 6.605 1.00 1.00 C ATOM 669 CD1 TYR A 44 -4.136 -3.182 7.405 1.00 1.00 C ATOM 670 CD2 TYR A 44 -4.490 -5.246 6.166 1.00 1.00 C ATOM 671 CE1 TYR A 44 -5.494 -3.160 7.750 1.00 1.00 C ATOM 672 CE2 TYR A 44 -5.845 -5.218 6.516 1.00 1.00 C ATOM 673 CZ TYR A 44 -6.346 -4.177 7.307 1.00 1.00 C ATOM 674 OH TYR A 44 -7.683 -4.153 7.648 1.00 1.00 O ATOM 0 H TYR A 44 -1.107 -3.254 8.646 1.00 1.00 H new ATOM 0 HA TYR A 44 -1.735 -5.952 7.554 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -1.755 -3.255 6.083 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -1.975 -4.820 5.326 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -3.479 -2.399 7.753 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -4.107 -6.052 5.558 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -5.883 -2.357 8.359 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -6.506 -6.001 6.175 1.00 1.00 H new ATOM 0 HH TYR A 44 -8.228 -4.116 6.834 1.00 1.00 H new ATOM 684 N TYR A 45 0.527 -6.156 6.571 1.00 1.00 N ATOM 685 CA TYR A 45 1.953 -6.371 6.246 1.00 1.00 C ATOM 686 C TYR A 45 2.268 -5.786 4.877 1.00 1.00 C ATOM 687 O TYR A 45 1.991 -6.394 3.842 1.00 1.00 O ATOM 688 CB TYR A 45 2.299 -7.880 6.289 1.00 1.00 C ATOM 689 CG TYR A 45 3.824 -8.099 6.458 1.00 1.00 C ATOM 690 CD1 TYR A 45 4.704 -7.833 5.390 1.00 1.00 C ATOM 691 CD2 TYR A 45 4.349 -8.580 7.675 1.00 1.00 C ATOM 692 CE1 TYR A 45 6.082 -8.044 5.540 1.00 1.00 C ATOM 693 CE2 TYR A 45 5.727 -8.785 7.818 1.00 1.00 C ATOM 694 CZ TYR A 45 6.590 -8.521 6.754 1.00 1.00 C ATOM 695 OH TYR A 45 7.946 -8.731 6.901 1.00 1.00 O ATOM 0 H TYR A 45 -0.086 -6.940 6.348 1.00 1.00 H new ATOM 0 HA TYR A 45 2.564 -5.863 6.992 1.00 1.00 H new ATOM 0 HB2 TYR A 45 1.767 -8.355 7.113 1.00 1.00 H new ATOM 0 HB3 TYR A 45 1.959 -8.360 5.371 1.00 1.00 H new ATOM 0 HD1 TYR A 45 4.315 -7.465 4.452 1.00 1.00 H new ATOM 0 HD2 TYR A 45 3.686 -8.791 8.501 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.752 -7.838 4.718 1.00 1.00 H new ATOM 0 HE2 TYR A 45 6.123 -9.149 8.755 1.00 1.00 H new ATOM 0 HH TYR A 45 8.438 -8.103 6.332 1.00 1.00 H new ATOM 705 N ILE A 46 2.873 -4.603 4.883 1.00 1.00 N ATOM 706 CA ILE A 46 3.258 -3.879 3.651 1.00 1.00 C ATOM 707 C ILE A 46 4.791 -3.887 3.520 1.00 1.00 C ATOM 708 O ILE A 46 5.538 -3.702 4.480 1.00 1.00 O ATOM 709 CB ILE A 46 2.702 -2.395 3.722 1.00 1.00 C ATOM 710 CG1 ILE A 46 1.236 -2.307 3.153 1.00 1.00 C ATOM 711 CG2 ILE A 46 3.606 -1.377 2.926 1.00 1.00 C ATOM 712 CD1 ILE A 46 0.288 -3.329 3.790 1.00 1.00 C ATOM 0 H ILE A 46 3.116 -4.107 5.740 1.00 1.00 H new ATOM 0 HA ILE A 46 2.831 -4.367 2.775 1.00 1.00 H new ATOM 0 HB ILE A 46 2.710 -2.124 4.778 1.00 1.00 H new ATOM 0 HG12 ILE A 46 0.846 -1.303 3.321 1.00 1.00 H new ATOM 0 HG13 ILE A 46 1.260 -2.464 2.075 1.00 1.00 H new ATOM 0 HG21 ILE A 46 3.183 -0.376 3.005 1.00 1.00 H new ATOM 0 HG22 ILE A 46 4.612 -1.380 3.344 1.00 1.00 H new ATOM 0 HG23 ILE A 46 3.648 -1.671 1.877 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -0.707 -3.221 3.358 1.00 1.00 H new ATOM 0 HD12 ILE A 46 0.658 -4.336 3.600 1.00 1.00 H new ATOM 0 HD13 ILE A 46 0.238 -3.158 4.865 1.00 1.00 H new ATOM 724 N HIS A 47 5.255 -4.083 2.289 1.00 1.00 N ATOM 725 CA HIS A 47 6.685 -4.094 1.966 1.00 1.00 C ATOM 726 C HIS A 47 6.904 -3.420 0.602 1.00 1.00 C ATOM 727 O HIS A 47 6.168 -3.647 -0.358 1.00 1.00 O ATOM 728 CB HIS A 47 7.208 -5.545 1.947 1.00 1.00 C ATOM 729 CG HIS A 47 6.428 -6.364 0.957 1.00 1.00 C ATOM 730 ND1 HIS A 47 6.998 -6.844 -0.208 1.00 1.00 N ATOM 731 CD2 HIS A 47 5.127 -6.788 0.943 1.00 1.00 C ATOM 732 CE1 HIS A 47 6.049 -7.525 -0.872 1.00 1.00 C ATOM 733 NE2 HIS A 47 4.886 -7.520 -0.217 1.00 1.00 N ATOM 0 H HIS A 47 4.651 -4.240 1.482 1.00 1.00 H new ATOM 0 HA HIS A 47 7.237 -3.541 2.726 1.00 1.00 H new ATOM 0 HB2 HIS A 47 8.266 -5.555 1.685 1.00 1.00 H new ATOM 0 HB3 HIS A 47 7.122 -5.984 2.941 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.398 -6.586 1.714 1.00 1.00 H new ATOM 0 HE1 HIS A 47 6.208 -8.017 -1.820 1.00 1.00 H new ATOM 0 HE2 HIS A 47 4.010 -7.958 -0.504 1.00 1.00 H new ATOM 742 N TYR A 48 7.940 -2.590 0.517 1.00 1.00 N ATOM 743 CA TYR A 48 8.262 -1.880 -0.723 1.00 1.00 C ATOM 744 C TYR A 48 8.840 -2.858 -1.758 1.00 1.00 C ATOM 745 O TYR A 48 9.758 -3.630 -1.476 1.00 1.00 O ATOM 746 CB TYR A 48 9.267 -0.758 -0.411 1.00 1.00 C ATOM 747 CG TYR A 48 8.624 0.238 0.570 1.00 1.00 C ATOM 748 CD1 TYR A 48 8.723 0.032 1.960 1.00 1.00 C ATOM 749 CD2 TYR A 48 7.912 1.356 0.086 1.00 1.00 C ATOM 750 CE1 TYR A 48 8.122 0.934 2.849 1.00 1.00 C ATOM 751 CE2 TYR A 48 7.313 2.251 0.980 1.00 1.00 C ATOM 752 CZ TYR A 48 7.419 2.040 2.359 1.00 1.00 C ATOM 753 OH TYR A 48 6.826 2.923 3.237 1.00 1.00 O ATOM 0 H TYR A 48 8.573 -2.391 1.292 1.00 1.00 H new ATOM 0 HA TYR A 48 7.357 -1.442 -1.143 1.00 