USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 714 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 22 CYS SG : rot -66:sc= 0.538 USER MOD Set 1.2: A 78 MET CE :methyl 171:sc= -0.0137 (180deg=-0.118) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 34:sc= 0.353 USER MOD Single : A 23 SER OG : rot 33:sc= 0.198 USER MOD Single : A 28 GLN : amide:sc= -0.0883 K(o=-0.088,f=-0.59) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -116:sc= 0.0155 USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= 0.669 (180deg=-2.19) USER MOD Single : A 37 GLN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.035 K(o=-0.035,f=-1.4!) USER MOD Single : A 41 GLN : amide:sc= 0.555 K(o=0.55,f=-3.7!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 54 SER OG : rot 124:sc= 0.293 USER MOD Single : A 63 SER OG : rot -73:sc= 0.586 USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0.319 (180deg=0.244) USER MOD Single : A 72 LYS NZ :NH3+ 141:sc= 0.0602 (180deg=-0.409) USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= 1.21 (180deg=0.743) USER MOD Single : A 77 THR OG1 : rot 41:sc= 0.336 USER MOD Single : A 80 HIS : no HD1:sc= -0.0335 X(o=-0.033,f=-0.033) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -40:sc= -1.54 USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 90 ASN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 93 MET CE :methyl -149:sc= -0.436 (180deg=-2.68!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 11.337 -3.760 3.173 1.00 0.00 N ATOM 84 CA PHE A 11 10.976 -3.144 1.876 1.00 0.00 C ATOM 85 C PHE A 11 9.446 -3.180 1.640 1.00 0.00 C ATOM 86 O PHE A 11 8.964 -3.586 0.574 1.00 0.00 O ATOM 87 CB PHE A 11 11.792 -3.785 0.695 1.00 0.00 C ATOM 88 CG PHE A 11 12.021 -5.304 0.783 1.00 0.00 C ATOM 89 CD1 PHE A 11 10.954 -6.199 0.893 1.00 0.00 C ATOM 90 CD2 PHE A 11 13.315 -5.833 0.737 1.00 0.00 C ATOM 91 CE1 PHE A 11 11.175 -7.562 0.960 1.00 0.00 C ATOM 92 CE2 PHE A 11 13.528 -7.196 0.805 1.00 0.00 C ATOM 93 CZ PHE A 11 12.459 -8.060 0.914 1.00 0.00 C ATOM 0 HA PHE A 11 11.256 -2.091 1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.273 -3.569 -0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.763 -3.293 0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.943 -5.821 0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 11 14.160 -5.166 0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.338 -8.239 1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 11 14.535 -7.586 0.773 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.628 -9.126 0.963 1.00 0.00 H new ATOM 103 N VAL A 12 8.695 -2.732 2.661 1.00 0.00 N ATOM 104 CA VAL A 12 7.230 -2.543 2.595 1.00 0.00 C ATOM 105 C VAL A 12 6.920 -1.072 2.948 1.00 0.00 C ATOM 106 O VAL A 12 7.591 -0.488 3.804 1.00 0.00 O ATOM 107 CB VAL A 12 6.468 -3.503 3.599 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.927 -3.355 3.467 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.918 -4.981 3.425 1.00 0.00 C ATOM 0 H VAL A 12 9.091 -2.487 3.569 1.00 0.00 H new ATOM 0 HA VAL A 12 6.887 -2.786 1.589 1.00 0.00 H new ATOM 0 HB VAL A 12 6.738 -3.199 4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.435 -4.028 4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.640 -2.327 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.623 -3.607 2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.375 -5.612 4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.706 -5.308 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.988 -5.061 3.617 1.00 0.00 H new ATOM 119 N VAL A 13 5.972 -0.437 2.242 1.00 0.00 N ATOM 120 CA VAL A 13 5.433 