USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 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 21 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 48 TYR OH : rot -175:sc= -0.301 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 99:sc= 0.142 USER MOD Single : A 23 HIS : +bothHN:sc= -4.47 K(o=-4.5,f=-7.2!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 86:sc= 1.75 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 16:sc= 1.12 USER MOD Single : A 44 TYR OH : rot 110:sc= -0.441 USER MOD Single : A 45 TYR OH : rot 22:sc= 0.0758 USER MOD Single : A 47 HIS : no HE2:sc= -3.11 K(o=-3.1,f=-5!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= -0.0851 (180deg=-0.631) USER MOD Single : A 54 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.87) USER MOD Single : A 62 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.013) 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= -0.226 K(o=-0.23,f=-3.7!) USER MOD Single : A 71 ASN : amide:sc= 0.376 K(o=0.38,f=-0.95) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 81 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.5) USER MOD Single : A 82 CYS SG : rot -13:sc= 0.861 USER MOD ----------------------------------------------------------------- ATOM 113 N ALA A 9 -11.871 -12.651 2.950 1.00 1.00 N ATOM 114 CA ALA A 9 -11.524 -11.900 4.164 1.00 1.00 C ATOM 115 C ALA A 9 -12.437 -10.680 4.328 1.00 1.00 C ATOM 116 O ALA A 9 -12.876 -10.084 3.344 1.00 1.00 O ATOM 117 CB ALA A 9 -10.053 -11.449 4.080 1.00 1.00 C ATOM 0 HA ALA A 9 -11.661 -12.547 5.031 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -9.792 -10.891 4.979 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -9.408 -12.324 3.995 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -9.917 -10.812 3.206 1.00 1.00 H new ATOM 123 N ASN A 10 -12.721 -10.310 5.573 1.00 1.00 N ATOM 124 CA ASN A 10 -13.585 -9.160 5.870 1.00 1.00 C ATOM 125 C ASN A 10 -12.935 -7.870 5.365 1.00 1.00 C ATOM 126 O ASN A 10 -13.612 -6.990 4.831 1.00 1.00 O ATOM 127 CB ASN A 10 -13.835 -9.079 7.392 1.00 1.00 C ATOM 128 CG ASN A 10 -14.765 -7.910 7.735 1.00 1.00 C ATOM 129 OD1 ASN A 10 -14.343 -6.941 8.365 1.00 1.00 O ATOM 130 ND2 ASN A 10 -16.012 -7.949 7.351 1.00 1.00 N ATOM 0 H ASN A 10 -12.366 -10.789 6.400 1.00 1.00 H new ATOM 0 HA ASN A 10 -14.541 -9.286 5.361 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -14.275 -10.013 7.742 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -12.886 -8.958 7.914 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -16.638 -7.175 7.573 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -16.360 -8.753 6.829 1.00 1.00 H new ATOM 137 N THR A 11 -11.622 -7.758 5.532 1.00 1.00 N ATOM 138 CA THR A 11 -10.889 -6.569 5.088 1.00 1.00 C ATOM 139 C THR A 11 -10.935 -6.456 3.565 1.00 1.00 C ATOM 140 O THR A 11 -11.093 -7.448 2.854 1.00 1.00 O ATOM 141 CB THR A 11 -9.421 -6.656 5.557 1.00 1.00 C ATOM 142 OG1 THR A 11 -8.818 -7.807 4.983 1.00 1.00 O ATOM 143 CG2 THR A 11 -9.360 -6.757 7.091 1.00 1.00 C ATOM 0 H THR A 11 -11.041 -8.472 5.970 1.00 1.00 H new ATOM 0 HA THR A 11 -11.357 -5.686 5.522 1.00 1.00 H new ATOM 0 HB THR A 11 -8.888 -5.759 5.241 1.00 1.00 H new ATOM 0 HG1 THR A 11 -8.293 -7.544 4.198 1.00 1.00 H new ATOM 0 HG21 THR A 11 -8.320 -6.818 7.411 1.00 1.00 H new ATOM 0 HG22 THR A 11 -9.824 -5.875 7.532 1.00 1.00 H new ATOM 0 HG23 THR A 11 -9.893 -7.650 7.418 1.00 1.00 H new ATOM 151 N LEU A 12 -10.798 -5.232 3.066 1.00 1.00 N ATOM 152 CA LEU A 12 -10.832 -4.966 1.621 1.00 1.00 C ATOM 153 C LEU A 12 -9.458 -5.221 0.999 1.00 1.00 C ATOM 154 O LEU A 12 -9.304 -5.213 -0.223 1.00 1.00 O ATOM 155 CB LEU A 12 -11.261 -3.494 1.379 1.00 1.00 C ATOM 156 CG LEU A 12 -12.559 -3.144 2.171 1.00 1.00 C ATOM 157 CD1 LEU A 12 -12.940 -1.665 1.909 1.00 1.00 C ATOM 158 CD2 LEU A 12 -13.743 -4.070 1.762 1.00 1.00 C ATOM 0 H LEU A 12 -10.661 -4.400 3.640 1.00 1.00 H new ATOM 0 HA LEU A 12 -11.552 -5.636 1.151 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -10.456 -2.824 1.681 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -11.427 -3.332 0.314 1.00 1.00 H new ATOM 0 HG LEU A 12 -12.362 -3.297 3.232 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -13.847 -1.419 2.462 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -12.128 -1.016 2.237 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -13.114 -1.517 0.843 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -14.631 -3.799 2.333 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -13.946 -3.952 0.698 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -13.482 -5.108 1.969 1.00 1.00 H new ATOM 170 N PHE A 13 -8.452 -5.444 1.838 1.00 1.00 N ATOM 171 CA PHE A 13 -7.065 -5.702 1.387 1.00 1.00 C ATOM 172 C PHE A 13 -6.739 -7.204 1.459 1.00 1.00 C ATOM 173 O PHE A 13 -6.984 -7.864 2.468 1.00 1.00 O ATOM 174 CB PHE A 13 -6.102 -4.907 2.288 1.00 1.00 C ATOM 175 CG PHE A 13 -6.433 -3.411 2.168 1.00 1.00 C ATOM 176 CD1 PHE A 13 -7.458 -2.851 2.954 1.00 1.00 C ATOM 177 CD2 PHE A 13 -5.737 -2.594 1.252 1.00 1.00 C ATOM 178 CE1 PHE A 13 -7.777 -1.492 2.831 1.00 1.00 C ATOM 179 CE2 PHE A 13 -6.063 -1.235 1.133 1.00 1.00 C ATOM 180 CZ PHE A 13 -7.081 -0.685 1.923 1.00 1.00 C ATOM 0 H PHE A 13 -8.562 -5.454 2.852 1.00 1.00 H new ATOM 0 HA PHE A 13 -6.955 -5.386 0.350 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.198 -5.233 3.324 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -5.069 -5.090 1.991 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -8.000 -3.470 3.653 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -4.952 -3.016 0.642 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -8.562 -1.066 3.438 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -5.529 -0.612 0.431 1.00 1.00 H new ATOM 0 HZ PHE A 13 -7.329 0.362 1.831 1.00 1.00 H new ATOM 190 N VAL A 14 -6.174 -7.727 0.375 1.00 1.00 N ATOM 191 CA VAL A 14 -5.808 -9.170 0.281 1.00 1.00 C ATOM 192 C VAL A 14 -4.321 -9.318 -0.063 1.00 1.00 C ATOM 193 O VAL A 14 -3.781 -8.560 -0.868 1.00 1.00 O ATOM 194 CB VAL A 14 -6.678 -9.844 -0.815 1.00 1.00 C ATOM 195 CG1 VAL A 14 -6.401 -11.370 -0.881 1.00 1.00 C ATOM 196 CG2 VAL A 14 -8.176 -9.606 -0.506 1.00 1.00 C ATOM 0 H VAL A 14 -5.952 -7.187 -0.461 1.00 1.00 H new ATOM 0 HA VAL A 14 -5.990 -9.654 1.241 1.00 1.00 H new ATOM 0 HB VAL A 14 -6.422 -9.403 -1.778 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -7.022 -11.819 -1.656 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -5.350 -11.539 -1.115 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -6.636 -11.824 0.081 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -8.786 -10.079 -1.276 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -8.420 -10.036 0.466 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -8.379 -8.535 -0.490 1.00 1.00 H new ATOM 206 N ASP A 15 -3.666 -10.304 0.544 1.00 1.00 N ATOM 207 CA ASP A 15 -2.243 -10.554 0.305 1.00 1.00 C ATOM 208 C ASP A 15 -1.970 -10.885 -1.174 1.00 1.00 C ATOM 209 O ASP A 15 -2.729 -11.596 -1.837 1.00 1.00 O ATOM 210 CB ASP A 15 -1.767 -11.721 1.199 1.00 1.00 C ATOM 211 CG ASP A 15 -2.574 -12.989 0.906 1.00 1.00 C ATOM 212 OD1 ASP A 15 -3.752 -12.866 0.614 1.00 1.00 O ATOM 213 OD2 ASP A 15 -2.000 -14.062 0.982 1.00 1.00 O ATOM 0 H ASP A 15 -4.098 -10.947 1.208 1.00 1.00 H new ATOM 0 HA ASP A 15 -1.691 -9.647 0.553 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -0.707 -11.910 1.026 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -1.875 -11.449 2.249 1.00 1.00 H new ATOM 218 N GLY A 16 -0.858 -10.377 -1.693 1.00 1.00 N ATOM 219 CA GLY A 16 -0.448 -10.607 -3.088 1.00 1.00 C ATOM 220 C GLY A 16 -1.026 -9.538 -4.010 1.00 1.00 C ATOM 221 O GLY A 16 -0.701 -9.503 -5.196 1.00 1.00 O ATOM 0 H GLY A 16 -0.210 -9.793 -1.165 1.00 1.00 H new ATOM 0 HA2 GLY A 16 0.640 -10.602 -3.157 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -0.784 -11.592 -3.412 1.00 1.00 H new ATOM 225 N GLU A 17 -1.882 -8.680 -3.463 1.00 1.00 N ATOM 226 CA GLU A 17 -2.526 -7.598 -4.233 1.00 1.00 C ATOM 227 C GLU A 17 -1.666 -6.330 -4.234 1.00 1.00 C ATOM 228 O GLU A 17 -0.984 -6.015 -3.259 1.00 1.00 O ATOM 229 CB GLU A 17 -3.916 -7.292 -3.620 1.00 1.00 C ATOM 230 CG GLU A 17 -4.690 -6.249 -4.469 1.00 1.00 C ATOM 231 CD GLU A 17 -6.113 -6.039 -3.935 1.00 1.00 C ATOM 232 OE1 GLU A 17 -6.386 -6.451 -2.816 1.00 1.00 O ATOM 233 OE2 GLU A 17 -6.910 -5.461 -4.656 1.00 1.00 O ATOM 0 H GLU A 17 -2.154 -8.707 -2.480 1.00 1.00 H new ATOM 0 HA GLU A 17 -2.639 -7.927 -5.266 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -4.497 -8.212 -3.553 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -3.793 -6.918 -2.604 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -4.153 -5.300 -4.461 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -4.734 -6.582 -5.506 1.00 1.00 H new ATOM 240 N ARG A 18 -1.722 -5.590 -5.336 1.00 1.00 N ATOM 241 CA ARG A 18 -0.968 -4.343 -5.479 1.00 1.00 C ATOM 242 C ARG A 18 -1.571 -3.297 -4.544 1.00 1.00 C ATOM 243 O ARG A 18 -2.772 -3.287 -4.271 1.00 1.00 O ATOM 244 CB ARG A 18 -1.023 -3.839 -6.963 1.00 1.00 C ATOM 245 CG ARG A 18 0.050 -4.529 -7.859 1.00 1.00 C ATOM 246 CD ARG A 18 -0.257 -6.024 -8.050 1.00 1.00 C ATOM 247 NE ARG A 18 0.731 -6.630 -8.952 1.00 1.00 N ATOM 248 CZ ARG A 18 0.767 -7.950 -9.179 1.00 1.00 C ATOM 249 NH1 ARG A 18 -0.096 -8.748 -8.601 1.00 1.00 N ATOM 250 NH2 ARG A 18 1.671 -8.443 -9.981 1.00 1.00 N ATOM 0 H ARG A 18 -2.286 -5.832 -6.151 1.00 1.00 H new ATOM 0 HA ARG A 18 0.076 -4.514 -5.218 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -2.014 -4.031 -7.374 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -0.872 -2.760 -6.984 1.00 1.00 H new ATOM 0 HG2 ARG A 18 0.087 -4.036 -8.831 1.00 1.00 H new ATOM 0 HG3 ARG A 18 1.034 -4.413 -7.406 1.00 1.00 H new ATOM 0 HD2 ARG A 18 -0.241 -6.533 -7.086 1.00 1.00 H new ATOM 0 HD3 ARG A 18 -1.259 -6.148 -8.460 1.00 1.00 H new ATOM 0 HE ARG A 18 1.409 -6.029 -9.419 1.00 1.00 H new ATOM 0 HH11 ARG A 18 -0.803 -8.366 -7.973 1.00 1.00 H new ATOM 0 HH12 ARG A 18 -0.061 -9.752 -8.779 1.00 1.00 H new ATOM 0 HH21 ARG A 18 2.345 -7.824 -10.431 1.00 1.00 H new ATOM 0 HH22 ARG A 18 1.703 -9.447 -10.157 1.00 1.00 H new ATOM 264 N VAL A 19 -0.733 -2.396 -4.042 1.00 1.00 N ATOM 265 CA VAL A 19 -1.192 -1.334 -3.134 1.00 1.00 C ATOM 266 C VAL A 19 -0.229 -0.163 -3.185 1.00 1.00 C ATOM 267 O VAL A 19 0.971 -0.320 -3.406 1.00 1.00 O ATOM 268 CB VAL A 19 -1.350 -1.908 -1.687 1.00 1.00 C ATOM 269 CG1 VAL A 19 0.017 -2.072 -0.971 1.00 1.00 C ATOM 270 CG2 VAL A 19 -2.286 -1.039 -0.816 1.00 1.00 C ATOM 0 H VAL A 19 0.267 -2.374 -4.244 1.00 1.00 H new ATOM 0 HA VAL A 19 -2.169 -0.968 -3.450 1.00 1.00 H new ATOM 0 HB VAL A 19 -1.800 -2.893 -1.807 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -0.142 -2.473 0.030 1.00 1.00 H new ATOM 0 HG12 VAL A 19 0.646 -2.756 -1.540 1.00 1.00 H new ATOM 0 HG13 VAL A 19 0.509 -1.102 -0.899 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -2.366 -1.476 0.180 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -1.879 -0.031 -0.739 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -3.274 -0.997 -1.274 1.00 1.00 H new ATOM 280 N LEU A 20 -0.766 1.032 -2.959 1.00 1.00 N ATOM 281 CA LEU A 20 0.030 2.267 -2.975 1.00 1.00 C ATOM 282 C LEU A 20 0.248 2.767 -1.545 1.00 1.00 C ATOM 283 O LEU A 20 -0.669 2.808 -0.726 1.00 1.00 O ATOM 284 CB LEU A 20 -0.717 3.328 -3.812 1.00 1.00 C ATOM 285 CG LEU A 20 -1.043 2.788 -5.241 1.00 1.00 C ATOM 286 CD1 LEU A 20 -1.838 3.857 -6.022 1.00 1.00 C ATOM 287 CD2 LEU A 20 0.254 2.413 -6.025 1.00 1.00 C ATOM 0 H LEU A 20 -1.756 1.177 -2.761 1.00 1.00 H new ATOM 0 HA LEU A 20 1.006 2.075 -3.421 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.641 3.610 -3.307 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.108 4.229 -3.890 1.00 1.00 H new ATOM 0 HG LEU A 20 -1.639 1.882 -5.135 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -2.067 3.483 -7.020 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.766 4.077 -5.495 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.242 4.766 -6.103 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -0.013 2.041 -7.014 1.00 1.00 H new ATOM 0 HD22 LEU A 20 0.885 3.296 -6.127 1.00 1.00 H new ATOM 0 HD23 LEU A 20 0.797 1.640 -5.482 1.00 1.00 H new ATOM 299 N CYS A 21 1.484 3.155 -1.246 1.00 1.00 N ATOM 300 CA CYS A 21 1.864 3.652 0.090 1.00 1.00 C ATOM 301 C CYS A 21 2.447 5.064 -0.014 1.00 1.00 C ATOM 302 O CYS A 21 3.527 5.269 -0.567 1.00 1.00 O ATOM 303 CB CYS A 21 2.911 2.697 0.692 1.00 1.00 C ATOM 304 SG CYS A 21 3.341 3.233 2.367 1.00 1.00 S ATOM 0 H CYS A 21 2.254 3.137 -1.914 1.00 1.00 H new ATOM 0 HA CYS A 21 0.982 3.690 0.730 1.00 1.00 H new ATOM 0 HB2 CYS A 21 2.518 1.681 0.715 1.00 1.00 H new ATOM 0 HB3 CYS A 21 3.803 2.680 0.066 1.00 1.00 H new ATOM 0 HG CYS A 21 4.223 2.421 2.869 1.00 1.00 H new ATOM 310 N PHE A 22 1.730 6.041 0.533 1.00 1.00 N ATOM 311 CA PHE A 22 2.169 7.450 0.521 1.00 1.00 C ATOM 312 C PHE A 22 2.822 7.800 1.861 1.00 1.00 C ATOM 313 O PHE A 22 2.537 7.204 2.899 1.00 1.00 O ATOM 314 CB PHE A 22 0.961 8.376 0.253 1.00 1.00 C ATOM 315 CG PHE A 22 -0.113 8.193 1.339 1.00 1.00 C ATOM 316 CD1 PHE A 22 -0.076 8.973 2.513 1.00 1.00 C ATOM 317 CD2 PHE A 22 -1.147 7.248 1.172 1.00 1.00 C ATOM 318 CE1 PHE A 22 -1.057 8.810 3.500 1.00 1.00 C ATOM 319 CE2 PHE A 22 -2.127 7.093 2.162 1.00 1.00 C ATOM 320 CZ PHE A 22 -2.083 7.873 3.324 1.00 1.00 C ATOM 0 H PHE A 22 0.834 5.890 0.996 1.00 1.00 H new ATOM 0 HA PHE A 22 2.900 7.592 -0.275 1.00 1.00 H new ATOM 0 HB2 PHE A 22 1.290 9.415 0.231 1.00 1.00 H new ATOM 0 HB3 PHE A 22 0.537 8.155 -0.726 1.00 1.00 H new ATOM 0 HD1 PHE A 22 0.712 9.699 2.652 1.00 1.00 H new ATOM 0 HD2 PHE A 22 -1.184 6.642 0.279 1.00 1.00 H new ATOM 0 HE1 PHE A 22 -1.022 9.408 4.399 1.00 1.00 H new ATOM 0 HE2 PHE A 22 -2.918 6.370 2.028 1.00 1.00 H new ATOM 0 HZ PHE A 22 -2.840 7.752 4.085 1.00 1.00 H new ATOM 330 N HIS A 23 3.721 8.778 1.837 1.00 1.00 N ATOM 331 CA HIS A 23 4.423 9.208 3.053 1.00 1.00 C ATOM 332 C HIS A 23 5.096 10.556 2.821 1.00 1.00 C ATOM 333 O HIS A 23 6.042 10.916 3.522 1.00 1.00 O ATOM 334 CB HIS A 23 5.470 8.142 3.455 1.00 1.00 C ATOM 335 CG HIS A 23 6.424 7.902 2.312 1.00 1.00 C ATOM 336 ND1 HIS A 23 7.364 8.844 1.923 1.00 1.00 N ATOM 337 CD2 HIS A 23 6.588 6.835 1.464 1.00 1.00 C ATOM 338 CE1 HIS A 23 8.044 8.330 0.883 1.00 1.00 C ATOM 339 NE2 HIS A 23 7.612 7.108 0.563 1.00 1.00 N ATOM 0 H HIS A 23 3.984 9.290 0.995 1.00 1.00 H new ATOM 0 HA HIS A 23 3.703 9.318 3.864 1.00 1.00 H new ATOM 0 HB2 HIS A 23 6.020 8.474 4.335 1.00 1.00 H new ATOM 0 HB3 HIS A 23 4.970 7.212 3.724 1.00 1.00 H new ATOM 0 HD1 HIS A 23 7.513 9.759 2.348 1.00 1.00 H new ATOM 0 HD2 HIS A 23 6.010 5.923 1.492 1.00 1.00 H new ATOM 0 HE1 HIS A 23 8.843 8.844 0.369 1.00 1.00 H new ATOM 0 HE2 HIS A 23 7.959 6.504 -0.182 1.00 1.00 H new ATOM 348 N GLY A 24 4.607 11.303 1.838 1.00 1.00 N ATOM 349 CA GLY A 24 5.174 12.614 1.509 1.00 1.00 C ATOM 350 C GLY A 24 4.416 13.289 0.342 1.00 1.00 C ATOM 351 O GLY A 24 3.232 13.008 0.156 1.00 1.00 O ATOM 0 H GLY A 24 3.819 11.027 1.252 1.00 1.00 H new ATOM 0 HA2 GLY A 24 5.136 13.258 2.388 1.00 1.00 H new ATOM 0 HA3 GLY A 24 6.225 12.500 1.243 1.00 1.00 H new ATOM 355 N PRO A 25 5.043 14.144 -0.420 1.00 1.00 N ATOM 356 CA PRO A 25 4.338 14.843 -1.559 1.00 1.00 C ATOM 357 C PRO A 25 4.194 13.951 -2.801 1.00 1.00 C ATOM 358 O PRO A 25 3.678 14.383 -3.832 1.00 1.00 O ATOM 359 CB PRO A 25 5.219 16.095 -1.792 1.00 1.00 C ATOM 360 CG PRO A 25 6.617 15.606 -1.508 1.00 1.00 C ATOM 361 CD PRO A 25 6.474 14.585 -0.343 1.00 1.00 C ATOM 0 HA PRO A 25 3.303 15.101 -1.333 1.00 1.00 H new ATOM 0 HB2 PRO A 25 5.124 16.467 -2.812 1.00 1.00 H new ATOM 0 HB3 PRO A 25 4.938 16.912 -1.127 1.00 1.00 H new ATOM 0 HG2 PRO A 25 7.055 15.137 -2.389 1.00 1.00 H new ATOM 0 HG3 PRO A 25 7.272 16.431 -1.228 1.00 1.00 H new ATOM 0 HD2 PRO A 25 7.158 13.744 -0.463 1.00 1.00 H new ATOM 0 HD3 PRO A 25 6.699 15.044 0.620 1.00 1.00 H new ATOM 369 N LEU A 26 4.637 12.702 -2.700 1.00 1.00 N ATOM 370 CA LEU A 26 4.546 11.725 -3.824 1.00 1.00 C ATOM 371 C LEU A 26 4.066 10.353 -3.327 1.00 1.00 C ATOM 372 O LEU A 26 4.269 9.961 -2.179 1.00 1.00 O ATOM 373 CB LEU A 26 5.936 11.581 -4.521 1.00 1.00 C ATOM 374 CG LEU A 26 6.253 12.797 -5.476 1.00 1.00 C ATOM 375 CD1 LEU A 26 7.775 12.868 -5.744 1.00 1.00 C ATOM 376 CD2 LEU A 26 5.517 12.638 -6.847 1.00 1.00 C ATOM 0 H LEU A 26 5.067 12.324 -1.856 1.00 1.00 H new ATOM 0 HA LEU A 26 3.818 12.102 -4.543 1.00 1.00 H new ATOM 0 HB2 LEU A 26 6.715 11.505 -3.762 1.00 1.00 H new ATOM 0 HB3 LEU A 26 5.958 10.655 -5.095 1.00 1.00 H new ATOM 0 HG LEU A 26 5.909 13.708 -4.986 1.00 1.00 H new ATOM 0 HD11 LEU A 26 7.989 13.709 -6.404 1.00 1.00 H new ATOM 0 HD12 LEU A 26 8.305 13.002 -4.801 1.00 1.00 H new ATOM 0 HD13 LEU A 26 8.105 11.943 -6.217 1.00 1.00 H new ATOM 0 HD21 LEU A 26 5.752 13.489 -7.487 1.00 1.00 H new ATOM 0 HD22 LEU A 26 5.845 11.718 -7.331 1.00 1.00 H new ATOM 0 HD23 LEU A 26 4.441 12.596 -6.679 1.00 1.00 H new ATOM 388 N ILE A 27 3.431 9.623 -4.240 1.00 1.00 N ATOM 389 CA ILE A 27 2.892 8.275 -3.961 1.00 1.00 C ATOM 390 C ILE A 27 3.856 7.213 -4.518 1.00 1.00 C ATOM 391 O ILE A 27 4.251 7.256 -5.683 1.00 1.00 O ATOM 392 CB ILE A 27 1.487 8.130 -4.620 1.00 1.00 C ATOM 393 CG1 ILE A 27 0.541 9.248 -4.077 1.00 1.00 C ATOM 394 CG2 ILE A 27 0.883 6.734 -4.297 1.00 1.00 C ATOM 395 CD1 ILE A 27 -0.800 9.252 -4.835 1.00 1.00 C ATOM 0 H ILE A 27 3.270 9.940 -5.196 1.00 1.00 H new ATOM 0 HA ILE A 27 2.793 8.133 -2.885 1.00 1.00 H new ATOM 0 HB ILE A 27 1.589 8.228 -5.701 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.361 9.092 -3.013 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.024 10.220 -4.180 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -0.098 6.645 -4.763 1.00 1.00 H new ATOM 0 HG22 ILE A 27 1.540 5.955 -4.684 