1.00 H new ATOM 0 HB2 TYR A 48 10.176 -1.177 0.021 1.00 1.00 H new ATOM 0 HB3 TYR A 48 9.557 -0.247 -1.329 1.00 1.00 H new ATOM 0 HD1 TYR A 48 9.263 -0.822 2.341 1.00 1.00 H new ATOM 0 HD2 TYR A 48 7.829 1.522 -0.978 1.00 1.00 H new ATOM 0 HE1 TYR A 48 8.202 0.775 3.914 1.00 1.00 H new ATOM 0 HE2 TYR A 48 6.769 3.105 0.605 1.00 1.00 H new ATOM 0 HH TYR A 48 7.198 3.819 3.100 1.00 1.00 H new ATOM 763 N ALA A 49 8.286 -2.826 -2.967 1.00 1.00 N ATOM 764 CA ALA A 49 8.730 -3.714 -4.052 1.00 1.00 C ATOM 765 C ALA A 49 10.107 -3.285 -4.582 1.00 1.00 C ATOM 766 O ALA A 49 10.434 -2.099 -4.616 1.00 1.00 O ATOM 767 CB ALA A 49 7.696 -3.674 -5.191 1.00 1.00 C ATOM 0 H ALA A 49 7.527 -2.196 -3.226 1.00 1.00 H new ATOM 0 HA ALA A 49 8.817 -4.729 -3.664 1.00 1.00 H new ATOM 0 HB1 ALA A 49 8.019 -4.330 -5.999 1.00 1.00 H new ATOM 0 HB2 ALA A 49 6.729 -4.009 -4.816 1.00 1.00 H new ATOM 0 HB3 ALA A 49 7.607 -2.654 -5.566 1.00 1.00 H new ATOM 773 N GLY A 50 10.911 -4.255 -5.006 1.00 1.00 N ATOM 774 CA GLY A 50 12.256 -3.993 -5.548 1.00 1.00 C ATOM 775 C GLY A 50 13.270 -3.764 -4.433 1.00 1.00 C ATOM 776 O GLY A 50 14.358 -3.238 -4.667 1.00 1.00 O ATOM 0 H GLY A 50 10.658 -5.243 -4.987 1.00 1.00 H new ATOM 0 HA2 GLY A 50 12.573 -4.836 -6.163 1.00 1.00 H new ATOM 0 HA3 GLY A 50 12.224 -3.119 -6.198 1.00 1.00 H new ATOM 780 N TRP A 51 12.919 -4.167 -3.217 1.00 1.00 N ATOM 781 CA TRP A 51 13.806 -4.004 -2.043 1.00 1.00 C ATOM 782 C TRP A 51 13.738 -5.228 -1.129 1.00 1.00 C ATOM 783 O TRP A 51 12.951 -6.151 -1.337 1.00 1.00 O ATOM 784 CB TRP A 51 13.388 -2.739 -1.266 1.00 1.00 C ATOM 785 CG TRP A 51 13.541 -1.529 -2.156 1.00 1.00 C ATOM 786 CD1 TRP A 51 12.530 -0.831 -2.732 1.00 1.00 C ATOM 787 CD2 TRP A 51 14.773 -0.875 -2.580 1.00 1.00 C ATOM 788 NE1 TRP A 51 13.064 0.205 -3.476 1.00 1.00 N ATOM 789 CE2 TRP A 51 14.443 0.219 -3.414 1.00 1.00 C ATOM 790 CE3 TRP A 51 16.131 -1.126 -2.321 1.00 1.00 C ATOM 791 CZ2 TRP A 51 15.426 1.036 -3.974 1.00 1.00 C ATOM 792 CZ3 TRP A 51 17.126 -0.305 -2.882 1.00 1.00 C ATOM 793 CH2 TRP A 51 16.774 0.773 -3.708 1.00 1.00 C ATOM 0 H TRP A 51 12.026 -4.612 -3.006 1.00 1.00 H new ATOM 0 HA TRP A 51 14.834 -3.902 -2.390 1.00 1.00 H new ATOM 0 HB2 TRP A 51 12.355 -2.829 -0.931 1.00 1.00 H new ATOM 0 HB3 TRP A 51 14.003 -2.627 -0.373 1.00 1.00 H new ATOM 0 HD1 TRP A 51 11.478 -1.049 -2.626 1.00 1.00 H new ATOM 0 HE1 TRP A 51 12.508 0.876 -4.005 1.00 1.00 H new ATOM 0 HE3 TRP A 51 16.413 -1.954 -1.687 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 15.148 1.865 -4.608 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 18.167 -0.506 -2.676 1.00 1.00 H new ATOM 0 HH2 TRP A 51 17.542 1.399 -4.138 1.00 1.00 H new ATOM 804 N SER A 52 14.587 -5.233 -0.107 1.00 1.00 N ATOM 805 CA SER A 52 14.645 -6.341 0.850 1.00 1.00 C ATOM 806 C SER A 52 13.322 -6.466 1.611 1.00 1.00 C ATOM 807 O SER A 52 12.695 -5.465 1.958 1.00 1.00 O ATOM 808 CB SER A 52 15.788 -6.103 1.846 1.00 1.00 C ATOM 809 OG SER A 52 15.837 -7.182 2.770 1.00 1.00 O ATOM 0 H SER A 52 15.249 -4.480 0.084 1.00 1.00 H new ATOM 0 HA SER A 52 14.822 -7.266 0.301 1.00 1.00 H new ATOM 0 HB2 SER A 52 16.737 -6.020 1.316 1.00 1.00 H new ATOM 0 HB3 SER A 52 15.635 -5.162 2.375 1.00 1.00 H new ATOM 0 HG SER A 52 16.639 -7.720 2.602 1.00 1.00 H new ATOM 815 N LYS A 53 12.903 -7.700 1.873 1.00 1.00 N ATOM 816 CA LYS A 53 11.653 -7.990 2.587 1.00 1.00 C ATOM 817 C LYS A 53 11.853 -7.894 4.099 1.00 1.00 C ATOM 818 O LYS A 53 10.889 -7.960 4.862 1.00 1.00 O ATOM 819 CB LYS A 53 11.164 -9.404 2.208 1.00 1.00 C ATOM 820 CG LYS A 53 10.874 -9.483 0.688 1.00 1.00 C ATOM 821 CD LYS A 53 10.442 -10.920 0.269 1.00 1.00 C ATOM 822 CE LYS A 53 9.053 -11.303 0.844 1.00 1.00 C ATOM 823 NZ LYS A 53 8.558 -12.526 0.152 1.00 1.00 N ATOM 0 H LYS A 53 13.420 -8.535 1.597 1.00 1.00 H new ATOM 0 HA LYS A 53 10.905 -7.252 2.297 1.00 1.00 H new ATOM 0 HB2 LYS A 53 11.918 -10.142 2.480 1.00 1.00 H new ATOM 0 HB3 LYS A 53 10.263 -9.647 2.770 1.00 1.00 H new ATOM 0 HG2 LYS A 53 10.088 -8.774 0.428 1.00 1.00 H new ATOM 0 HG3 LYS A 53 11.764 -9.191 0.130 1.00 1.00 H new ATOM 0 HD2 LYS A 53 10.415 -10.987 -0.819 1.00 1.00 H new ATOM 0 HD3 LYS A 53 11.187 -11.637 0.614 1.00 1.00 H new ATOM 0 HE2 LYS A 53 9.127 -11.482 1.917 1.00 1.00 H new ATOM 0 HE3 LYS A 53 8.350 -10.482 0.705 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 7.627 -12.788 0.533 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 8.474 -12.338 -0.867 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 9.227 -13.307 0.306 1.00 1.00 H new ATOM 837 N ASN A 54 13.095 -7.748 4.547 1.00 1.00 N ATOM 838 CA ASN A 54 13.412 -7.655 5.975 1.00 1.00 C ATOM 839 C ASN A 54 12.946 -6.320 6.539 1.00 1.00 C ATOM 840 O ASN A 54 13.063 -6.066 7.737 1.00 1.00 O ATOM 841 CB ASN A 54 14.933 -7.807 6.175 1.00 1.00 C ATOM 842 CG ASN A 54 15.407 -9.138 5.593 1.00 1.00 C ATOM 843 OD1 ASN A 54 14.838 -10.185 5.899 1.00 1.00 O ATOM 844 ND2 ASN A 54 16.420 -9.158 4.769 1.00 1.00 N ATOM 0 H ASN A 54 13.910 -7.691 3.937 1.00 1.00 H new ATOM 0 HA ASN A 54 12.893 -8.454 6.505 1.00 1.00 H new ATOM 0 HB2 ASN A 54 15.456 -6.982 5.691 1.00 1.00 H new ATOM 0 HB3 ASN A 54 15.175 -7.758 7.237 1.00 1.00 H new ATOM 0 HD21 ASN A 54 16.741 -10.043 4.377 1.00 1.00 H new ATOM 0 HD22 ASN A 54 16.890 -8.288 4.517 1.00 1.00 H new ATOM 851 N TRP A 55 12.406 -5.464 5.676 1.00 1.00 N ATOM 852 CA TRP A 55 11.923 -4.145 6.079 1.00 1.00 C ATOM 853 C TRP A 55 10.737 -4.301 7.032 1.00 1.00 C ATOM 854 O TRP A 55 10.586 -3.531 7.981 1.00 1.00 O ATOM 855 CB TRP A 55 11.525 -3.360 4.811 1.00 1.00 C ATOM 856 CG TRP A 55 11.210 -1.928 5.152 1.00 1.00 C ATOM 857 CD1 TRP A 55 9.989 -1.347 5.095 1.00 1.00 C ATOM 858 CD2 TRP A 55 12.134 -0.890 5.593 1.00 1.00 C ATOM 859 NE1 TRP A 55 10.104 -0.027 5.486 1.00 1.00 N ATOM 860 CE2 TRP A 55 11.405 0.303 5.799 1.00 1.00 C ATOM 861 CE3 TRP A 55 13.520 -0.870 5.835 1.00 1.00 C ATOM 862 CZ2 TRP A 55 12.026 1.479 6.230 1.00 1.00 C ATOM 863 CZ3 TRP A 55 14.151 0.310 6.269 1.00 1.00 C ATOM 864 CH2 TRP A 55 13.405 1.482 6.466 1.00 1.00 C ATOM 0 H TRP A 55 12.291 -5.663 4.682 1.00 1.00 H new ATOM 0 HA TRP A 55 12.703 -3.595 6.605 1.00 1.00 H new ATOM 0 HB2 TRP A 55 12.337 -3.396 4.084 1.00 1.00 H new ATOM 0 HB3 TRP A 55 10.658 -3.828 4.344 1.00 1.00 H new ATOM 0 HD1 TRP A 55 9.074 -1.835 4.793 1.00 1.00 H new ATOM 0 HE1 TRP A 55 9.321 0.625 5.537 1.00 1.00 H new ATOM 0 HE3 TRP A 55 14.103 -1.767 5.687 1.00 1.00 H new ATOM 0 HZ2 TRP A 55 11.446 2.378 6.380 1.00 1.00 H new ATOM 0 HZ3 TRP A 55 15.215 0.314 6.452 1.00 1.00 H new ATOM 0 HH2 TRP A 55 13.895 2.385 6.799 1.00 1.00 H new ATOM 875 N ASP A 56 9.906 -5.307 6.782 1.00 1.00 N ATOM 876 CA ASP A 56 8.724 -5.636 7.621 1.00 1.00 C ATOM 877 C ASP A 56 8.069 -4.397 8.266 1.00 1.00 C ATOM 878 O ASP A 56 8.282 -4.127 9.448 1.00 1.00 O ATOM 879 CB ASP A 56 9.147 -6.644 8.715 1.00 1.00 C ATOM 880 CG ASP A 56 7.938 -7.163 9.513 1.00 1.00 C ATOM 881 OD1 ASP A 56 6.843 -6.653 9.320 1.00 1.00 O ATOM 882 OD2 ASP A 56 8.130 -8.069 10.306 1.00 1.00 O ATOM 0 H ASP A 56 10.022 -5.933 5.985 1.00 1.00 H new ATOM 0 HA ASP A 56 7.971 -6.072 6.965 1.00 1.00 H new ATOM 0 HB2 ASP A 56 9.666 -7.484 8.254 1.00 1.00 H new ATOM 0 HB3 ASP A 56 9.853 -6.167 9.395 1.00 1.00 H new ATOM 887 N GLU A 57 7.294 -3.630 7.507 1.00 1.00 N ATOM 888 CA GLU A 57 6.643 -2.401 8.050 1.00 1.00 C ATOM 889 C GLU A 57 5.119 -2.570 8.107 1.00 1.00 C ATOM 890 O GLU A 57 4.440 -2.622 7.083 1.00 1.00 O ATOM 891 CB GLU A 57 7.030 -1.186 7.164 1.00 1.00 C ATOM 892 CG GLU A 57 6.587 0.167 7.801 1.00 1.00 C ATOM 893 CD GLU A 57 7.367 0.476 9.086 1.00 1.00 C ATOM 894 OE1 GLU A 57 8.463 -0.039 9.239 1.00 1.00 O ATOM 895 OE2 GLU A 57 6.850 1.226 9.899 1.00 1.00 O ATOM 0 H GLU A 57 7.091 -3.817 6.525 1.00 1.00 H new ATOM 0 HA GLU A 57 6.992 -2.230 9.068 1.00 1.00 H new ATOM 0 HB2 GLU A 57 8.109 -1.178 7.011 1.00 1.00 H new ATOM 0 HB3 GLU A 57 6.569 -1.292 6.182 1.00 1.00 H new ATOM 0 HG2 GLU A 57 6.737 0.973 7.083 1.00 1.00 H new ATOM 0 HG3 GLU A 57 5.520 0.132 8.023 1.00 1.00 H new ATOM 902 N TRP A 58 4.578 -2.633 9.319 1.00 1.00 N ATOM 903 CA TRP A 58 3.138 -2.770 9.561 1.00 1.00 C ATOM 904 C TRP A 58 2.507 -1.361 9.557 1.00 1.00 C ATOM 905 O TRP A 58 3.018 -0.427 10.174 1.00 1.00 O ATOM 906 CB TRP A 58 2.912 -3.479 10.941 1.00 1.00 C ATOM 907 CG TRP A 58 2.924 -4.981 10.798 1.00 1.00 C ATOM 908 CD1 TRP A 58 1.932 -5.712 10.239 1.00 1.00 C ATOM 909 CD2 TRP A 58 3.949 -5.934 11.208 1.00 1.00 C ATOM 910 NE1 TRP A 58 2.276 -7.052 10.293 1.00 1.00 N ATOM 911 CE2 TRP A 58 3.511 -7.240 10.877 1.00 1.00 C ATOM 912 CE3 TRP A 58 5.202 -5.793 11.830 1.00 1.00 C ATOM 913 CZ2 TRP A 58 4.285 -8.368 11.155 1.00 1.00 C ATOM 914 CZ3 TRP A 58 5.987 -6.927 12.111 1.00 1.00 C ATOM 915 CH2 TRP A 58 5.529 -8.211 11.774 1.00 1.00 C ATOM 0 H TRP A 58 5.131 -2.590 10.175 1.00 1.00 H new ATOM 0 HA TRP A 58 2.670 -3.374 8.784 1.00 1.00 H new ATOM 0 HB2 TRP A 58 3.690 -3.173 11.641 1.00 1.00 H new ATOM 0 HB3 TRP A 58 1.959 -3.160 11.364 1.00 1.00 H new ATOM 0 HD1 TRP A 58 1.020 -5.315 9.819 1.00 1.00 H new ATOM 0 HE1 TRP A 58 1.688 -7.808 9.943 1.00 1.00 H new ATOM 0 HE3 TRP A 58 5.564 -4.810 12.093 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 3.926 -9.353 10.894 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 6.948 -6.809 12.589 1.00 1.00 H new ATOM 0 HH2 TRP A 58 6.137 -9.076 11.993 1.00 1.00 H new ATOM 926 N VAL A 59 1.381 -1.214 8.867 1.00 1.00 N ATOM 927 CA VAL A 59 0.697 0.119 8.778 1.00 1.00 C ATOM 928 C VAL A 59 -0.853 0.004 8.847 1.00 1.00 C ATOM 929 O VAL A 59 -1.397 -0.989 8.361 