0.886 2.634 1.00 0.00 C ATOM 121 C VAL A 13 3.938 0.794 2.968 1.00 0.00 C ATOM 122 O VAL A 13 3.288 -0.217 2.681 1.00 0.00 O ATOM 123 CB VAL A 13 5.679 1.969 1.512 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.192 2.188 1.276 1.00 0.00 C ATOM 125 CG2 VAL A 13 4.947 1.619 0.188 1.00 0.00 C ATOM 0 H VAL A 13 5.557 -0.816 1.391 1.00 0.00 H new ATOM 0 HA VAL A 13 5.970 1.201 3.529 1.00 0.00 H new ATOM 0 HB VAL A 13 5.252 2.906 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.334 2.939 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.659 2.530 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.651 1.250 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.146 2.393 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.306 0.659 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.874 1.559 0.370 1.00 0.00 H new ATOM 135 N LYS A 14 3.405 1.868 3.574 1.00 0.00 N ATOM 136 CA LYS A 14 1.990 1.982 3.955 1.00 0.00 C ATOM 137 C LYS A 14 1.391 3.176 3.211 1.00 0.00 C ATOM 138 O LYS A 14 1.882 4.286 3.335 1.00 0.00 O ATOM 139 CB LYS A 14 1.839 2.167 5.490 1.00 0.00 C ATOM 140 CG LYS A 14 0.383 2.387 5.973 1.00 0.00 C ATOM 141 CD LYS A 14 0.270 2.504 7.510 1.00 0.00 C ATOM 142 CE LYS A 14 0.690 1.211 8.240 1.00 0.00 C ATOM 143 NZ LYS A 14 0.581 1.331 9.712 1.00 0.00 N ATOM 0 H LYS A 14 3.954 2.693 3.816 1.00 0.00 H new ATOM 0 HA LYS A 14 1.463 1.067 3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.245 1.288 5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.444 3.019 5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.013 3.293 5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.237 1.559 5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.894 3.329 7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.758 2.749 7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.066 0.385 7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.718 0.965 7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.874 0.437 10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.197 2.101 10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.404 1.539 9.971 1.00 0.00 H new ATOM 157 N VAL A 15 0.324 2.944 2.446 1.00 0.00 N ATOM 158 CA VAL A 15 -0.239 3.940 1.523 1.00 0.00 C ATOM 159 C VAL A 15 -1.646 4.336 2.007 1.00 0.00 C ATOM 160 O VAL A 15 -2.538 3.498 2.047 1.00 0.00 O ATOM 161 CB VAL A 15 -0.288 3.350 0.065 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.707 4.410 -0.978 1.00 0.00 C ATOM 163 CG2 VAL A 15 1.070 2.716 -0.308 1.00 0.00 C ATOM 0 H VAL A 15 -0.179 2.057 2.446 1.00 0.00 H new ATOM 0 HA VAL A 15 0.390 4.830 1.505 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.052 2.573 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.727 3.957 -1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.699 4.790 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.009 5.232 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.018 2.313 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.851 3.475 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.301 1.912 0.391 1.00 0.00 H new ATOM 173 N ARG A 16 -1.827 5.624 2.320 1.00 0.00 N ATOM 174 CA ARG A 16 -3.052 6.172 2.952 1.00 0.00 C ATOM 175 C ARG A 16 -3.595 7.308 2.082 1.00 0.00 C ATOM 176 O ARG A 16 -2.820 8.005 1.434 1.00 0.00 O ATOM 177 CB ARG A 16 -2.764 6.696 4.400 1.00 0.00 C ATOM 178 CG ARG A 16 -4.034 7.181 5.152 1.00 0.00 C ATOM 179 CD ARG A 16 -3.783 7.572 6.616 1.00 0.00 C ATOM 180 NE ARG A 16 -2.997 8.812 6.779 1.00 0.00 N ATOM 181 CZ ARG A 16 -2.358 9.160 7.911 1.00 0.00 C ATOM 182 NH1 ARG A 16 -2.249 8.301 8.922 1.00 0.00 N