1.00 1.00 H new ATOM 0 HG23 ILE A 27 0.783 6.622 -3.217 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -1.440 10.040 -4.438 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -0.618 9.432 -5.895 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -1.292 8.287 -4.710 1.00 1.00 H new ATOM 407 N TYR A 28 4.217 6.253 -3.673 1.00 1.00 N ATOM 408 CA TYR A 28 5.137 5.155 -4.044 1.00 1.00 C ATOM 409 C TYR A 28 4.379 3.824 -4.157 1.00 1.00 C ATOM 410 O TYR A 28 3.354 3.614 -3.511 1.00 1.00 O ATOM 411 CB TYR A 28 6.219 5.058 -2.952 1.00 1.00 C ATOM 412 CG TYR A 28 6.956 6.402 -2.879 1.00 1.00 C ATOM 413 CD1 TYR A 28 6.455 7.442 -2.068 1.00 1.00 C ATOM 414 CD2 TYR A 28 8.126 6.619 -3.636 1.00 1.00 C ATOM 415 CE1 TYR A 28 7.116 8.675 -2.015 1.00 1.00 C ATOM 416 CE2 TYR A 28 8.782 7.856 -3.576 1.00 1.00 C ATOM 417 CZ TYR A 28 8.278 8.880 -2.767 1.00 1.00 C ATOM 418 OH TYR A 28 8.931 10.095 -2.711 1.00 1.00 O ATOM 0 H TYR A 28 3.887 6.204 -2.709 1.00 1.00 H new ATOM 0 HA TYR A 28 5.589 5.360 -5.014 1.00 1.00 H new ATOM 0 HB2 TYR A 28 5.766 4.821 -1.989 1.00 1.00 H new ATOM 0 HB3 TYR A 28 6.918 4.254 -3.182 1.00 1.00 H new ATOM 0 HD1 TYR A 28 5.559 7.286 -1.486 1.00 1.00 H new ATOM 0 HD2 TYR A 28 8.517 5.831 -4.263 1.00 1.00 H new ATOM 0 HE1 TYR A 28 6.729 9.469 -1.393 1.00 1.00 H new ATOM 0 HE2 TYR A 28 9.679 8.019 -4.156 1.00 1.00 H new ATOM 0 HH TYR A 28 9.720 10.069 -3.292 1.00 1.00 H new ATOM 428 N GLU A 29 4.902 2.919 -4.978 1.00 1.00 N ATOM 429 CA GLU A 29 4.276 1.600 -5.197 1.00 1.00 C ATOM 430 C GLU A 29 4.705 0.603 -4.116 1.00 1.00 C ATOM 431 O GLU A 29 5.847 0.619 -3.657 1.00 1.00 O ATOM 432 CB GLU A 29 4.682 1.075 -6.598 1.00 1.00 C ATOM 433 CG GLU A 29 3.942 -0.246 -6.941 1.00 1.00 C ATOM 434 CD GLU A 29 4.280 -0.724 -8.360 1.00 1.00 C ATOM 435 OE1 GLU A 29 5.242 -0.234 -8.931 1.00 1.00 O ATOM 436 OE2 GLU A 29 3.569 -1.588 -8.850 1.00 1.00 O ATOM 0 H GLU A 29 5.760 3.066 -5.509 1.00 1.00 H new ATOM 0 HA GLU A 29 3.193 1.708 -5.141 1.00 1.00 H new ATOM 0 HB2 GLU A 29 4.453 1.829 -7.352 1.00 1.00 H new ATOM 0 HB3 GLU A 29 5.759 0.910 -6.629 1.00 1.00 H new ATOM 0 HG2 GLU A 29 4.217 -1.017 -6.221 1.00 1.00 H new ATOM 0 HG3 GLU A 29 2.866 -0.096 -6.852 1.00 1.00 H new ATOM 443 N ALA A 30 3.791 -0.280 -3.731 1.00 1.00 N ATOM 444 CA ALA A 30 4.043 -1.305 -2.706 1.00 1.00 C ATOM 445 C ALA A 30 3.116 -2.506 -2.934 1.00 1.00 C ATOM 446 O ALA A 30 2.268 -2.508 -3.827 1.00 1.00 O ATOM 447 CB ALA A 30 3.816 -0.712 -1.305 1.00 1.00 C ATOM 0 H ALA A 30 2.848 -0.311 -4.118 1.00 1.00 H new ATOM 0 HA ALA A 30 5.077 -1.640 -2.779 1.00 1.00 H new ATOM 0 HB1 ALA A 30 4.004 -1.477 -0.551 1.00 1.00 H new ATOM 0 HB2 ALA A 30 4.496 0.126 -1.150 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.787 -0.364 -1.220 1.00 1.00 H new ATOM 453 N LYS A 31 3.269 -3.546 -2.122 1.00 1.00 N ATOM 454 CA LYS A 31 2.454 -4.773 -2.249 1.00 1.00 C ATOM 455 C LYS A 31 2.246 -5.418 -0.876 1.00 1.00 C ATOM 456 O LYS A 31 3.124 -5.435 -0.013 1.00 1.00 O ATOM 457 CB LYS A 31 3.156 -5.743 -3.228 1.00 1.00 C ATOM 458 CG LYS A 31 2.350 -7.063 -3.401 1.00 1.00 C ATOM 459 CD LYS A 31 2.947 -7.965 -4.525 1.00 1.00 C ATOM 460 CE LYS A 31 4.318 -8.556 -4.129 1.00 1.00 C ATOM 461 NZ LYS A 31 4.710 -9.575 -5.142 1.00 1.00 N ATOM 0 H LYS A 31 3.949 -3.574 -1.363 1.00 1.00 H new ATOM 0 HA LYS A 31 1.469 -4.525 -2.645 1.00 1.00 H new ATOM 0 HB2 LYS A 31 3.276 -5.259 -4.197 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.156 -5.972 -2.860 1.00 1.00 H new ATOM 0 HG2 LYS A 31 2.345 -7.612 -2.459 1.00 1.00 H new ATOM 0 HG3 LYS A 31 1.313 -6.827 -3.638 1.00 1.00 H new ATOM 0 HD2 LYS A 31 2.253 -8.776 -4.745 1.00 1.00 H new ATOM 0 HD3 LYS A 31 3.055 -7.381 -5.439 1.00 1.00 H new ATOM 0 HE2 LYS A 31 5.068 -7.767 -4.077 1.00 1.00 H new ATOM 0 HE3 LYS A 31 4.262 -9.009 -3.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 5.633 -9.981 -4.887 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 3.995 -10.330 -5.170 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 4.776 -9.126 -6.078 1.00 1.00 H new ATOM 475 N VAL A 32 1.047 -5.957 -0.676 1.00 1.00 N ATOM 476 CA VAL A 32 0.693 -6.615 0.592 1.00 1.00 C ATOM 477 C VAL A 32 1.141 -8.076 0.565 1.00 1.00 C ATOM 478 O VAL A 32 0.709 -8.840 -0.299 1.00 1.00 O ATOM 479 CB VAL A 32 -0.848 -6.566 0.827 1.00 1.00 C ATOM 480 CG1 VAL A 32 -1.194 -7.051 2.260 1.00 1.00 C ATOM 481 CG2 VAL A 32 -1.362 -5.125 0.636 1.00 1.00 C ATOM 0 H VAL A 32 0.300 -5.955 -1.371 1.00 1.00 H new ATOM 0 HA VAL A 32 1.197 -6.085 1.400 1.00 1.00 H new ATOM 0 HB VAL A 32 -1.329 -7.224 0.104 1.00 1.00 H new ATOM 0 HG11 VAL A 32 -2.273 -7.010 2.407 1.00 1.00 H new ATOM 0 HG12 VAL A 32 -0.848 -8.076 2.390 1.00 1.00 H new ATOM 0 HG13 VAL A 32 -0.704 -6.407 2.990 1.00 1.00 H new ATOM 0 HG21 VAL A 32 -2.439 -5.098 0.802 1.00 1.00 H new ATOM 0 HG22 VAL A 32 -0.868 -4.465 1.349 1.00 1.00 H new ATOM 0 HG23 VAL A 32 -1.142 -4.792 -0.378 1.00 1.00 H new ATOM 491 N LEU A 33 1.975 -8.484 1.517 1.00 1.00 N ATOM 492 CA LEU A 33 2.448 -9.880 1.594 1.00 1.00 C ATOM 493 C LEU A 33 1.603 -10.656 2.579 1.00 1.00 C ATOM 494 O LEU A 33 1.431 -11.865 2.419 1.00 1.00 O ATOM 495 CB LEU A 33 3.931 -9.934 2.053 1.00 1.00 C ATOM 496 CG LEU A 33 4.496 -11.398 2.154 1.00 1.00 C ATOM 497 CD1 LEU A 33 4.356 -12.176 0.810 1.00 1.00 C ATOM 498 CD2 LEU A 33 5.988 -11.326 2.565 1.00 1.00 C ATOM 0 H LEU A 33 2.342 -7.876 2.249 1.00 1.00 H new ATOM 0 HA LEU A 33 2.364 -10.322 0.601 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.542 -9.363 1.354 1.00 1.00 H new ATOM 0 HB3 LEU A 33 4.022 -9.449 3.025 1.00 1.00 H new ATOM 0 HG LEU A 33 3.915 -11.939 2.901 1.00 1.00 H new ATOM 0 HD11 LEU A 33 4.759 -13.182 0.928 1.00 1.00 H new ATOM 0 HD12 LEU A 33 3.304 -12.237 0.533 1.00 1.00 H new ATOM 0 HD13 LEU A 33 4.907 -11.653 0.028 1.00 1.00 H new ATOM 0 HD21 LEU A 33 6.394 -12.335 2.639 1.00 1.00 H new ATOM 0 HD22 LEU A 33 6.545 -10.765 1.815 1.00 1.00 H new ATOM 0 HD23 LEU A 33 6.076 -10.828 3.530 1.00 1.00 H new ATOM 510 N LYS A 34 1.103 -9.990 3.615 1.00 1.00 N ATOM 511 CA LYS A 34 0.285 -10.663 4.641 1.00 1.00 C ATOM 512 C LYS A 34 -0.673 -9.657 5.290 1.00 1.00 C ATOM 513 O LYS A 34 -0.349 -8.482 5.463 1.00 1.00 O ATOM 514 CB LYS A 34 1.221 -11.310 5.692 1.00 1.00 C ATOM 515 CG LYS A 34 0.422 -12.142 6.735 1.00 1.00 C ATOM 516 CD LYS A 34 1.351 -12.648 7.872 1.00 1.00 C ATOM 517 CE LYS A 34 2.498 -13.543 7.330 1.00 1.00 C ATOM 518 NZ LYS A 34 3.050 -14.356 8.447 1.00 1.00 N ATOM 0 H LYS A 34 1.243 -8.992 3.774 1.00 1.00 H new ATOM 0 HA LYS A 34 -0.318 -11.447 4.183 1.00 1.00 H new ATOM 0 HB2 LYS A 34 1.944 -11.953 5.190 1.00 1.00 H new ATOM 0 HB3 LYS A 34 1.788 -10.532 6.203 1.00 1.00 H new ATOM 0 HG2 LYS A 34 -0.377 -11.532 7.157 1.00 1.00 H new ATOM 0 HG3 LYS A 34 -0.052 -12.991 6.242 1.00 1.00 H new ATOM 0 HD2 LYS A 34 1.776 -11.794 8.400 1.00 1.00 H new ATOM 0 HD3 LYS A 34 0.763 -13.211 8.597 1.00 1.00 H new ATOM 0 HE2 LYS A 34 2.125 -14.194 6.539 1.00 1.00 H new ATOM 0 HE3 LYS A 34 3.282 -12.925 6.891 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 3.819 -14.958 8.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 3.419 -13.725 9.187 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 2.298 -14.954 8.846 1.00 1.00 H new ATOM 532 N THR A 35 -1.858 -10.139 5.650 1.00 1.00 N ATOM 533 CA THR A 35 -2.890 -9.297 6.283 1.00 1.00 C ATOM 534 C THR A 35 -3.499 -10.003 7.492 1.00 1.00 C ATOM 535 O THR A 35 -3.649 -11.225 7.507 1.00 1.00 O ATOM 536 CB THR A 35 -3.998 -8.991 5.252 1.00 1.00 C ATOM 537 OG1 THR A 35 -5.062 -8.322 5.908 1.00 1.00 O ATOM 538 CG2 THR A 35 -4.535 -10.289 4.613 1.00 1.00 C ATOM 0 H THR A 35 -2.137 -11.111 5.517 1.00 1.00 H new ATOM 0 HA THR A 35 -2.428 -8.370 6.622 1.00 1.00 H new ATOM 0 HB THR A 35 -3.579 -8.366 4.463 1.00 1.00 H new ATOM 0 HG1 THR A 35 -4.875 -7.360 5.937 1.00 1.00 H new ATOM 0 HG21 THR A 35 -5.314 -10.044 3.891 1.00 1.00 H new ATOM 0 HG22 THR A 35 -3.722 -10.809 4.107 1.00 1.00 H new ATOM 0 HG23 THR A 35 -4.949 -10.932 5.389 1.00 1.00 H new ATOM 546 N LYS A 36 -3.881 -9.221 8.496 1.00 1.00 N ATOM 547 CA LYS A 36 -4.511 -9.804 9.721 1.00 1.00 C ATOM 548 C LYS A 36 -5.998 -9.379 9.807 1.00 1.00 C ATOM 549 O LYS A 36 -6.277 -8.362 10.442 1.00 1.00 O ATOM 550 CB LYS A 36 -3.725 -9.339 10.974 1.00 1.00 C ATOM 551 CG LYS A 36 -4.254 -10.041 12.255 1.00 1.00 C ATOM 552 CD LYS A 36 -3.400 -9.651 13.482 1.00 1.00 C ATOM 553 CE LYS A 36 -3.907 -10.389 14.738 1.00 1.00 C ATOM 554 NZ LYS A 36 -3.061 -10.014 15.900 1.00 1.00 N ATOM 0 H LYS A 36 -3.778 -8.206 8.508 1.00 1.00 H new ATOM 0 HA LYS A 36 -4.475 -10.892 9.671 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -2.665 -9.559 10.845 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -3.815 -8.258 11.084 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -5.294 -9.762 12.426 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -4.232 -11.122 12.119 