1.00 1.00 O ATOM 930 CB VAL A 59 1.123 0.797 7.441 1.00 1.00 C ATOM 931 CG1 VAL A 59 2.661 1.031 7.412 1.00 1.00 C ATOM 932 CG2 VAL A 59 0.723 -0.097 6.244 1.00 1.00 C ATOM 0 H VAL A 59 0.913 -1.968 8.364 1.00 1.00 H new ATOM 0 HA VAL A 59 1.001 0.719 9.636 1.00 1.00 H new ATOM 0 HB VAL A 59 0.614 1.758 7.368 1.00 1.00 H new ATOM 0 HG11 VAL A 59 2.939 1.505 6.471 1.00 1.00 H new ATOM 0 HG12 VAL A 59 2.946 1.677 8.242 1.00 1.00 H new ATOM 0 HG13 VAL A 59 3.176 0.075 7.503 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.024 0.384 5.314 1.00 1.00 H new ATOM 0 HG22 VAL A 59 1.219 -1.064 6.330 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -0.357 -0.243 6.244 1.00 1.00 H new ATOM 942 N PRO A 60 -1.540 0.976 9.382 1.00 1.00 N ATOM 943 CA PRO A 60 -3.048 0.925 9.456 1.00 1.00 C ATOM 944 C PRO A 60 -3.693 1.190 8.083 1.00 1.00 C ATOM 945 O PRO A 60 -3.119 1.855 7.220 1.00 1.00 O ATOM 946 CB PRO A 60 -3.384 2.048 10.473 1.00 1.00 C ATOM 947 CG PRO A 60 -2.331 3.080 10.191 1.00 1.00 C ATOM 948 CD PRO A 60 -1.042 2.258 9.983 1.00 1.00 C ATOM 0 HA PRO A 60 -3.429 -0.051 9.756 1.00 1.00 H new ATOM 0 HB2 PRO A 60 -4.388 2.443 10.321 1.00 1.00 H new ATOM 0 HB3 PRO A 60 -3.334 1.690 11.501 1.00 1.00 H new ATOM 0 HG2 PRO A 60 -2.576 3.667 9.306 1.00 1.00 H new ATOM 0 HG3 PRO A 60 -2.227 3.780 11.020 1.00 1.00 H new ATOM 0 HD2 PRO A 60 -0.343 2.768 9.320 1.00 1.00 H new ATOM 0 HD3 PRO A 60 -0.520 2.084 10.924 1.00 1.00 H new ATOM 956 N GLU A 61 -4.903 0.675 7.893 1.00 1.00 N ATOM 957 CA GLU A 61 -5.642 0.852 6.627 1.00 1.00 C ATOM 958 C GLU A 61 -5.688 2.332 6.197 1.00 1.00 C ATOM 959 O GLU A 61 -5.910 2.660 5.032 1.00 1.00 O ATOM 960 CB GLU A 61 -7.086 0.306 6.786 1.00 1.00 C ATOM 961 CG GLU A 61 -7.770 0.950 8.014 1.00 1.00 C ATOM 962 CD GLU A 61 -9.185 0.395 8.190 1.00 1.00 C ATOM 963 OE1 GLU A 61 -9.313 -0.664 8.780 1.00 1.00 O ATOM 964 OE2 GLU A 61 -10.115 1.039 7.733 1.00 1.00 O ATOM 0 H GLU A 61 -5.402 0.129 8.595 1.00 1.00 H new ATOM 0 HA GLU A 61 -5.118 0.295 5.850 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -7.664 0.518 5.886 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -7.062 -0.778 6.901 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -7.182 0.754 8.910 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -7.810 2.032 7.890 1.00 1.00 H new ATOM 971 N ASN A 62 -5.476 3.227 7.155 1.00 1.00 N ATOM 972 CA ASN A 62 -5.502 4.670 6.890 1.00 1.00 C ATOM 973 C ASN A 62 -4.376 5.091 5.929 1.00 1.00 C ATOM 974 O ASN A 62 -4.587 5.917 5.040 1.00 1.00 O ATOM 975 CB ASN A 62 -5.368 5.425 8.228 1.00 1.00 C ATOM 976 CG ASN A 62 -5.452 6.938 8.018 1.00 1.00 C ATOM 977 OD1 ASN A 62 -4.428 7.607 7.898 1.00 1.00 O ATOM 978 ND2 ASN A 62 -6.622 7.512 7.964 1.00 1.00 N ATOM 0 H ASN A 62 -5.283 2.983 8.126 1.00 1.00 H new ATOM 0 HA ASN A 62 -6.448 4.919 6.410 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -6.156 5.105 8.910 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -4.418 5.172 8.698 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -6.690 8.520 7.822 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -7.469 6.953 8.064 1.00 1.00 H new ATOM 985 N ARG A 63 -3.178 4.546 6.115 1.00 1.00 N ATOM 986 CA ARG A 63 -2.011 4.890 5.264 1.00 1.00 C ATOM 987 C ARG A 63 -1.934 3.987 4.026 1.00 1.00 C ATOM 988 O ARG A 63 -1.081 4.185 3.161 1.00 1.00 O ATOM 989 CB ARG A 63 -0.712 4.812 6.109 1.00 1.00 C ATOM 990 CG ARG A 63 0.560 5.160 5.253 1.00 1.00 C ATOM 991 CD ARG A 63 1.739 5.580 6.167 1.00 1.00 C ATOM 992 NE ARG A 63 1.938 4.594 7.236 1.00 1.00 N ATOM 993 CZ ARG A 63 2.800 4.802 8.238 1.00 1.00 C ATOM 994 NH1 ARG A 63 3.539 5.881 8.267 1.00 1.00 N ATOM 995 NH2 ARG A 63 2.900 3.930 9.200 1.00 1.00 N ATOM 0 H ARG A 63 -2.975 3.862 6.844 1.00 1.00 H new ATOM 0 HA ARG A 63 -2.130 5.910 4.900 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -0.784 5.501 6.951 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -0.608 3.810 6.525 1.00 1.00 H new ATOM 0 HG2 ARG A 63 0.848 4.296 4.654 1.00 1.00 H new ATOM 0 HG3 ARG A 63 0.327 5.967 4.558 1.00 1.00 H new ATOM 0 HD2 ARG A 63 2.650 5.673 5.576 1.00 1.00 H new ATOM 0 HD3 ARG A 63 1.539 6.560 6.601 1.00 1.00 H new ATOM 0 HE ARG A 63 1.404 3.725 7.214 1.00 1.00 H new ATOM 0 HH11 ARG A 63 3.461 6.573 7.521 1.00 1.00 H new ATOM 0 HH12 ARG A 63 4.193 6.031 9.035 1.00 1.00 H new ATOM 0 HH21 ARG A 63 2.322 3.090 9.189 1.00 1.00 H new ATOM 0 HH22 ARG A 63 3.557 4.087 9.965 1.00 1.00 H new ATOM 1009 N VAL A 64 -2.837 3.017 3.918 1.00 1.00 N ATOM 1010 CA VAL A 64 -2.866 2.095 2.752 1.00 1.00 C ATOM 1011 C VAL A 64 -3.899 2.585 1.729 1.00 1.00 C ATOM 1012 O VAL A 64 -5.047 2.884 2.055 1.00 1.00 O ATOM 1013 CB VAL A 64 -3.220 0.645 3.202 1.00 1.00 C ATOM 1014 CG1 VAL A 64 -3.148 -0.342 2.002 1.00 1.00 C ATOM 1015 CG2 VAL A 64 -2.223 0.191 4.288 1.00 1.00 C ATOM 0 H VAL A 64 -3.562 2.837 4.613 1.00 1.00 H new ATOM 0 HA VAL A 64 -1.876 2.084 2.296 1.00 1.00 H new ATOM 0 HB VAL A 64 -4.236 0.644 3.596 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -3.399 -1.347 2.342 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -3.855 -0.032 1.233 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -2.139 -0.340 1.589 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -2.467 -0.823 4.605 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -1.211 0.211 3.884 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -2.285 0.864 5.143 1.00 1.00 H new ATOM 1025 N LEU A 65 -3.484 2.656 0.469 1.00 1.00 N ATOM 1026 CA LEU A 65 -4.382 3.096 -0.629 1.00 1.00 C ATOM 1027 C LEU A 65 -4.498 1.989 -1.683 1.00 1.00 C ATOM 1028 O LEU A 65 -3.509 1.402 -2.119 1.00 1.00 O ATOM 1029 CB LEU A 65 -3.836 4.399 -1.265 1.00 1.00 C ATOM 1030 CG LEU A 65 -4.806 4.988 -2.352 1.00 1.00 C ATOM 1031 CD1 LEU A 65 -6.179 5.426 -1.739 1.00 1.00 C ATOM 1032 CD2 LEU A 65 -4.123 6.205 -3.028 1.00 1.00 C ATOM 0 H LEU A 65 -2.539 2.419 0.168 1.00 1.00 H new ATOM 0 HA LEU A 65 -5.374 3.296 -0.225 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -3.676 5.142 -0.484 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -2.865 4.200 -1.718 1.00 1.00 H new ATOM 0 HG LEU A 65 -5.011 4.207 -3.085 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -6.818 5.827 -2.526 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -6.665 4.564 -1.281 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -6.012 6.192 -0.982 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -4.788 6.622 -3.785 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -3.907 6.965 -2.277 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -3.193 5.885 -3.499 1.00 1.00 H new ATOM 1044 N LYS A 66 -5.729 1.719 -2.106 1.00 1.00 N ATOM 1045 CA LYS A 66 -5.990 0.685 -3.106 1.00 1.00 C ATOM 1046 C LYS A 66 -5.426 1.096 -4.461 1.00 1.00 C ATOM 1047 O LYS A 66 -5.211 2.278 -4.728 1.00 1.00 O ATOM 1048 CB LYS A 66 -7.516 0.434 -3.204 1.00 1.00 C ATOM 1049 CG LYS A 66 -8.280 1.765 -3.447 1.00 1.00 C ATOM 1050 CD LYS A 66 -9.788 1.499 -3.708 1.00 1.00 C ATOM 1051 CE LYS A 66 -10.487 0.861 -2.480 1.00 1.00 C ATOM 1052 NZ LYS A 66 -11.962 0.986 -2.646 1.00 1.00 N ATOM 0 H LYS A 66 -6.563 2.202 -1.772 1.00 1.00 H new ATOM 0 HA LYS A 66 -5.496 -0.238 -2.802 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -7.723 -0.263 -4.016 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -7.872 -0.032 -2.285 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -8.166 2.417 -2.581 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -7.846 2.288 -4.299 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -10.283 2.437 -3.960 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -9.896 0.840 -4.569 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -10.205 -0.188 -2.389 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -10.167 1.358 -1.564 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -12.441 0.561 -1.827 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -12.220 1.991 -2.714 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -12.257 0.493 -3.513 1.00 1.00 H new ATOM 1066 N TYR A 67 -5.198 0.108 -5.320 1.00 1.00 N ATOM 1067 CA TYR A 67 -4.664 0.364 -6.664 1.00 1.00 C ATOM 1068 C TYR A 67 -5.822 0.606 -7.639 1.00 1.00 C ATOM 1069 O TYR A 67 -6.696 -0.244 -7.815 1.00 1.00 O ATOM 1070 CB TYR A 67 -3.822 -0.845 -7.130 1.00 1.00 C ATOM 1071 CG TYR A 67 -3.170 -0.537 -8.490 1.00 1.00 C ATOM 1072 CD1 TYR A 67 -1.927 0.126 -8.546 1.00 1.00 C ATOM 1073 CD2 TYR A 67 -3.816 -0.897 -9.689 1.00 1.00 C ATOM 1074 CE1 TYR A 67 -1.339 0.419 -9.783 1.00 1.00 C ATOM 1075 CE2 TYR A 67 -3.224 -0.597 -10.923 1.00 1.00 C ATOM 1076 CZ TYR A 67 -1.988 0.058 -10.969 1.00 1.00 C ATOM 1077 OH TYR A 67 -1.408 0.352 -12.186 1.00 1.00 O ATOM 0 H TYR A 67 -5.372 -0.876 -5.116 1.00 1.00 H new ATOM 0 HA TYR A 67 -4.028 1.249 -6.639 1.00 1.00 H new ATOM 0 HB2 TYR A 67 -3.053 -1.070 -6.391 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -4.454 -1.729 -7.212 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -1.426 0.409 -7.632 1.00 1.00 H new ATOM 0 HD2 TYR A 67 -4.769 -1.405 -9.657 1.00 1.00 H new ATOM 0 HE1 TYR A 67 -0.385 0.923 -9.821 1.00 1.00 H new ATOM 0 HE2 TYR A 67 -3.723 -0.872 -11.841 1.00 1.00 H new ATOM 0 HH TYR A 67 -1.987 0.033 -12.910 1.00 1.00 H new ATOM 1087 N ASN A 68 -5.820 1.768 -8.284 1.00 1.00 N ATOM 1088 CA ASN A 68 -6.877 2.116 -9.245 1.00 1.00 C ATOM 1089 C ASN A 68 -6.358 3.126 -10.261 1.00 1.00 C ATOM 1090 O ASN A 68 -5.532 3.979 -9.938 1.00 1.00 O ATOM 1091 CB ASN A 68 -8.091 2.695 -8.492 1.00 1.00 C ATOM 1092 CG ASN A 68 -9.252 2.970 -9.451 1.00 1.00 C ATOM 1093 OD1 ASN A 68 -9.640 