ATOM 183 NH2 ARG A 16 -1.781 10.348 8.005 1.00 0.00 N ATOM 0 H ARG A 16 -1.118 6.335 2.141 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.791 5.374 3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.292 5.901 4.977 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.049 7.517 4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.451 8.039 4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.785 6.392 5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.742 7.693 7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.262 6.755 7.116 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.935 9.445 5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.652 7.367 8.844 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.762 8.576 9.775 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.821 10.998 7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.296 10.613 8.862 1.00 0.00 H new ATOM 197 N GLY A 17 -4.924 7.499 2.090 1.00 0.00 N ATOM 198 CA GLY A 17 -5.580 8.507 1.251 1.00 0.00 C ATOM 199 C GLY A 17 -6.034 7.931 -0.079 1.00 0.00 C ATOM 200 O GLY A 17 -6.406 8.678 -0.993 1.00 0.00 O ATOM 0 H GLY A 17 -5.566 6.963 2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.440 8.916 1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.892 9.334 1.072 1.00 0.00 H new ATOM 204 N LEU A 18 -6.024 6.587 -0.173 1.00 0.00 N ATOM 205 CA LEU A 18 -6.418 5.863 -1.387 1.00 0.00 C ATOM 206 C LEU A 18 -7.941 5.940 -1.575 1.00 0.00 C ATOM 207 O LEU A 18 -8.685 5.791 -0.593 1.00 0.00 O ATOM 208 CB LEU A 18 -5.959 4.379 -1.321 1.00 0.00 C ATOM 209 CG LEU A 18 -4.429 4.133 -1.483 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.083 2.643 -1.273 1.00 0.00 C ATOM 211 CD2 LEU A 18 -3.930 4.654 -2.860 1.00 0.00 C ATOM 0 H LEU A 18 -5.742 5.977 0.594 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.930 6.333 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.275 3.963 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.481 3.822 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.907 4.697 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.009 2.499 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.382 2.338 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.614 2.039 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.859 4.472 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.456 4.132 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.124 5.724 -2.936 1.00 0.00 H new ATOM 223 N PRO A 19 -8.434 6.206 -2.825 1.00 0.00 N ATOM 224 CA PRO A 19 -9.871 6.165 -3.119 1.00 0.00 C ATOM 225 C PRO A 19 -10.400 4.714 -3.057 1.00 0.00 C ATOM 226 O PRO A 19 -9.784 3.785 -3.581 1.00 0.00 O ATOM 227 CB PRO A 19 -9.989 6.782 -4.539 1.00 0.00 C ATOM 228 CG PRO A 19 -8.644 6.569 -5.169 1.00 0.00 C ATOM 229 CD PRO A 19 -7.630 6.565 -4.035 1.00 0.00 C ATOM 0 HA PRO A 19 -10.473 6.716 -2.396 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.776 6.297 -5.116 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.238 7.842 -4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.617 5.627 -5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.422 7.360 -5.885 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.835 5.841 -4.214 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.154 7.539 -3.923 1.00 0.00 H new ATOM 237 N TRP A 20 -11.532 4.556 -2.382 1.00 0.00 N ATOM 238 CA TRP A 20 -12.262 3.284 -2.261 1.00 0.00 C ATOM 239 C TRP A 20 -12.653 2.727 -3.655 1.00 0.00 C ATOM 240 O TRP A 20 -12.730 1.509 -3.851 1.00 0.00 O ATOM 241 CB TRP A 20 -13.514 3.498 -1.366 1.00 0.00 C ATOM 242 CG TRP A 20 -14.461 