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -2.355 -9.901 13.301 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -3.447 -8.574 13.640 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -4.948 -10.129 14.932 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -3.872 -11.467 14.580 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -3.399 -10.509 16.750 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -2.074 -10.283 15.712 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -3.117 -8.987 16.053 1.00 1.00 H new ATOM 568 N PRO A 37 -6.922 -10.093 9.227 1.00 1.00 N ATOM 569 CA PRO A 37 -8.382 -9.702 9.274 1.00 1.00 C ATOM 570 C PRO A 37 -9.079 -10.195 10.544 1.00 1.00 C ATOM 571 O PRO A 37 -10.306 -10.168 10.639 1.00 1.00 O ATOM 572 CB PRO A 37 -8.936 -10.383 8.006 1.00 1.00 C ATOM 573 CG PRO A 37 -8.217 -11.701 7.999 1.00 1.00 C ATOM 574 CD PRO A 37 -6.767 -11.366 8.454 1.00 1.00 C ATOM 0 HA PRO A 37 -8.541 -8.624 9.299 1.00 1.00 H new ATOM 0 HB2 PRO A 37 -10.017 -10.512 8.055 1.00 1.00 H new ATOM 0 HB3 PRO A 37 -8.725 -9.801 7.109 1.00 1.00 H new ATOM 0 HG2 PRO A 37 -8.689 -12.413 8.676 1.00 1.00 H new ATOM 0 HG3 PRO A 37 -8.226 -12.151 7.006 1.00 1.00 H new ATOM 0 HD2 PRO A 37 -6.347 -12.161 9.071 1.00 1.00 H new ATOM 0 HD3 PRO A 37 -6.099 -11.238 7.602 1.00 1.00 H new ATOM 582 N ASP A 38 -8.293 -10.633 11.524 1.00 1.00 N ATOM 583 CA ASP A 38 -8.824 -11.138 12.797 1.00 1.00 C ATOM 584 C ASP A 38 -9.235 -9.987 13.720 1.00 1.00 C ATOM 585 O ASP A 38 -9.515 -10.195 14.901 1.00 1.00 O ATOM 586 CB ASP A 38 -7.737 -11.993 13.476 1.00 1.00 C ATOM 587 CG ASP A 38 -7.374 -13.203 12.608 1.00 1.00 C ATOM 588 OD1 ASP A 38 -8.238 -13.679 11.889 1.00 1.00 O ATOM 589 OD2 ASP A 38 -6.238 -13.639 12.687 1.00 1.00 O ATOM 0 H ASP A 38 -7.275 -10.650 11.464 1.00 1.00 H new ATOM 0 HA ASP A 38 -9.712 -11.739 12.601 1.00 1.00 H new ATOM 0 HB2 ASP A 38 -6.849 -11.387 13.652 1.00 1.00 H new ATOM 0 HB3 ASP A 38 -8.090 -12.332 14.450 1.00 1.00 H new ATOM 594 N ALA A 39 -9.270 -8.769 13.187 1.00 1.00 N ATOM 595 CA ALA A 39 -9.648 -7.592 13.988 1.00 1.00 C ATOM 596 C ALA A 39 -10.011 -6.405 13.090 1.00 1.00 C ATOM 597 O ALA A 39 -9.586 -6.316 11.938 1.00 1.00 O ATOM 598 CB ALA A 39 -8.484 -7.218 14.925 1.00 1.00 C ATOM 0 H ALA A 39 -9.045 -8.564 12.213 1.00 1.00 H new ATOM 0 HA ALA A 39 -10.529 -7.840 14.580 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -8.761 -6.347 15.519 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -8.267 -8.056 15.588 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -7.599 -6.986 14.332 1.00 1.00 H new ATOM 604 N THR A 40 -10.797 -5.479 13.628 1.00 1.00 N ATOM 605 CA THR A 40 -11.246 -4.273 12.878 1.00 1.00 C ATOM 606 C THR A 40 -11.313 -3.016 13.809 1.00 1.00 C ATOM 607 O THR A 40 -12.162 -2.999 14.700 1.00 1.00 O ATOM 608 CB THR A 40 -12.661 -4.533 12.312 1.00 1.00 C ATOM 609 OG1 THR A 40 -13.562 -4.714 13.394 1.00 1.00 O ATOM 610 CG2 THR A 40 -12.675 -5.797 11.425 1.00 1.00 C ATOM 0 H THR A 40 -11.147 -5.526 14.585 1.00 1.00 H new ATOM 0 HA THR A 40 -10.529 -4.082 12.079 1.00 1.00 H new ATOM 0 HB THR A 40 -12.959 -3.679 11.704 1.00 1.00 H new ATOM 0 HG1 THR A 40 -13.150 -4.386 14.221 1.00 1.00 H new ATOM 0 HG21 THR A 40 -13.681 -5.959 11.038 1.00 1.00 H new ATOM 0 HG22 THR A 40 -11.983 -5.665 10.593 1.00 1.00 H new ATOM 0 HG23 THR A 40 -12.370 -6.660 12.017 1.00 1.00 H new ATOM 618 N PRO A 41 -10.490 -2.017 13.641 1.00 1.00 N ATOM 619 CA PRO A 41 -9.398 -1.880 12.602 1.00 1.00 C ATOM 620 C PRO A 41 -8.244 -2.835 12.902 1.00 1.00 C ATOM 621 O PRO A 41 -8.276 -3.606 13.861 1.00 1.00 O ATOM 622 CB PRO A 41 -8.967 -0.391 12.732 1.00 1.00 C ATOM 623 CG PRO A 41 -9.178 -0.109 14.189 1.00 1.00 C ATOM 624 CD PRO A 41 -10.518 -0.801 14.507 1.00 1.00 C ATOM 0 HA PRO A 41 -9.723 -2.132 11.593 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -7.928 -0.244 12.438 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -9.572 0.261 12.102 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -8.366 -0.511 14.796 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -9.224 0.962 14.387 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -10.596 -1.061 15.563 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -11.368 -0.160 14.273 1.00 1.00 H new ATOM 632 N VAL A 42 -7.211 -2.777 12.068 1.00 1.00 N ATOM 633 CA VAL A 42 -6.042 -3.657 12.252 1.00 1.00 C ATOM 634 C VAL A 42 -4.873 -3.201 11.378 1.00 1.00 C ATOM 635 O VAL A 42 -4.998 -2.250 10.607 1.00 1.00 O ATOM 636 CB VAL A 42 -6.458 -5.124 11.924 1.00 1.00 C ATOM 637 CG1 VAL A 42 -6.839 -5.248 10.417 1.00 1.00 C ATOM 638 CG2 VAL A 42 -5.317 -6.130 12.300 1.00 1.00 C ATOM 0 H VAL A 42 -7.150 -2.145 11.269 1.00 1.00 H new ATOM 0 HA VAL A 42 -5.705 -3.605 13.287 1.00 1.00 H new ATOM 0 HB VAL A 42 -7.331 -5.379 12.525 1.00 1.00 H new ATOM 0 HG11 VAL A 42 -7.128 -6.276 10.198 1.00 1.00 H new ATOM 0 HG12 VAL A 42 -7.673 -4.582 10.197 1.00 1.00 H new ATOM 0 HG13 VAL A 42 -5.983 -4.973 9.801 1.00 1.00 H new ATOM 0 HG21 VAL A 42 -5.634 -7.145 12.061 1.00 1.00 H new ATOM 0 HG22 VAL A 42 -4.417 -5.888 11.734 1.00 1.00 H new ATOM 0 HG23 VAL A 42 -5.105 -6.058 13.367 1.00 1.00 H new ATOM 648 N GLU A 43 -3.723 -3.850 11.525 1.00 1.00 N ATOM 649 CA GLU A 43 -2.504 -3.553 10.756 1.00 1.00 C ATOM 650 C GLU A 43 -2.376 -4.527 9.560 1.00 1.00 C ATOM 651 O GLU A 43 -2.991 -5.591 9.492 1.00 1.00 O ATOM 652 CB GLU A 43 -1.261 -3.677 11.674 1.00 1.00 C ATOM 653 CG GLU A 43 -1.229 -5.063 12.363 1.00 1.00 C ATOM 654 CD GLU A 43 -0.005 -5.178 13.276 1.00 1.00 C ATOM 655 OE1 GLU A 43 0.306 -4.206 13.943 1.00 1.00 O ATOM 656 OE2 GLU A 43 0.596 -6.241 13.299 1.00 1.00 O ATOM 0 H GLU A 43 -3.602 -4.612 12.192 1.00 1.00 H new ATOM 0 HA GLU A 43 -2.567 -2.534 10.374 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -0.353 -3.535 11.087 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -1.279 -2.890 12.428 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -2.139 -5.208 12.945 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -1.204 -5.850 11.609 1.00 1.00 H new ATOM 663 N TYR A 44 -1.544 -4.130 8.602 1.00 1.00 N ATOM 664 CA TYR A 44 -1.299 -4.918 7.384 1.00 1.00 C ATOM 665 C TYR A 44 0.202 -4.977 7.073 1.00 1.00 C ATOM 666 O TYR A 44 0.969 -4.055 7.351 1.00 1.00 O ATOM 667 CB TYR A 44 -2.070 -4.264 6.222 1.00 1.00 C ATOM 668 CG TYR A 44 -3.575 -4.301 6.541 1.00 1.00 C ATOM 669 CD1 TYR A 44 -4.140 -3.332 7.390 1.00 1.00 C ATOM 670 CD2 TYR A 44 -4.400 -5.317 6.010 1.00 1.00 C ATOM 671 CE1 TYR A 44 -5.507 -3.378 7.700 1.00 1.00 C ATOM 672 CE2 TYR A 44 -5.765 -5.355 6.329 1.00 1.00 C ATOM 673 CZ TYR A 44 -6.314 -4.388 7.170 1.00 1.00 C ATOM 674 OH TYR A 44 -7.657 -4.429 7.481 1.00 1.00 O ATOM 0 H TYR A 44 -1.019 -3.257 8.641 1.00 1.00 H new ATOM 0 HA TYR A 44 -1.645 -5.942 7.528 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -1.739 -3.235 6.082 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -1.869 -4.793 5.291 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -3.520 -2.551 7.804 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -3.978 -6.067 5.357 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -5.937 -2.631 8.350 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -6.392 -6.135 5.923 1.00 1.00 H new ATOM 0 HH TYR A 44 -8.184 -4.196 6.688 1.00 1.00 H new ATOM 684 N TYR A 45 0.602 -6.095 6.477 1.00 1.00 N ATOM 685 CA TYR A 45 2.029 -6.301 6.124 1.00 1.00 C ATOM 686 C TYR A 45 2.328 -5.687 4.758 1.00 1.00 C ATOM 687 O TYR A 45 2.046 -6.269 3.709 1.00 1.00 O ATOM 688 CB TYR A 45 2.375 -7.808 6.126 1.00 1.00 C ATOM 689 CG TYR A 45 3.903 -8.038 6.234 1.00 1.00 C ATOM 690 CD1 TYR A 45 4.739 -7.786 5.127 1.00 1.00 C ATOM 691 CD2 TYR A 45 4.474 -8.530 7.426 1.00 1.00 C ATOM 692 CE1 TYR A 45 6.117 -8.026 5.216 1.00 1.00 C ATOM 693 CE2 TYR A 45 5.853 -8.761 7.506 1.00 1.00 C ATOM 694 CZ TYR A 45 6.670 -8.511 6.404 1.00 1.00 C ATOM 695 OH TYR A 45 8.021 -8.750 6.486 1.00 1.00 O ATOM 0 H TYR A 45 -0.016 -6.867 6.226 1.00 1.00 H new ATOM 0 HA TYR A 45 2.648 -5.806 6.872 1.00 1.00 H new ATOM 0 HB2 TYR A 45 1.872 -8.297 6.960 1.00 1.00 H new ATOM 0 HB3 TYR A 45 2.000 -8.270 5.213 1.00 1.00 H new ATOM 0 HD1 TYR A 45 4.316 -7.407 4.208 1.00 1.00 H new ATOM 0 HD2 TYR A 45 3.845 -8.730 8.281 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.753 -7.836 4.364 1.00 1.00 H new ATOM 0 HE2 TYR A 45 6.285 -9.134 8.423 1.00 1.00 H new ATOM 0 HH TYR A 45 8.487 -8.231 5.798 1.00 1.00 H new ATOM 705 N ILE A 46 2.929 -4.503 4.793 1.00 1.00 N ATOM 706 CA ILE A 46 3.304 -3.742 3.574 1.00 1.00 C ATOM 707 C ILE A 46 4.827 -3.815 3.374 1.00 1.00 C ATOM 708 O ILE A 46 5.609 -3.719 4.320 1.00 1.00 O ATOM 709 CB ILE A 46 2.811 -2.240 3.749 1.00 1.00 C ATOM 710 CG1 ILE A 46 1.313 -2.071 3.283 1.00 1.00 C ATOM 711 CG2 ILE A 46 3.693 -1.219 2.949 1.00 1.00 C ATOM 712 CD1 ILE A 46 0.390 -3.142 3.876 1.00 1.00 C ATOM 0 H ILE A 46 3.177 -4.030 5.662 1.00 1.00 H new ATOM 0 HA ILE A 46 2.831 -4.167 