4.122 -9.644 1.00 1.00 O ATOM 1094 ND2 ASN A 68 -9.825 1.972 -10.064 1.00 1.00 N ATOM 0 H ASN A 68 -5.105 2.486 -8.164 1.00 1.00 H new ATOM 0 HA ASN A 68 -7.182 1.216 -9.779 1.00 1.00 H new ATOM 0 HB2 ASN A 68 -8.411 1.996 -7.719 1.00 1.00 H new ATOM 0 HB3 ASN A 68 -7.804 3.618 -7.988 1.00 1.00 H new ATOM 0 HD21 ASN A 68 -10.598 2.144 -10.707 1.00 1.00 H new ATOM 0 HD22 ASN A 68 -9.500 1.019 -9.901 1.00 1.00 H new ATOM 1101 N ASP A 69 -6.863 3.025 -11.487 1.00 1.00 N ATOM 1102 CA ASP A 69 -6.467 3.930 -12.566 1.00 1.00 C ATOM 1103 C ASP A 69 -6.480 5.401 -12.107 1.00 1.00 C ATOM 1104 O ASP A 69 -5.723 6.225 -12.620 1.00 1.00 O ATOM 1105 CB ASP A 69 -7.423 3.738 -13.756 1.00 1.00 C ATOM 1106 CG ASP A 69 -8.863 4.027 -13.325 1.00 1.00 C ATOM 1107 OD1 ASP A 69 -9.259 3.516 -12.291 1.00 1.00 O ATOM 1108 OD2 ASP A 69 -9.540 4.760 -14.027 1.00 1.00 O ATOM 0 H ASP A 69 -7.550 2.323 -11.761 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.446 3.691 -12.863 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -7.139 4.403 -14.572 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -7.346 2.719 -14.134 1.00 1.00 H new ATOM 1113 N ASP A 70 -7.335 5.725 -11.142 1.00 1.00 N ATOM 1114 CA ASP A 70 -7.436 7.091 -10.611 1.00 1.00 C ATOM 1115 C ASP A 70 -6.235 7.404 -9.719 1.00 1.00 C ATOM 1116 O ASP A 70 -5.640 8.475 -9.826 1.00 1.00 O ATOM 1117 CB ASP A 70 -8.750 7.262 -9.813 1.00 1.00 C ATOM 1118 CG ASP A 70 -8.939 8.727 -9.388 1.00 1.00 C ATOM 1119 OD1 ASP A 70 -9.056 9.564 -10.270 1.00 1.00 O ATOM 1120 OD2 ASP A 70 -8.953 8.988 -8.197 1.00 1.00 O ATOM 0 H ASP A 70 -7.974 5.060 -10.706 1.00 1.00 H new ATOM 0 HA ASP A 70 -7.442 7.788 -11.449 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -9.596 6.943 -10.422 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -8.732 6.621 -8.931 1.00 1.00 H new ATOM 1125 N ASN A 71 -5.870 6.480 -8.837 1.00 1.00 N ATOM 1126 CA ASN A 71 -4.722 6.680 -7.937 1.00 1.00 C ATOM 1127 C ASN A 71 -3.450 6.806 -8.773 1.00 1.00 C ATOM 1128 O ASN A 71 -2.566 7.611 -8.478 1.00 1.00 O ATOM 1129 CB ASN A 71 -4.608 5.512 -6.944 1.00 1.00 C ATOM 1130 CG ASN A 71 -5.903 5.380 -6.144 1.00 1.00 C ATOM 1131 OD1 ASN A 71 -6.466 6.381 -5.702 1.00 1.00 O ATOM 1132 ND2 ASN A 71 -6.408 4.196 -5.932 1.00 1.00 N ATOM 0 H ASN A 71 -6.346 5.585 -8.720 1.00 1.00 H new ATOM 0 HA ASN A 71 -4.865 7.594 -7.361 1.00 1.00 H new ATOM 0 HB2 ASN A 71 -4.406 4.585 -7.481 1.00 1.00 H new ATOM 0 HB3 ASN A 71 -3.769 5.678 -6.269 1.00 1.00 H new ATOM 0 HD21 ASN A 71 -7.272 4.098 -5.399 1.00 1.00 H new ATOM 0 HD22 ASN A 71 -5.939 3.368 -6.300 1.00 1.00 H new ATOM 1139 N VAL A 72 -3.370 6.011 -9.834 1.00 1.00 N ATOM 1140 CA VAL A 72 -2.222 6.057 -10.748 1.00 1.00 C ATOM 1141 C VAL A 72 -2.216 7.438 -11.424 1.00 1.00 C ATOM 1142 O VAL A 72 -1.172 8.083 -11.527 1.00 1.00 O ATOM 1143 CB VAL A 72 -2.332 4.922 -11.803 1.00 1.00 C ATOM 1144 CG1 VAL A 72 -1.151 4.980 -12.810 1.00 1.00 C ATOM 1145 CG2 VAL A 72 -2.326 3.550 -11.084 1.00 1.00 C ATOM 0 H VAL A 72 -4.082 5.326 -10.087 1.00 1.00 H new ATOM 0 HA VAL A 72 -1.290 5.907 -10.203 1.00 1.00 H new ATOM 0 HB VAL A 72 -3.263 5.053 -12.355 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -1.253 4.174 -13.537 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -1.161 5.939 -13.327 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -0.209 4.867 -12.273 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -2.403 2.752 -11.822 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -1.398 3.437 -10.523 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -3.173 3.494 -10.400 1.00 1.00 H new ATOM 1155 N LYS A 73 -3.386 7.887 -11.864 1.00 1.00 N ATOM 1156 CA LYS A 73 -3.548 9.192 -12.517 1.00 1.00 C ATOM 1157 C LYS A 73 -3.089 10.311 -11.563 1.00 1.00 C ATOM 1158 O LYS A 73 -2.431 11.267 -11.970 1.00 1.00 O ATOM 1159 CB LYS A 73 -5.032 9.382 -12.913 1.00 1.00 C ATOM 1160 CG LYS A 73 -5.245 10.692 -13.713 1.00 1.00 C ATOM 1161 CD LYS A 73 -6.735 10.828 -14.109 1.00 1.00 C ATOM 1162 CE LYS A 73 -6.967 12.114 -14.913 1.00 1.00 C ATOM 1163 NZ LYS A 73 -8.412 12.211 -15.259 1.00 1.00 N ATOM 0 H LYS A 73 -4.255 7.359 -11.780 1.00 1.00 H new ATOM 0 HA LYS A 73 -2.935 9.236 -13.417 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -5.361 8.532 -13.511 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -5.650 9.399 -12.015 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -4.939 11.549 -13.113 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -4.621 10.689 -14.606 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -7.040 9.964 -14.699 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -7.355 10.837 -13.213 1.00 1.00 H new ATOM 0 HE2 LYS A 73 -6.659 12.983 -14.331 1.00 1.00 H new ATOM 0 HE3 LYS A 73 -6.362 12.106 -15.820 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 -8.581 13.080 -15.805 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 -8.689 11.386 -15.828 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 -8.977 12.235 -14.386 1.00 1.00 H new ATOM 1177 N ARG A 74 -3.440 10.177 -10.287 1.00 1.00 N ATOM 1178 CA ARG A 74 -3.050 11.162 -9.261 1.00 1.00 C ATOM 1179 C ARG A 74 -1.525 11.166 -9.094 1.00 1.00 C ATOM 1180 O ARG A 74 -0.910 12.225 -8.960 1.00 1.00 O ATOM 1181 CB ARG A 74 -3.748 10.840 -7.910 1.00 1.00 C ATOM 1182 CG ARG A 74 -5.259 11.191 -7.974 1.00 1.00 C ATOM 1183 CD ARG A 74 -5.957 10.788 -6.662 1.00 1.00 C ATOM 1184 NE ARG A 74 -5.369 11.528 -5.533 1.00 1.00 N ATOM 1185 CZ ARG A 74 -5.636 12.820 -5.302 1.00 1.00 C ATOM 1186 NH1 ARG A 74 -6.466 13.478 -6.068 1.00 1.00 N ATOM 1187 NH2 ARG A 74 -5.068 13.427 -4.295 1.00 1.00 N ATOM 0 H ARG A 74 -3.994 9.398 -9.930 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.369 12.154 -9.582 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.625 9.783 -7.675 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -3.273 11.403 -7.107 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -5.384 12.260 -8.147 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -5.724 10.676 -8.814 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -7.025 10.998 -6.729 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -5.852 9.715 -6.499 1.00 1.00 H new ATOM 0 HE ARG A 74 -4.734 11.038 -4.903 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -6.919 13.008 -6.852 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -6.661 14.462 -5.882 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -4.425 12.917 -3.689 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -5.267 14.411 -4.114 1.00 1.00 H new ATOM 1201 N ARG A 75 -0.913 9.987 -9.109 1.00 1.00 N ATOM 1202 CA ARG A 75 0.548 9.872 -8.966 1.00 1.00 C ATOM 1203 C ARG A 75 1.200 10.507 -10.176 1.00 1.00 C ATOM 1204 O ARG A 75 2.220 11.190 -10.094 1.00 1.00 O ATOM 1205 CB ARG A 75 0.958 8.387 -8.836 1.00 1.00 C ATOM 1206 CG ARG A 75 2.493 8.254 -8.624 1.00 1.00 C ATOM 1207 CD ARG A 75 2.873 6.784 -8.372 1.00 1.00 C ATOM 1208 NE ARG A 75 4.328 6.666 -8.187 1.00 1.00 N ATOM 1209 CZ ARG A 75 5.190 6.797 -9.203 1.00 1.00 C ATOM 1210 NH1 ARG A 75 4.760 6.994 -10.421 1.00 1.00 N ATOM 1211 NH2 ARG A 75 6.474 6.714 -8.980 1.00 1.00 N ATOM 0 H ARG A 75 -1.397 9.096 -9.218 1.00 1.00 H new ATOM 0 HA ARG A 75 0.877 10.387 -8.063 1.00 1.00 H new ATOM 0 HB2 ARG A 75 0.430 7.931 -7.998 1.00 1.00 H new ATOM 0 HB3 ARG A 75 0.662 7.843 -9.733 1.00 1.00 H new ATOM 0 HG2 ARG A 75 3.022 8.628 -9.501 1.00 1.00 H new ATOM 0 HG3 ARG A 75 2.805 8.867 -7.778 1.00 1.00 H new ATOM 0 HD2 ARG A 75 2.354 6.412 -7.489 1.00 1.00 H new ATOM 0 HD3 ARG A 75 2.554 6.168 -9.212 1.00 1.00 H new ATOM 0 HE ARG A 75 4.692 6.478 -7.253 1.00 1.00 H new ATOM 0 HH11 ARG A 75 3.758 7.049 -10.606 1.00 1.00 H new ATOM 0 HH12 ARG A 75 5.426 7.092 -11.187 1.00 1.00 H new ATOM 0 HH21 ARG A 75 6.818 6.550 -8.034 1.00 1.00 H new ATOM 0 HH22 ARG A 75 7.133 6.813 -9.752 1.00 1.00 H new ATOM 1225 N GLN A 76 0.591 10.268 -11.332 1.00 1.00 N ATOM 1226 CA GLN A 76 1.059 10.811 -12.594 1.00 1.00 C ATOM 1227 C GLN A 76 0.876 12.336 -12.565 1.00 1.00 C ATOM 1228 O GLN A 76 1.699 13.091 -13.085 1.00 1.00 O ATOM 1229 CB GLN A 76 0.244 10.130 -13.719 1.00 1.00 C ATOM 1230 CG GLN A 76 0.399 10.834 -15.081 1.00 1.00 C ATOM 1231 CD GLN A 76 1.875 10.988 -15.466 1.00 1.00 C ATOM 1232 OE1 GLN A 76 2.305 12.082 -15.836 1.00 1.00 O ATOM 1233 NE2 GLN A 76 2.673 9.960 -15.399 1.00 1.00 N ATOM 0 H GLN A 76 -0.245 9.689 -11.416 1.00 1.00 H new ATOM 0 HA GLN A 76 2.117 10.616 -12.770 1.00 1.00 H new ATOM 0 HB2 GLN A 76 0.562 9.092 -13.814 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -0.810 10.116 -13.440 1.00 1.00 H new ATOM 0 HG2 GLN A 76 -0.121 10.262 -15.849 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -0.072 11.816 -15.041 1.00 1.00 H new ATOM 0 HE21 GLN A 76 2.315 9.055 -15.092 1.00 1.00 H new ATOM 0 HE22 GLN A 76 3.656 10.060 -15.653 1.00 1.00 H new ATOM 1242 N GLU A 77 -0.206 12.782 -11.936 1.00 1.00 N ATOM 1243 CA GLU A 77 -0.493 14.224 -11.817 1.00 1.00 C ATOM 1244 C GLU A 77 0.558 14.856 -10.898 1.00 1.00 C ATOM 1245 O GLU A 77 1.223 15.833 -11.245 1.00 1.00 O ATOM 1246 CB GLU A 77 -1.915 14.419 -11.238 1.00 1.00 C ATOM 1247 CG GLU A 77 -2.319 15.912 -11.218 1.00 1.00 C ATOM 1248 CD GLU A 77 -3.747 16.091 -10.682 1.00 1.00 C ATOM 1249 OE1 GLU A 77 -4.274 15.159 -10.090 1.00 1.00 O ATOM 1250 OE2 GLU A 77 -4.288 17.169 -10.862 1.00 1.00 O ATOM 0 H GLU A 77 -0.901 12.177 -11.500 1.00 1.00 H new ATOM 0 HA GLU A 77 -0.451 14.705 -12.794 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -2.632 13.855 -11.834 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -1.955 