2.689 1.00 1.00 H new ATOM 0 HB ILE A 46 2.901 -2.023 4.813 1.00 1.00 H new ATOM 0 HG12 ILE A 46 0.954 -1.084 3.575 1.00 1.00 H new ATOM 0 HG13 ILE A 46 1.267 -2.118 2.195 1.00 1.00 H new ATOM 0 HG21 ILE A 46 3.312 -0.210 3.104 1.00 1.00 H new ATOM 0 HG22 ILE A 46 4.724 -1.276 3.299 1.00 1.00 H new ATOM 0 HG23 ILE A 46 3.657 -1.461 1.887 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -0.629 -2.980 3.524 1.00 1.00 H new ATOM 0 HD12 ILE A 46 0.730 -4.129 3.562 1.00 1.00 H new ATOM 0 HD13 ILE A 46 0.412 -3.079 4.964 1.00 1.00 H new ATOM 724 N HIS A 47 5.245 -3.959 2.122 1.00 1.00 N ATOM 725 CA HIS A 47 6.668 -4.015 1.757 1.00 1.00 C ATOM 726 C HIS A 47 6.887 -3.287 0.421 1.00 1.00 C ATOM 727 O HIS A 47 6.053 -3.358 -0.480 1.00 1.00 O ATOM 728 CB HIS A 47 7.122 -5.489 1.651 1.00 1.00 C ATOM 729 CG HIS A 47 6.459 -6.181 0.483 1.00 1.00 C ATOM 730 ND1 HIS A 47 5.454 -7.119 0.637 1.00 1.00 N ATOM 731 CD2 HIS A 47 6.688 -6.098 -0.864 1.00 1.00 C ATOM 732 CE1 HIS A 47 5.132 -7.566 -0.593 1.00 1.00 C ATOM 733 NE2 HIS A 47 5.862 -6.979 -1.536 1.00 1.00 N ATOM 0 H HIS A 47 4.612 -4.041 1.326 1.00 1.00 H new ATOM 0 HA HIS A 47 7.262 -3.522 2.527 1.00 1.00 H new ATOM 0 HB2 HIS A 47 8.205 -5.532 1.535 1.00 1.00 H new ATOM 0 HB3 HIS A 47 6.879 -6.015 2.574 1.00 1.00 H new ATOM 0 HD1 HIS A 47 5.035 -7.417 1.518 1.00 1.00 H new ATOM 0 HD2 HIS A 47 7.407 -5.442 -1.332 1.00 1.00 H new ATOM 0 HE1 HIS A 47 4.374 -8.310 -0.788 1.00 1.00 H new ATOM 742 N TYR A 48 8.020 -2.607 0.281 1.00 1.00 N ATOM 743 CA TYR A 48 8.339 -1.876 -0.956 1.00 1.00 C ATOM 744 C TYR A 48 8.846 -2.857 -2.028 1.00 1.00 C ATOM 745 O TYR A 48 9.698 -3.707 -1.766 1.00 1.00 O ATOM 746 CB TYR A 48 9.402 -0.806 -0.650 1.00 1.00 C ATOM 747 CG TYR A 48 8.841 0.181 0.389 1.00 1.00 C ATOM 748 CD1 TYR A 48 7.976 1.217 -0.021 1.00 1.00 C ATOM 749 CD2 TYR A 48 9.169 0.058 1.756 1.00 1.00 C ATOM 750 CE1 TYR A 48 7.452 2.111 0.923 1.00 1.00 C ATOM 751 CE2 TYR A 48 8.640 0.957 2.691 1.00 1.00 C ATOM 752 CZ TYR A 48 7.784 1.982 2.273 1.00 1.00 C ATOM 753 OH TYR A 48 7.263 2.865 3.196 1.00 1.00 O ATOM 0 H TYR A 48 8.737 -2.542 1.004 1.00 1.00 H new ATOM 0 HA TYR A 48 7.443 -1.387 -1.338 1.00 1.00 H new ATOM 0 HB2 TYR A 48 10.309 -1.276 -0.270 1.00 1.00 H new ATOM 0 HB3 TYR A 48 9.675 -0.276 -1.562 1.00 1.00 H new ATOM 0 HD1 TYR A 48 7.717 1.322 -1.064 1.00 1.00 H new ATOM 0 HD2 TYR A 48 9.830 -0.732 2.082 1.00 1.00 H new ATOM 0 HE1 TYR A 48 6.789 2.902 0.605 1.00 1.00 H new ATOM 0 HE2 TYR A 48 8.893 0.859 3.736 1.00 1.00 H new ATOM 0 HH TYR A 48 7.654 2.686 4.077 1.00 1.00 H new ATOM 763 N ALA A 49 8.317 -2.736 -3.240 1.00 1.00 N ATOM 764 CA ALA A 49 8.707 -3.622 -4.346 1.00 1.00 C ATOM 765 C ALA A 49 10.187 -3.427 -4.711 1.00 1.00 C ATOM 766 O ALA A 49 10.661 -2.298 -4.855 1.00 1.00 O ATOM 767 CB ALA A 49 7.819 -3.326 -5.570 1.00 1.00 C ATOM 0 H ALA A 49 7.618 -2.036 -3.488 1.00 1.00 H new ATOM 0 HA ALA A 49 8.571 -4.657 -4.032 1.00 1.00 H new ATOM 0 HB1 ALA A 49 8.104 -3.981 -6.393 1.00 1.00 H new ATOM 0 HB2 ALA A 49 6.774 -3.501 -5.313 1.00 1.00 H new ATOM 0 HB3 ALA A 49 7.949 -2.287 -5.871 1.00 1.00 H new ATOM 773 N GLY A 50 10.917 -4.526 -4.866 1.00 1.00 N ATOM 774 CA GLY A 50 12.346 -4.484 -5.222 1.00 1.00 C ATOM 775 C GLY A 50 13.219 -4.265 -3.991 1.00 1.00 C ATOM 776 O GLY A 50 14.344 -3.774 -4.094 1.00 1.00 O ATOM 0 H GLY A 50 10.546 -5.469 -4.751 1.00 1.00 H new ATOM 0 HA2 GLY A 50 12.629 -5.417 -5.709 1.00 1.00 H new ATOM 0 HA3 GLY A 50 12.520 -3.683 -5.941 1.00 1.00 H new ATOM 780 N TRP A 51 12.705 -4.633 -2.822 1.00 1.00 N ATOM 781 CA TRP A 51 13.444 -4.474 -1.549 1.00 1.00 C ATOM 782 C TRP A 51 13.178 -5.654 -0.611 1.00 1.00 C ATOM 783 O TRP A 51 12.228 -6.420 -0.774 1.00 1.00 O ATOM 784 CB TRP A 51 13.017 -3.154 -0.876 1.00 1.00 C ATOM 785 CG TRP A 51 13.375 -1.994 -1.769 1.00 1.00 C ATOM 786 CD1 TRP A 51 12.517 -1.310 -2.563 1.00 1.00 C ATOM 787 CD2 TRP A 51 14.686 -1.384 -1.971 1.00 1.00 C ATOM 788 NE1 TRP A 51 13.212 -0.320 -3.231 1.00 1.00 N ATOM 789 CE2 TRP A 51 14.552 -0.326 -2.902 1.00 1.00 C ATOM 790 CE3 TRP A 51 15.959 -1.644 -1.440 1.00 1.00 C ATOM 791 CZ2 TRP A 51 15.644 0.447 -3.291 1.00 1.00 C ATOM 792 CZ3 TRP A 51 17.065 -0.870 -1.830 1.00 1.00 C ATOM 793 CH2 TRP A 51 16.908 0.176 -2.754 1.00 1.00 C ATOM 0 H TRP A 51 11.778 -5.046 -2.717 1.00 1.00 H new ATOM 0 HA TRP A 51 14.513 -4.449 -1.762 1.00 1.00 H new ATOM 0 HB2 TRP A 51 11.944 -3.162 -0.685 1.00 1.00 H new ATOM 0 HB3 TRP A 51 13.512 -3.049 0.090 1.00 1.00 H new ATOM 0 HD1 TRP A 51 11.459 -1.507 -2.659 1.00 1.00 H new ATOM 0 HE1 TRP A 51 12.787 0.335 -3.887 1.00 1.00 H new ATOM 0 HE3 TRP A 51 16.089 -2.444 -0.727 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 15.516 1.250 -4.002 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 18.041 -1.080 -1.417 1.00 1.00 H new ATOM 0 HH2 TRP A 51 17.760 0.770 -3.049 1.00 1.00 H new ATOM 804 N SER A 52 14.045 -5.798 0.388 1.00 1.00 N ATOM 805 CA SER A 52 13.923 -6.884 1.366 1.00 1.00 C ATOM 806 C SER A 52 12.649 -6.718 2.202 1.00 1.00 C ATOM 807 O SER A 52 12.283 -5.605 2.580 1.00 1.00 O ATOM 808 CB SER A 52 15.154 -6.874 2.286 1.00 1.00 C ATOM 809 OG SER A 52 16.321 -7.067 1.499 1.00 1.00 O ATOM 0 H SER A 52 14.840 -5.179 0.544 1.00 1.00 H new ATOM 0 HA SER A 52 13.864 -7.834 0.836 1.00 1.00 H new ATOM 0 HB2 SER A 52 15.215 -5.928 2.824 1.00 1.00 H new ATOM 0 HB3 SER A 52 15.071 -7.661 3.035 1.00 1.00 H new ATOM 0 HG SER A 52 17.111 -7.060 2.079 1.00 1.00 H new ATOM 815 N LYS A 53 11.981 -7.828 2.495 1.00 1.00 N ATOM 816 CA LYS A 53 10.747 -7.844 3.297 1.00 1.00 C ATOM 817 C LYS A 53 11.059 -7.882 4.792 1.00 1.00 C ATOM 818 O LYS A 53 10.150 -7.806 5.618 1.00 1.00 O ATOM 819 CB LYS A 53 9.850 -9.039 2.889 1.00 1.00 C ATOM 820 CG LYS A 53 10.577 -10.387 3.097 1.00 1.00 C ATOM 821 CD LYS A 53 9.662 -11.550 2.642 1.00 1.00 C ATOM 822 CE LYS A 53 10.378 -12.898 2.835 1.00 1.00 C ATOM 823 NZ LYS A 53 11.622 -12.913 2.015 1.00 1.00 N ATOM 0 H LYS A 53 12.277 -8.753 2.184 1.00 1.00 H new ATOM 0 HA LYS A 53 10.202 -6.921 3.097 1.00 1.00 H new ATOM 0 HB2 LYS A 53 8.932 -9.024 3.477 1.00 1.00 H new ATOM 0 HB3 LYS A 53 9.560 -8.938 1.843 1.00 1.00 H new ATOM 0 HG2 LYS A 53 11.508 -10.400 2.530 1.00 1.00 H new ATOM 0 HG3 LYS A 53 10.842 -10.510 4.147 1.00 1.00 H new ATOM 0 HD2 LYS A 53 8.735 -11.538 3.214 1.00 1.00 H new ATOM 0 HD3 LYS A 53 9.392 -11.421 1.594 1.00 1.00 H new ATOM 0 HE2 LYS A 53 10.620 -13.048 3.887 1.00 1.00 H new ATOM 0 HE3 LYS A 53 9.723 -13.717 2.539 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 11.927 -13.896 1.864 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 11.437 -12.463 1.096 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 12.372 -12.390 2.512 1.00 1.00 H new ATOM 837 N ASN A 54 12.331 -8.021 5.156 1.00 1.00 N ATOM 838 CA ASN A 54 12.734 -8.090 6.565 1.00 1.00 C ATOM 839 C ASN A 54 12.453 -6.765 7.273 1.00 1.00 C ATOM 840 O ASN A 54 12.529 -6.676 8.498 1.00 1.00 O ATOM 841 CB ASN A 54 14.235 -8.445 6.662 1.00 1.00 C ATOM 842 CG ASN A 54 14.654 -8.663 8.121 1.00 1.00 C ATOM 843 OD1 ASN A 54 13.876 -9.195 8.914 1.00 1.00 O ATOM 844 ND2 ASN A 54 15.836 -8.283 8.522 1.00 1.00 N ATOM 0 H ASN A 54 13.105 -8.089 4.495 1.00 1.00 H new ATOM 0 HA ASN A 54 12.151 -8.868 7.059 1.00 1.00 H new ATOM 0 HB2 ASN A 54 14.438 -9.346 6.083 1.00 1.00 H new ATOM 0 HB3 ASN A 54 14.831 -7.644 6.224 1.00 1.00 H new ATOM 0 HD21 ASN A 54 16.116 -8.426 9.492 1.00 1.00 H new ATOM 0 HD22 ASN A 54 16.480 -7.842 7.865 1.00 1.00 H new ATOM 851 N TRP A 55 12.132 -5.734 6.499 1.00 1.00 N ATOM 852 CA TRP A 55 11.830 -4.407 7.046 1.00 1.00 C ATOM 853 C TRP A 55 10.484 -4.446 7.773 1.00 1.00 C ATOM 854 O TRP A 55 10.248 -3.656 8.688 1.00 1.00 O ATOM 855 CB TRP A 55 11.808 -3.362 5.900 1.00 1.00 C ATOM 856 CG TRP A 55 13.201 -3.137 5.367 1.00 1.00 C ATOM 857 CD1 TRP A 55 13.964 -4.074 4.758 1.00 1.00 C ATOM 858 CD2 TRP A 55 14.001 -1.916 5.393 1.00 1.00 C ATOM 859 NE1 TRP A 55 15.178 -3.508 4.409 1.00 1.00 N ATOM 860 CE2 TRP A 55 15.248 -2.179 4.777 1.00 1.00 C ATOM 861 CE3 TRP A 55 13.769 -0.616 5.885 1.00 1.00 C ATOM 862 CZ2 TRP A 55 16.227 -1.194 4.653 1.00 1.00 C ATOM 863 CZ3 TRP A 55 14.754 0.380 5.762 1.00 1.00 C ATOM 864 CH2 TRP A 55 15.981 0.090 5.147 1.00 1.00 C ATOM 0 H TRP A 55 12.073 -5.788 5.482 1.00 1.00 H new ATOM 0 HA TRP A 55 12.602 -4.119 7.760 1.00 1.00 H new ATOM 0 HB2 TRP A 55 11.156 -3.707 5.097 1.00 1.00 H new ATOM 0 HB3 TRP A 55 11.395 -2.422 6.265 1.00 1.00 H new ATOM 0 HD1 TRP A 55 13.673 -5.098 4.574 1.00 1.00 H new ATOM 0 HE1 TRP A 55 15.929 -4.011 3.937 1.00 1.00 H new ATOM 0 HE3 TRP A 55 12.828 -0.383 6.360 1.00 1.00 H new ATOM 0 HZ2 TRP A 55 17.170 -1.422 4.178 1.00 1.00 H new ATOM 0 HZ3 TRP A 55 14.565 1.373 6.143 1.00 1.00 H new ATOM 0 HH2 TRP A 55 16.735 0.858 5.055 1.00 1.00 H new ATOM 875 N ASP A 56 9.606 -5.353 7.360 1.00 1.00 N ATOM 876 CA ASP A 56 8.266 -5.532 7.957 1.00 1.00 C ATOM 877 C ASP A 56 7.589 -4.194 8.305 1.00 1.00 C ATOM 878 O ASP A 56 7.492 -3.826 9.476 1.00 1.00 O ATOM 879 CB ASP A 56 8.385 -6.407 9.225 1.00 1.00 C ATOM 880 CG ASP A 56 9.034 -7.752 8.893 1.00 1.00 C ATOM 881 OD1 ASP A 56 9.981 -7.760 8.125 1.00 1.00 O ATOM 882 OD2 ASP A 56 8.574 -8.758 9.413 1.00 1.00 O ATOM 0 H ASP A 56 9.796 -5.998 6.593 1.00 1.00 H new ATOM 0 HA ASP A 56 7.637 -6.022 7.214 1.00 1.00 H new ATOM 0 HB2 ASP A 56 8.978 -5.887 9.978 1.00 1.00 H new ATOM 0 HB3 ASP A 56 7.397 -6.570 9.655 1.00 1.00 H new ATOM 887 N GLU A 57 7.121 -3.455 7.304 1.00 1.00 N ATOM 888 CA GLU A 57 6.471 -2.155 7.542 1.00 1.00 C ATOM 889 C GLU A 57 4.992 -2.353 7.868 1.00 1.00 C ATOM 890 O GLU A 57 4.133 -2.255 6.991 1.00 1.00 O ATOM 891 CB GLU A 57 6.636 -1.252 6.293 1.00 1.00 C ATOM 892 CG GLU A 57 6.160 0.192 6.582 1.00 1.00 C ATOM 893 CD GLU A 57 6.327 1.084 5.348 1.00 1.00 C ATOM 894 OE1 GLU A 57 6.407 0.548 4.253 1.00 1.00 O ATOM 895 OE2 GLU A 57 6.380 2.290 5.517 1.00 1.00 O ATOM 0 H GLU A 57 7.176 -3.726 6.322 1.00 1.00 H new ATOM 0 HA GLU A 57 6.946 -1.669 8.394 1.00 1.00 H new ATOM 0 HB2 GLU A 57 7.682 -1.239 5.986 1.00 1.00 H new ATOM 0 HB3 GLU A 57 6.065 -1.667 5.462 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.114 0.179 6.887 1.00 1.00 H new ATOM 0 HG3 GLU A 57 6.729 0.606 7.414 1.00 1.00 H new ATOM 902 N TRP A 58 4.683 -2.602 9.137 1.00 1.00 N ATOM 903 CA TRP A 58 3.302 -2.794 9.601 1.00 1.00 C ATOM 904 C TRP A 58 2.662 -1.414 9.806 1.00 1.00 C ATOM 905 O TRP A 58 3.173 -0.587 10.562 1.00 1.00 O ATOM 906 CB TRP A 58 3.311 -3.596 10.952 1.00 1.00 C ATOM 907 CG TRP A 58 3.299 -5.088 10.719 1.00 1.00 C ATOM 908 CD1 TRP A 58 2.316 -5.762 10.077 1.00 1.00 C ATOM 909 CD2 TRP A 58 4.276 -6.091 11.131 1.00 1.00 C ATOM 910 NE1 TRP A 58 2.629 -7.108 10.066 1.00 1.00 N ATOM 911 CE2 TRP A 58 3.826 -7.363 10.701 1.00 1.00 C ATOM 912 CE3 TRP A 58 5.497 -6.022 11.827 1.00 1.00 C ATOM 913 CZ2 TRP A 58 4.557 -8.527 10.952 1.00 1.00 C ATOM 914 CZ3 TRP A 58 6.237 -7.190 12.084 1.00 1.00 C ATOM 915 CH2 TRP A 58 5.768 -8.439 11.646 1.00 1.00 C ATOM 0 H TRP A 58 5.380 -2.678 9.878 1.00 1.00 H new ATOM 0 HA TRP A 58 2.728 -3.358 8.865 1.00 1.00 H new ATOM 0 HB2 TRP A 58 4.195 -3.325 11.529 1.00 1.00 H new ATOM 0 HB3 TRP A 58 2.443 -3.314 11.548 1.00 1.00 H new ATOM 0 HD1 TRP A 58 1.431 -5.320 9.644 1.00 1.00 H new ATOM 0 HE1 TRP A 58 2.044 -7.827 9.639 1.00 1.00 H new ATOM 0 HE3 TRP A 58 5.868 -5.066 12.166 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 4.191 -9.485 10.614 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 7.172 -7.126 12.621 1.00 1.00 H new ATOM 0 HH2 TRP A 58 6.342 -9.332 11.845 1.00 1.00 H new ATOM 926 N VAL A 59 1.539 -1.159 9.142 1.00 1.00 N ATOM 927 CA VAL A 59 0.860 0.173 9.278 1.00 1.00 C ATOM 928 C VAL A 59 -0.692 0.067 9.278 1.00 1.00 C ATOM 929 O VAL A 59 -1.225 -0.923 8.776 1.00 1.00 O ATOM 930 CB VAL A 59 1.328 1.127 8.129 1.00 1.00 C ATOM 931 CG1 VAL A 59 2.749 1.680 8.402 1.00 1.00 C ATOM 932 CG2 VAL A 59 1.320 0.368 6.779 1.00 1.00 C ATOM 0 H VAL A 59 1.074 -1.818 8.518 1.00 1.00 H new ATOM 0 HA VAL A 59 1.149 0.579 10.247 1.00 1.00 H new ATOM 0 HB VAL A 59 0.635 1.967 8.085 1.00 1.00 H new ATOM 0 HG11 VAL A 59 3.046 2.339 7.586 1.00 1.00 H new ATOM 0 HG12 VAL A 59 2.748 2.239 9.338 1.00 1.00 H new ATOM 0 HG13 VAL A 59 3.454 0.852 8.474 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.647 1.037 5.983 1.00 1.00 H new ATOM 0 HG22 VAL A 59 1.997 -0.484 6.837 1.00 1.00 H new ATOM 0 HG23 VAL A 59 0.311 0.016 6.565 1.00 1.00 H new ATOM 942 N PRO A 60 -1.389 1.040 9.798 1.00 1.00 N ATOM 943 CA PRO A 60 -2.901 1.010 9.829 1.00 1.00 C ATOM 944 C PRO A 60 -3.503 1.254 8.437 1.00 1.00 C ATOM 945 O PRO A 60 -2.877 1.840 7.555 1.00 1.00 O ATOM 946 CB PRO A 60 -3.294 2.155 10.837 1.00 1.00 C ATOM 947 CG PRO A 60 -1.998 2.543 11.500 1.00 1.00 C ATOM 948 CD PRO A 60 -0.937 2.326 10.416 1.00 1.00 C ATOM 0 HA PRO A 60 -3.286 0.038 10.137 1.00 1.00 H new ATOM 0 HB2 PRO A 60 -3.743 3.002 10.318 1.00 1.00 H new ATOM 0 HB3 PRO A 60 -4.024 1.806 11.568 1.00 1.00 H new ATOM 0 HG2 PRO A 60 -2.018 3.580 11.835 1.00 1.00 H new ATOM 0 HG3 PRO A 60 -1.801 1.928 12.378 1.00 1.00 H new ATOM 0 HD2 PRO A 60 -0.918 3.142 9.694 1.00 1.00 H new ATOM 0 HD3 PRO A 60 0.066 2.248 10.835 1.00 1.00 H new ATOM 956 N GLU A 61 -4.740 0.807 8.250 1.00 1.00 N ATOM 957 CA GLU A 61 -5.440 0.979 6.964 1.00 1.00 C ATOM 958 C GLU A 61 -5.434 2.448 6.509 1.00 1.00 C ATOM 959 O GLU A 61 -5.470 2.745 5.316 1.00 1.00 O ATOM 960 CB GLU A 61 -6.897 0.473 7.099 1.00 1.00 C ATOM 961 CG GLU A 61 -7.665 0.518 5.733 1.00 1.00 C ATOM 962 CD GLU A 61 -8.175 1.932 5.409 1.00 1.00 C ATOM 963 OE1 GLU A 61 -8.788 2.533 6.278 1.00 1.00 O ATOM 964 OE2 GLU A 61 -7.946 2.390 4.300 1.00 1.00 O ATOM 0 H GLU A 61 -5.284 0.323 8.964 1.00 1.00 H new ATOM 0 HA GLU A 61 -4.913 0.396 6.208 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -6.892 -0.549 7.478 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -7.426 1.082 7.832 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -7.006 0.178 4.934 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -8.507 -0.173 5.767 1.00 1.00 H new ATOM 971 N ASN A 62 -5.393 3.368 7.467 1.00 1.00 N ATOM 972 CA ASN A 62 -5.402 4.806 7.168 1.00 1.00 C ATOM 973 C ASN A 62 -4.194 5.223 6.310 1.00 1.00 C ATOM 974 O ASN A 62 -4.335 6.011 5.376 1.00 1.00 O ATOM 975 CB ASN A 62 -5.400 5.598 8.492 1.00 1.00 C ATOM 976 CG ASN A 62 -6.594 5.182 9.351 1.00 1.00 C ATOM 977 OD1 ASN A 62 -6.481 5.102 10.573 1.00 1.00 O ATOM 978 ND2 ASN A 62 -7.737 4.910 8.779 1.00 1.00 N ATOM 0 H ASN A 62 -5.353 3.148 8.462 1.00 1.00 H new ATOM 0 HA ASN A 62 -6.302 5.027 6.595 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -4.471 5.416 9.033 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -5.445 6.667 8.286 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -8.537 4.631 9.346 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -7.829 4.977 7.765 1.00 1.00 H new ATOM 985 N ARG A 63 -3.013 4.700 6.621 1.00 1.00 N ATOM 986 CA ARG A 63 -1.776 5.039 5.873 1.00 1.00 C ATOM 987 C ARG A 63 -1.659 4.203 4.584 1.00 1.00 C ATOM 988 O ARG A 63 -0.706 4.352 3.818 1.00 1.00 O ATOM 989 CB ARG A 63 -0.533 4.810 6.798 1.00 1.00 C ATOM 990 CG ARG A 63 0.705 5.693 6.380 1.00 1.00 C ATOM 991 CD ARG A 63 0.630 7.102 7.017 1.00 1.00 C ATOM 992 NE ARG A 63 1.729 7.946 6.533 1.00 1.00 N ATOM 993 CZ ARG A 63 1.880 9.216 6.943 1.00 1.00 C ATOM 994 NH1 ARG A 63 1.073 9.722 7.843 1.00 1.00 N ATOM 995 NH2 ARG A 63 2.839 9.951 6.447 1.00 1.00 N ATOM 0 H ARG A 63 -2.871 4.038 7.384 1.00 1.00 H new ATOM 0 HA ARG A 63 -1.818 6.088 5.578 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -0.805 5.037 7.829 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -0.251 3.758 6.767 1.00 1.00 H new ATOM 0 HG2 ARG A 63 1.627 5.200 6.689 1.00 1.00 H new ATOM 0 HG3 ARG A 63 0.740 5.784 5.294 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -0.326 7.566 6.775 1.00 1.00 H new ATOM 0 HD3 ARG A 63 0.679 7.019 8.103 1.00 1.00 H new ATOM 0 HE ARG A 63 2.396 7.557 5.867 1.00 1.00 H new ATOM 0 HH11 ARG A 63 0.325 9.151 8.236 1.00 1.00 H new ATOM 0 HH12 ARG A 63 1.193 10.687 8.150 1.00 1.00 H new ATOM 0 HH21 ARG A 63 3.472 9.560 5.749 1.00 1.00 H new ATOM 0 HH22 ARG A 63 2.955 10.916 6.757 1.00 1.00 H new ATOM 1009 N VAL A 64 -2.634 3.333 4.338 1.00 1.00 N ATOM 1010 CA VAL A 64 -2.646 2.451 3.139 1.00 1.00 C ATOM 1011 C VAL A 64 -3.747 2.887 2.162 1.00 1.00 C ATOM 1012 O VAL A 64 -4.850 3.268 2.555 1.00 1.00 O ATOM 1013 CB VAL A 64 -2.871 0.981 3.590 1.00 1.00 C ATOM 1014 CG1 VAL A 64 -2.820 0.017 2.379 1.00 1.00 C ATOM 1015 CG2 VAL A 64 -1.770 0.578 4.600 1.00 1.00 C ATOM 0 H VAL A 64 -3.440 3.207 4.950 1.00 1.00 H new ATOM 0 HA VAL A 64 -1.689 2.529 2.624 1.00 1.00 H new ATOM 0 HB VAL A 64 -3.855 0.911 4.054 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -2.980 -1.006 2.721 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -3.599 0.287 1.666 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -1.845 0.090 1.897 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -1.927 -0.453 4.917 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -0.792 0.667 4.127 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -1.815 1.235 5.468 1.00 1.00 H new ATOM 1025 N LEU A 65 -3.438 2.838 0.871 1.00 1.00 N ATOM 1026 CA LEU A 65 -4.405 3.239 -0.188 1.00 1.00 C ATOM 1027 C LEU A 65 -4.601 2.098 -1.193 1.00 1.00 C ATOM 1028 O LEU A 65 -3.649 1.465 -1.651 1.00 1.00 O ATOM 1029 CB LEU A 65 -3.891 4.514 -0.898 1.00 1.00 C ATOM 1030 CG LEU A 65 -4.879 5.036 -1.998 1.00 1.00 C ATOM 1031 CD1 LEU A 65 -6.291 5.363 -1.414 1.00 1.00 C ATOM 1032 CD2 LEU A 65 -4.277 6.308 -2.649 1.00 1.00 C ATOM 0 H LEU A 65 -2.533 2.528 0.516 1.00 1.00 H new ATOM 0 HA LEU A 65 -5.371 3.453 0.268 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -3.732 5.298 -0.157 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -2.923 