14.016 -10.226 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -1.621 16.473 -10.596 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -2.251 16.324 -12.225 1.00 1.00 H new ATOM 1257 N LEU A 78 0.708 14.265 -9.717 1.00 1.00 N ATOM 1258 CA LEU A 78 1.683 14.736 -8.726 1.00 1.00 C ATOM 1259 C LEU A 78 3.107 14.656 -9.313 1.00 1.00 C ATOM 1260 O LEU A 78 3.922 15.560 -9.124 1.00 1.00 O ATOM 1261 CB LEU A 78 1.572 13.837 -7.464 1.00 1.00 C ATOM 1262 CG LEU A 78 0.206 14.062 -6.697 1.00 1.00 C ATOM 1263 CD1 LEU A 78 -0.123 12.829 -5.816 1.00 1.00 C ATOM 1264 CD2 LEU A 78 0.282 15.319 -5.777 1.00 1.00 C ATOM 0 H LEU A 78 0.166 13.455 -9.417 1.00 1.00 H new ATOM 0 HA LEU A 78 1.478 15.773 -8.461 1.00 1.00 H new ATOM 0 HB2 LEU A 78 1.656 12.790 -7.756 1.00 1.00 H new ATOM 0 HB3 LEU A 78 2.404 14.049 -6.793 1.00 1.00 H new ATOM 0 HG LEU A 78 -0.572 14.208 -7.446 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -1.065 12.996 -5.294 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -0.210 11.944 -6.446 1.00 1.00 H new ATOM 0 HD13 LEU A 78 0.674 12.679 -5.088 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -0.669 15.451 -5.262 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.077 15.185 -5.043 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.492 16.201 -6.382 1.00 1.00 H new ATOM 1276 N ALA A 79 3.393 13.575 -10.033 1.00 1.00 N ATOM 1277 CA ALA A 79 4.715 13.372 -10.648 1.00 1.00 C ATOM 1278 C ALA A 79 4.958 14.431 -11.708 1.00 1.00 C ATOM 1279 O ALA A 79 6.075 14.908 -11.910 1.00 1.00 O ATOM 1280 CB ALA A 79 4.789 11.969 -11.259 1.00 1.00 C ATOM 0 H ALA A 79 2.730 12.820 -10.209 1.00 1.00 H new ATOM 0 HA ALA A 79 5.489 13.462 -9.886 1.00 1.00 H new ATOM 0 HB1 ALA A 79 5.769 11.821 -11.714 1.00 1.00 H new ATOM 0 HB2 ALA A 79 4.635 11.224 -10.479 1.00 1.00 H new ATOM 0 HB3 ALA A 79 4.016 11.862 -12.020 1.00 1.00 H new ATOM 1286 N ARG A 80 3.882 14.817 -12.387 1.00 1.00 N ATOM 1287 CA ARG A 80 3.954 15.835 -13.427 1.00 1.00 C ATOM 1288 C ARG A 80 4.132 17.208 -12.784 1.00 1.00 C ATOM 1289 O ARG A 80 4.957 18.014 -13.214 1.00 1.00 O ATOM 1290 CB ARG A 80 2.671 15.767 -14.272 1.00 1.00 C ATOM 1291 CG ARG A 80 2.736 16.755 -15.453 1.00 1.00 C ATOM 1292 CD ARG A 80 1.477 16.626 -16.324 1.00 1.00 C ATOM 1293 NE ARG A 80 1.559 17.586 -17.429 1.00 1.00 N ATOM 1294 CZ ARG A 80 0.610 17.693 -18.363 1.00 1.00 C ATOM 1295 NH1 ARG A 80 -0.456 16.939 -18.321 1.00 1.00 N ATOM 1296 NH2 ARG A 80 0.751 18.564 -19.328 1.00 1.00 N ATOM 0 H ARG A 80 2.947 14.438 -12.234 1.00 1.00 H new ATOM 0 HA ARG A 80 4.809 15.660 -14.080 1.00 1.00 H new ATOM 0 HB2 ARG A 80 2.532 14.753 -14.648 1.00 1.00 H new ATOM 0 HB3 ARG A 80 1.807 15.997 -13.648 1.00 1.00 H new ATOM 0 HG2 ARG A 80 2.825 17.775 -15.079 1.00 1.00 H new ATOM 0 HG3 ARG A 80 3.624 16.557 -16.053 1.00 1.00 H new ATOM 0 HD2 ARG A 80 1.391 15.611 -16.713 1.00 1.00 H new ATOM 0 HD3 ARG A 80 0.585 16.815 -15.727 1.00 1.00 H new ATOM 0 HE ARG A 80 2.374 18.197 -17.487 1.00 1.00 H new ATOM 0 HH11 ARG A 80 -0.571 16.259 -17.569 1.00 1.00 H new ATOM 0 HH12 ARG A 80 -1.174 17.030 -19.040 1.00 1.00 H new ATOM 0 HH21 ARG A 80 1.581 19.156 -19.364 1.00 1.00 H new ATOM 0 HH22 ARG A 80 0.031 18.652 -20.045 1.00 1.00 H new ATOM 1310 N GLN A 81 3.353 17.470 -11.740 1.00 1.00 N ATOM 1311 CA GLN A 81 3.403 18.741 -11.008 1.00 1.00 C ATOM 1312 C GLN A 81 4.680 18.800 -10.162 1.00 1.00 C ATOM 1313 O GLN A 81 5.035 19.856 -9.640 1.00 1.00 O ATOM 1314 CB GLN A 81 2.123 18.861 -10.116 1.00 1.00 C ATOM 1315 CG GLN A 81 0.916 19.408 -10.931 1.00 1.00 C ATOM 1316 CD GLN A 81 0.660 18.566 -12.183 1.00 1.00 C ATOM 1317 OE1 GLN A 81 -0.182 17.674 -12.172 1.00 1.00 O ATOM 1318 NE2 GLN A 81 1.341 18.808 -13.267 1.00 1.00 N ATOM 0 H GLN A 81 2.667 16.810 -11.373 1.00 1.00 H new ATOM 0 HA GLN A 81 3.424 19.580 -11.704 1.00 1.00 H new ATOM 0 HB2 GLN A 81 1.873 17.884 -9.702 1.00 1.00 H new ATOM 0 HB3 GLN A 81 2.325 19.522 -9.273 1.00 1.00 H new ATOM 0 HG2 GLN A 81 0.024 19.412 -10.305 1.00 1.00 H new ATOM 0 HG3 GLN A 81 1.108 20.442 -11.219 1.00 1.00 H new ATOM 0 HE21 GLN A 81 2.041 19.550 -13.275 1.00 1.00 H new ATOM 0 HE22 GLN A 81 1.174 18.255 -14.108 1.00 1.00 H new ATOM 1327 N CYS A 82 5.376 17.676 -10.045 1.00 1.00 N ATOM 1328 CA CYS A 82 6.620 17.621 -9.264 1.00 1.00 C ATOM 1329 C CYS A 82 7.648 18.604 -9.810 1.00 1.00 C ATOM 1330 O CYS A 82 8.464 19.146 -9.064 1.00 1.00 O ATOM 1331 CB CYS A 82 7.198 16.195 -9.269 1.00 1.00 C ATOM 1332 SG CYS A 82 8.536 16.064 -8.051 1.00 1.00 S ATOM 0 H CYS A 82 5.108 16.791 -10.476 1.00 1.00 H new ATOM 0 HA CYS A 82 6.385 17.902 -8.237 1.00 1.00 H new ATOM 0 HB2 CYS A 82 6.413 15.475 -9.038 1.00 1.00 H new ATOM 0 HB3 CYS A 82 7.574 15.949 -10.262 1.00 1.00 H new ATOM 0 HG CYS A 82 9.094 17.228 -7.892 1.00 1.00 H new