4.305 -1.354 1.00 1.00 H new ATOM 0 HG LEU A 65 -5.009 4.248 -2.740 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -6.941 5.721 -2.212 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -6.720 4.463 -0.973 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -6.199 6.133 -0.649 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -4.956 6.680 -3.416 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -4.135 7.074 -1.887 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -3.316 6.065 -3.102 1.00 1.00 H new ATOM 1044 N LYS A 66 -5.859 1.840 -1.540 1.00 1.00 N ATOM 1045 CA LYS A 66 -6.202 0.772 -2.485 1.00 1.00 C ATOM 1046 C LYS A 66 -5.649 1.077 -3.881 1.00 1.00 C ATOM 1047 O LYS A 66 -5.508 2.237 -4.270 1.00 1.00 O ATOM 1048 CB LYS A 66 -7.741 0.608 -2.533 1.00 1.00 C ATOM 1049 CG LYS A 66 -8.151 -0.614 -3.398 1.00 1.00 C ATOM 1050 CD LYS A 66 -9.681 -0.879 -3.309 1.00 1.00 C ATOM 1051 CE LYS A 66 -10.512 0.293 -3.898 1.00 1.00 C ATOM 1052 NZ LYS A 66 -11.902 -0.179 -4.157 1.00 1.00 N ATOM 0 H LYS A 66 -6.663 2.356 -1.182 1.00 1.00 H new ATOM 0 HA LYS A 66 -5.749 -0.160 -2.147 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -8.128 0.486 -1.521 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -8.193 1.513 -2.940 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -7.870 -0.439 -4.436 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -7.606 -1.498 -3.065 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -9.921 -1.798 -3.844 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -9.962 -1.034 -2.267 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -10.523 1.133 -3.203 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -10.057 0.650 -4.822 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -12.465 0.601 -4.552 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -11.880 -0.968 -4.834 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -12.331 -0.500 -3.266 1.00 1.00 H new ATOM 1066 N TYR A 67 -5.339 0.022 -4.626 1.00 1.00 N ATOM 1067 CA TYR A 67 -4.807 0.170 -5.990 1.00 1.00 C ATOM 1068 C TYR A 67 -5.963 0.386 -6.968 1.00 1.00 C ATOM 1069 O TYR A 67 -6.826 -0.475 -7.143 1.00 1.00 O ATOM 1070 CB TYR A 67 -4.023 -1.106 -6.379 1.00 1.00 C ATOM 1071 CG TYR A 67 -3.418 -0.966 -7.788 1.00 1.00 C ATOM 1072 CD1 TYR A 67 -2.324 -0.103 -7.994 1.00 1.00 C ATOM 1073 CD2 TYR A 67 -3.937 -1.694 -8.882 1.00 1.00 C ATOM 1074 CE1 TYR A 67 -1.763 0.032 -9.270 1.00 1.00 C ATOM 1075 CE2 TYR A 67 -3.369 -1.552 -10.155 1.00 1.00 C ATOM 1076 CZ TYR A 67 -2.284 -0.693 -10.347 1.00 1.00 C ATOM 1077 OH TYR A 67 -1.725 -0.561 -11.601 1.00 1.00 O ATOM 0 H TYR A 67 -5.444 -0.944 -4.317 1.00 1.00 H new ATOM 0 HA TYR A 67 -4.138 1.029 -6.030 1.00 1.00 H new ATOM 0 HB2 TYR A 67 -3.230 -1.286 -5.654 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -4.687 -1.970 -6.347 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -1.916 0.457 -7.165 1.00 1.00 H new ATOM 0 HD2 TYR A 67 -4.773 -2.362 -8.737 1.00 1.00 H new ATOM 0 HE1 TYR A 67 -0.926 0.697 -9.423 1.00 1.00 H new ATOM 0 HE2 TYR A 67 -3.771 -2.108 -10.989 1.00 1.00 H new ATOM 0 HH TYR A 67 -2.205 -1.134 -12.235 1.00 1.00 H new ATOM 1087 N ASN A 68 -5.967 1.539 -7.629 1.00 1.00 N ATOM 1088 CA ASN A 68 -7.019 1.867 -8.599 1.00 1.00 C ATOM 1089 C ASN A 68 -6.488 2.847 -9.638 1.00 1.00 C ATOM 1090 O ASN A 68 -5.755 3.780 -9.312 1.00 1.00 O ATOM 1091 CB ASN A 68 -8.229 2.479 -7.863 1.00 1.00 C ATOM 1092 CG ASN A 68 -9.389 2.732 -8.831 1.00 1.00 C ATOM 1093 OD1 ASN A 68 -9.796 3.875 -9.030 1.00 1.00 O ATOM 1094 ND2 ASN A 68 -9.939 1.725 -9.446 1.00 1.00 N ATOM 0 H ASN A 68 -5.258 2.263 -7.515 1.00 1.00 H new ATOM 0 HA ASN A 68 -7.332 0.956 -9.108 1.00 1.00 H new ATOM 0 HB2 ASN A 68 -8.554 1.807 -7.068 1.00 1.00 H new ATOM 0 HB3 ASN A 68 -7.935 3.415 -7.389 1.00 1.00 H new ATOM 0 HD21 ASN A 68 -10.710 1.883 -10.095 1.00 1.00 H new ATOM 0 HD22 ASN A 68 -9.599 0.778 -9.279 1.00 1.00 H new ATOM 1101 N ASP A 69 -6.879 2.626 -10.890 1.00 1.00 N ATOM 1102 CA ASP A 69 -6.454 3.485 -11.994 1.00 1.00 C ATOM 1103 C ASP A 69 -6.598 4.980 -11.638 1.00 1.00 C ATOM 1104 O ASP A 69 -5.852 5.818 -12.145 1.00 1.00 O ATOM 1105 CB ASP A 69 -7.298 3.150 -13.233 1.00 1.00 C ATOM 1106 CG ASP A 69 -8.783 3.363 -12.930 1.00 1.00 C ATOM 1107 OD1 ASP A 69 -9.232 2.870 -11.908 1.00 1.00 O ATOM 1108 OD2 ASP A 69 -9.444 4.018 -13.720 1.00 1.00 O ATOM 0 H ASP A 69 -7.491 1.858 -11.167 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.399 3.301 -12.197 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -6.996 3.779 -14.070 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -7.124 2.116 -13.532 1.00 1.00 H new ATOM 1113 N ASP A 70 -7.549 5.307 -10.771 1.00 1.00 N ATOM 1114 CA ASP A 70 -7.779 6.694 -10.341 1.00 1.00 C ATOM 1115 C ASP A 70 -6.642 7.163 -9.428 1.00 1.00 C ATOM 1116 O ASP A 70 -6.119 8.265 -9.600 1.00 1.00 O ATOM 1117 CB ASP A 70 -9.132 6.802 -9.602 1.00 1.00 C ATOM 1118 CG ASP A 70 -9.453 8.267 -9.272 1.00 1.00 C ATOM 1119 OD1 ASP A 70 -9.653 9.029 -10.204 1.00 1.00 O ATOM 1120 OD2 ASP A 70 -9.486 8.602 -8.098 1.00 1.00 O ATOM 0 H ASP A 70 -8.181 4.629 -10.345 1.00 1.00 H new ATOM 0 HA ASP A 70 -7.805 7.334 -11.223 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -9.925 6.381 -10.220 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -9.099 6.216 -8.684 1.00 1.00 H new ATOM 1125 N ASN A 71 -6.250 6.342 -8.460 1.00 1.00 N ATOM 1126 CA ASN A 71 -5.161 6.689 -7.534 1.00 1.00 C ATOM 1127 C ASN A 71 -3.853 6.791 -8.318 1.00 1.00 C ATOM 1128 O ASN A 71 -2.994 7.627 -8.036 1.00 1.00 O ATOM 1129 CB ASN A 71 -5.044 5.636 -6.420 1.00 1.00 C ATOM 1130 CG ASN A 71 -6.375 5.500 -5.683 1.00 1.00 C ATOM 1131 OD1 ASN A 71 -7.081 6.489 -5.484 1.00 1.00 O ATOM 1132 ND2 ASN A 71 -6.756 4.326 -5.263 1.00 1.00 N ATOM 0 H ASN A 71 -6.667 5.427 -8.290 1.00 1.00 H new ATOM 0 HA ASN A 71 -5.376 7.649 -7.064 1.00 1.00 H new ATOM 0 HB2 ASN A 71 -4.756 4.675 -6.846 1.00 1.00 H new ATOM 0 HB3 ASN A 71 -4.259 5.922 -5.720 1.00 1.00 H new ATOM 0 HD21 ASN A 71 -7.642 4.224 -4.768 1.00 1.00 H new ATOM 0 HD22 ASN A 71 -6.168 3.509 -5.430 1.00 1.00 H new ATOM 1139 N VAL A 72 -3.717 5.936 -9.325 1.00 1.00 N ATOM 1140 CA VAL A 72 -2.528 5.949 -10.189 1.00 1.00 C ATOM 1141 C VAL A 72 -2.520 7.275 -10.956 1.00 1.00 C ATOM 1142 O VAL A 72 -1.486 7.929 -11.079 1.00 1.00 O ATOM 1143 CB VAL A 72 -2.555 4.737 -11.161 1.00 1.00 C ATOM 1144 CG1 VAL A 72 -1.346 4.776 -12.138 1.00 1.00 C ATOM 1145 CG2 VAL A 72 -2.506 3.425 -10.342 1.00 1.00 C ATOM 0 H VAL A 72 -4.408 5.226 -9.568 1.00 1.00 H new ATOM 0 HA VAL A 72 -1.619 5.864 -9.593 1.00 1.00 H new ATOM 0 HB VAL A 72 -3.473 4.785 -11.746 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -1.390 3.916 -12.806 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -1.382 5.694 -12.725 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -0.417 4.745 -11.569 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -2.525 2.572 -11.020 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -1.590 3.399 -9.751 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -3.368 3.379 -9.677 1.00 1.00 H new ATOM 1155 N LYS A 73 -3.686 7.668 -11.458 1.00 1.00 N ATOM 1156 CA LYS A 73 -3.831 8.925 -12.203 1.00 1.00 C ATOM 1157 C LYS A 73 -3.320 10.098 -11.364 1.00 1.00 C ATOM 1158 O LYS A 73 -2.661 11.005 -11.869 1.00 1.00 O ATOM 1159 CB LYS A 73 -5.328 9.150 -12.574 1.00 1.00 C ATOM 1160 CG LYS A 73 -5.503 10.277 -13.668 1.00 1.00 C ATOM 1161 CD LYS A 73 -5.345 9.711 -15.123 1.00 1.00 C ATOM 1162 CE LYS A 73 -6.674 9.104 -15.638 1.00 1.00 C ATOM 1163 NZ LYS A 73 -6.460 8.510 -16.989 1.00 1.00 N ATOM 0 H LYS A 73 -4.551 7.135 -11.365 1.00 1.00 H new ATOM 0 HA LYS A 73 -3.241 8.864 -13.117 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -5.754 8.217 -12.943 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -5.886 9.424 -11.679 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -6.486 10.736 -13.562 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -4.765 11.062 -13.502 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -5.023 10.508 -15.793 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -4.565 8.949 -15.137 1.00 1.00 H new ATOM 0 HE2 LYS A 73 -7.030 8.341 -14.946 1.00 1.00 H new ATOM 0 HE3 LYS A 73 -7.443 9.875 -15.686 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 -7.352 8.103 -17.334 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 -6.139 9.249 -17.646 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 -5.739 7.763 -16.930 1.00 1.00 H new ATOM 1177 N ARG A 74 -3.631 10.078 -10.071 1.00 1.00 N ATOM 1178 CA ARG A 74 -3.201 11.134 -9.156 1.00 1.00 C ATOM 1179 C ARG A 74 -1.670 11.129 -9.051 1.00 1.00 C ATOM 1180 O ARG A 74 -1.045 12.189 -8.999 1.00 1.00 O ATOM 1181 CB ARG A 74 -3.836 10.935 -7.756 1.00 1.00 C ATOM 1182 CG ARG A 74 -5.365 11.175 -7.814 1.00 1.00 C ATOM 1183 CD ARG A 74 -5.994 10.944 -6.428 1.00 1.00 C ATOM 1184 NE ARG A 74 -5.443 11.898 -5.463 1.00 1.00 N ATOM 1185 CZ ARG A 74 -5.770 11.867 -4.163 1.00 1.00 C ATOM 1186 NH1 ARG A 74 -6.626 10.986 -3.714 1.00 1.00 N ATOM 1187 NH2 ARG A 74 -5.232 12.726 -3.339 1.00 1.00 N ATOM 0 H ARG A 74 -4.181 9.340 -9.631 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.532 12.097 -9.546 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.634 9.925 -7.399 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -3.381 11.622 -7.043 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -5.568 12.192 -8.148 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -5.818 10.504 -8.543 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -7.076 11.058 -6.487 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -5.799 9.924 -6.096 1.00 1.00 H new ATOM 0 HE ARG A 74 -4.789 12.609 -5.791 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -7.051 10.315 -4.354 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -6.869 10.970 -2.723 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -4.566 13.417 -3.685 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -5.478 12.706 -2.349 1.00 1.00 H new ATOM 1201 N ARG A 75 -1.064 9.946 -9.032 1.00 1.00 N ATOM 1202 CA ARG A 75 0.406 9.831 -8.961 1.00 1.00 C ATOM 1203 C ARG A 75 0.998 10.410 -10.242 1.00 1.00 C ATOM 1204 O ARG A 75 2.006 11.116 -10.221 1.00 1.00 O ATOM 1205 CB ARG A 75 0.831 8.352 -8.773 1.00 1.00 C ATOM 1206 CG ARG A 75 2.373 8.237 -8.617 1.00 1.00 C ATOM 1207 CD ARG A 75 2.776 6.774 -8.357 1.00 1.00 C ATOM 1208 NE ARG A 75 4.235 6.669 -8.195 1.00 1.00 N ATOM 1209 CZ ARG A 75 5.084 6.803 -9.224 1.00 1.00 C ATOM 1210 NH1 ARG A 75 4.635 7.004 -10.436 1.00 1.00 N ATOM 1211 NH2 ARG A 75 6.370 6.720 -9.018 1.00 1.00 N ATOM 0 H ARG A 75 -1.556 9.053 -9.064 1.00 1.00 H new ATOM 0 HA ARG A 75 0.780 10.388 -8.102 1.00 1.00 H new ATOM 0 HB2 ARG A 75 0.340 7.937 -7.893 1.00 1.00 H new ATOM 0 HB3 ARG A 75 0.503 7.763 -9.629 1.00 1.00 H new ATOM 0 HG2 ARG A 75 2.865 8.602 -9.519 1.00 1.00 H new ATOM 0 HG3 ARG A 75 2.710 8.866 -7.793 1.00 1.00 H new ATOM 0 HD2 ARG A 75 2.276 6.405 -7.461 1.00 1.00 H new ATOM 0 HD3 ARG A 75 2.449 6.146 -9.186 1.00 1.00 H new ATOM 0 HE ARG A 75 4.614 6.488 -7.266 1.00 1.00 H new ATOM 0 HH11 ARG A 75 3.631 7.060 -10.605 1.00 1.00 H new ATOM 0 HH12 ARG A 75 5.289 7.105 -11.212 1.00 1.00 H new ATOM 0 HH21 ARG A 75 6.726 6.554 -8.077 1.00 1.00 H new ATOM 0 HH22 ARG A 75 7.019 6.821 -9.798 1.00 1.00 H new ATOM 1225 N GLN A 76 0.359 10.111 -11.369 1.00 1.00 N ATOM 1226 CA GLN A 76 0.794 10.617 -12.672 1.00 1.00 C ATOM 1227 C GLN A 76 0.598 12.137 -12.694 1.00 1.00 C ATOM 1228 O GLN A 76 1.406 12.880 -13.252 1.00 1.00 O ATOM 1229 CB GLN A 76 -0.025 9.943 -13.802 1.00 1.00 C ATOM 1230 CG GLN A 76 0.334 8.442 -13.899 1.00 1.00 C ATOM 1231 CD GLN A 76 -0.504 7.761 -14.985 1.00 1.00 C ATOM 1232 OE1 GLN A 76 -1.726 7.691 -14.868 1.00 1.00 O ATOM 1233 NE2 GLN A 76 0.086 7.259 -16.037 1.00 1.00 N ATOM 0 H GLN A 76 -0.469 9.516 -11.408 1.00 1.00 H new ATOM 0 HA GLN A 76 1.846 10.384 -12.834 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -1.091 10.058 -13.606 1.00 1.00 H new ATOM 0 HB3 GLN A 76 0.179 10.436 -14.753 1.00 1.00 H new ATOM 0 HG2 GLN A 76 1.394 8.329 -14.125 1.00 1.00 H new ATOM 0 HG3 GLN A 76 0.159 7.957 -12.939 1.00 1.00 H new ATOM 0 HE21 GLN A 76 1.100 7.319 -16.130 1.00 1.00 H new ATOM 0 HE22 GLN A 76 -0.467 6.807 -16.765 1.00 1.00 H new ATOM 1242 N GLU A 77 -0.482 12.591 -12.069 1.00 1.00 N ATOM 1243 CA GLU A 77 -0.778 14.034 -12.000 1.00 1.00 C ATOM 1244 C GLU A 77 0.313 14.721 -11.169 1.00 1.00 C ATOM 1245 O GLU A 77 0.905 15.717 -11.587 1.00 1.00 O ATOM 1246 CB GLU A 77 -2.174 14.253 -11.361 1.00 1.00 C ATOM 1247 CG GLU A 77 -2.634 15.739 -11.479 1.00 1.00 C ATOM 1248 CD GLU A 77 -2.961 16.123 -12.932 1.00 1.00 C ATOM 1249 OE1 GLU A 77 -2.979 15.245 -13.782 1.00 1.00 O ATOM 1250 OE2 GLU A 77 -3.200 17.296 -13.165 1.00 1.00 O ATOM 0 H GLU A 77 -1.167 11.995 -11.604 1.00 1.00 H new ATOM 0 HA GLU A 77 -0.791 14.464 -13.002 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -2.903 13.606 -11.849 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -2.143 13.964 -10.311 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -3.513 15.898 -10.855 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -1.850 16.393 -11.098 1.00 1.00 H new ATOM 1257 N LEU A 78 0.584 14.158 -9.997 1.00 1.00 N ATOM 1258 CA LEU A 78 1.615 14.676 -9.089 1.00 1.00 C ATOM 1259 C LEU A 78 2.985 14.585 -9.767 1.00 1.00 C ATOM 1260 O LEU A 78 3.811 15.490 -9.647 1.00 1.00 O ATOM 1261 CB LEU A 78 1.599 13.847 -7.771 1.00 1.00 C ATOM 1262 CG LEU A 78 0.303 14.125 -6.910 1.00 1.00 C ATOM 1263 CD1 LEU A 78 0.090 12.979 -5.885 1.00 1.00 C ATOM 1264 CD2 LEU A 78 0.424 15.471 -6.125 1.00 1.00 C ATOM 0 H LEU A 78 0.100 13.332 -9.645 1.00 1.00 H new ATOM 0 HA LEU A 78 1.414 15.721 -8.852 1.00 1.00 H new ATOM 0 HB2 LEU A 78 1.654 12.785 -8.010 1.00 1.00 H new ATOM 0 HB3 LEU A 78 2.484 14.087 -7.181 1.00 1.00 H new ATOM 0 HG LEU A 78 -0.542 14.184 -7.597 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -0.805 13.179 -5.296 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -0.028 12.034 -6.415 1.00 1.00 H new ATOM 0 HD13 LEU A 78 0.954 12.918 -5.223 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -0.482 15.635 -5.542 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.283 15.426 -5.455 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.556 16.292 -6.829 1.00 1.00 H new ATOM 1276 N ALA A 79 3.220 13.496 -10.491 1.00 1.00 N ATOM 1277 CA ALA A 79 4.496 13.298 -11.193 1.00 1.00 C ATOM 1278 C ALA A 79 4.742 14.451 -12.177 1.00 1.00 C ATOM 1279 O ALA A 79 5.842 14.996 -12.255 1.00 1.00 O ATOM 1280 CB ALA A 79 4.490 11.954 -11.928 1.00 1.00 C ATOM 0 H ALA A 79 2.550 12.736 -10.611 1.00 1.00 H new ATOM 0 HA ALA A 79 5.305 13.289 -10.462 1.00 1.00 H new ATOM 0 HB1 ALA A 79 5.440 11.818 -12.445 1.00 1.00 H new ATOM 0 HB2 ALA A 79 4.349 11.147 -11.209 1.00 1.00 H new ATOM 0 HB3 ALA A 79 3.677 11.940 -12.654 1.00 1.00 H new ATOM 1286 N ARG A 80 3.699 14.839 -12.904 1.00 1.00 N ATOM 1287 CA ARG A 80 3.777 15.950 -13.859 1.00 1.00 C ATOM 1288 C ARG A 80 3.909 17.262 -13.084 1.00 1.00 C ATOM 1289 O ARG A 80 4.623 18.177 -13.498 1.00 1.00 O ATOM 1290 CB ARG A 80 2.502 15.966 -14.747 1.00 1.00 C ATOM 1291 CG ARG A 80 2.508 14.762 -15.726 1.00 1.00 C ATOM 1292 CD ARG A 80 1.212 14.736 -16.558 1.00 1.00 C ATOM 1293 NE ARG A 80 1.233 13.596 -17.485 1.00 1.00 N ATOM 1294 CZ ARG A 80 0.197 13.316 -18.290 1.00 1.00 C ATOM 1295 NH1 ARG A 80 -0.879 14.060 -18.267 1.00 1.00 N ATOM 1296 NH2 ARG A 80 0.260 12.293 -19.100 1.00 1.00 N ATOM 0 H ARG A 80 2.780 14.399 -12.852 1.00 1.00 H new ATOM 0 HA ARG A 80 4.646 15.828 -14.506 1.00 1.00 H new ATOM 0 HB2 ARG A 80 1.613 15.927 -14.118 1.00 1.00 H new ATOM 0 HB3 ARG A 80 2.454 16.899 -15.309 1.00 1.00 H new ATOM 0 HG2 ARG A 80 3.371 14.829 -16.388 1.00 1.00 H new ATOM 0 HG3 ARG A 80 2.607 13.832 -15.167 1.00 1.00 H new ATOM 0 HD2 ARG A 80 0.348 14.663 -15.898 1.00 1.00 H new ATOM 0 HD3 ARG A 80 1.109 15.667 -17.116 1.00 1.00 H new ATOM 0 HE ARG A 80 2.060 13.000 -17.517 1.00 1.00 H new ATOM 0 HH11 ARG A 80 -0.934 14.858 -17.634 1.00 1.00 H new ATOM 0 HH12 ARG A 80 -1.663 13.842 -18.882 1.00 1.00 H new ATOM 0 HH21 ARG A 80 1.096 11.709 -19.120 1.00 1.00 H new ATOM 0 HH22 ARG A 80 -0.527 12.078 -19.713 1.00 1.00 H new ATOM 1310 N GLN A 81 3.214 17.354 -11.955 1.00 1.00 N ATOM 1311 CA GLN A 81 3.243 18.561 -11.115 1.00 1.00 C ATOM 1312 C GLN A 81 4.675 18.840 -10.634 1.00 1.00 C ATOM 1313 O GLN A 81 5.203 19.935 -10.831 1.00 1.00 O ATOM 1314 CB GLN A 81 2.273 18.369 -9.901 1.00 1.00 C ATOM 1315 CG GLN A 81 1.818 19.726 -9.303 1.00 1.00 C ATOM 1316 CD GLN A 81 3.013 20.500 -8.752 1.00 1.00 C ATOM 1317 OE1 GLN A 81 3.559 21.366 -9.434 1.00 1.00 O ATOM 1318 NE2 GLN A 81 3.460 20.225 -7.558 1.00 1.00 N ATOM 0 H GLN A 81 2.620 16.608 -11.594 1.00 1.00 H new ATOM 0 HA GLN A 81 2.913 19.420 -11.699 1.00 1.00 H new ATOM 0 HB2 GLN A 81 1.399 17.802 -10.221 1.00 1.00 H new ATOM 0 HB3 GLN A 81 2.769 17.781 -9.129 1.00 1.00 H new ATOM 0 HG2 GLN A 81 1.317 20.317 -10.070 1.00 1.00 H new ATOM 0 HG3 GLN A 81 1.092 19.554 -8.508 1.00 1.00 H new ATOM 0 HE21 GLN A 81 3.004 19.506 -6.996 1.00 1.00 H new ATOM 0 HE22 GLN A 81 4.265 20.729 -7.186 1.00 1.00 H new ATOM 1327 N CYS A 82 5.303 17.847 -10.012 1.00 1.00 N ATOM 1328 CA CYS A 82 6.671 17.989 -9.509 1.00 1.00 C ATOM 1329 C CYS A 82 7.650 18.144 -10.666 1.00 1.00 C ATOM 1330 O CYS A 82 8.746 18.677 -10.501 1.00 1.00 O ATOM 1331 CB CYS A 82 7.051 16.759 -8.658 1.00 1.00 C ATOM 1332 SG CYS A 82 7.103 15.270 -9.685 1.00 1.00 S ATOM 0 H CYS A 82 4.887 16.931 -9.842 1.00 1.00 H new ATOM 0 HA CYS A 82 6.722 18.883 -8.887 1.00 1.00 H new ATOM 0 HB2 CYS A 82 8.022 16.919 -8.190 1.00 1.00 H new ATOM 0 HB3 CYS A 82 6.327 16.628 -7.854 1.00 1.00 H new ATOM 0 HG CYS A 82 6.544 15.515 -10.833 1.00 1.00 H new