4.578 -1.861 1.00 0.00 C ATOM 243 CD1 TRP A 20 -15.581 4.402 -2.619 1.00 0.00 C ATOM 244 CD2 TRP A 20 -14.352 5.996 -1.635 1.00 0.00 C ATOM 245 NE1 TRP A 20 -16.169 5.609 -2.882 1.00 0.00 N ATOM 246 CE2 TRP A 20 -15.439 6.601 -2.287 1.00 0.00 C ATOM 247 CE3 TRP A 20 -13.451 6.809 -0.937 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -15.636 7.984 -2.278 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -13.646 8.174 -0.930 1.00 0.00 C ATOM 250 CH2 TRP A 20 -14.734 8.748 -1.591 1.00 0.00 C ATOM 0 H TRP A 20 -11.986 5.324 -1.888 1.00 0.00 H new ATOM 0 HA TRP A 20 -11.614 2.542 -1.794 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -14.060 2.557 -1.295 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -13.186 3.753 -0.358 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -15.951 3.447 -2.962 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -17.016 5.747 -3.433 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -12.615 6.373 -0.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -16.471 8.434 -2.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -12.947 8.809 -0.406 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -14.866 9.819 -1.559 1.00 0.00 H new ATOM 261 N SER A 21 -12.859 3.652 -4.614 1.00 0.00 N ATOM 262 CA SER A 21 -13.249 3.333 -5.998 1.00 0.00 C ATOM 263 C SER A 21 -12.039 2.932 -6.879 1.00 0.00 C ATOM 264 O SER A 21 -12.197 2.777 -8.093 1.00 0.00 O ATOM 265 CB SER A 21 -13.976 4.553 -6.608 1.00 0.00 C ATOM 266 OG SER A 21 -15.135 4.887 -5.863 1.00 0.00 O ATOM 0 H SER A 21 -12.757 4.653 -4.445 1.00 0.00 H new ATOM 0 HA SER A 21 -13.914 2.470 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.299 5.407 -6.634 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.254 4.335 -7.639 1.00 0.00 H new ATOM 0 HG SER A 21 -14.981 4.695 -4.915 1.00 0.00 H new ATOM 272 N CYS A 22 -10.841 2.752 -6.277 1.00 0.00 N ATOM 273 CA CYS A 22 -9.643 2.277 -6.997 1.00 0.00 C ATOM 274 C CYS A 22 -9.265 0.900 -6.462 1.00 0.00 C ATOM 275 O CYS A 22 -9.390 0.651 -5.256 1.00 0.00 O ATOM 276 CB CYS A 22 -8.449 3.250 -6.819 1.00 0.00 C ATOM 277 SG CYS A 22 -7.589 3.156 -5.226 1.00 0.00 S ATOM 0 H CYS A 22 -10.681 2.931 -5.286 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.873 2.225 -8.061 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -7.727 3.059 -7.613 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.811 4.269 -6.956 1.00 0.00 H new ATOM 0 HG CYS A 22 -8.389 3.543 -4.277 1.00 0.00 H new ATOM 283 N SER A 23 -8.818 0.013 -7.353 1.00 0.00 N ATOM 284 CA SER A 23 -8.386 -1.350 -7.001 1.00 0.00 C ATOM 285 C SER A 23 -6.841 -1.444 -7.113 1.00 0.00 C ATOM 286 O SER A 23 -6.156 -0.417 -7.255 1.00 0.00 O ATOM 287 CB SER A 23 -9.118 -2.369 -7.927 1.00 0.00 C ATOM 288 OG SER A 23 -8.886 -3.717 -7.537 1.00 0.00 O ATOM 0 H SER A 23 -8.743 0.218 -8.349 1.00 0.00 H new ATOM 0 HA SER A 23 -8.651 -1.591 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.189 -2.168 -7.910 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.783 -2.228 -8.955 1.00 0.00 H new ATOM 0 HG SER A 23 -8.789 -3.764 -6.563 1.00 0.00 H new ATOM 294 N ALA A 24 -6.307 -2.681 -7.024 1.00 0.00 N ATOM 295 CA ALA A 24 -4.857 -2.969 -7.052 1.00 0.00 C ATOM 296 C ALA A 24 -4.136 -2.374 -8.285 1.00 0.00 C ATOM 297 O ALA A 24 -3.051 -1.808 -8.147 1.00 0.00 O ATOM 298 CB ALA A 24 -4.625 -4.484 -6.981 1.00 0.00 C ATOM 0 H ALA A 24 -6.880 -3.520 -6.929 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.423 -2.482 -6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.555 -4.690 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.051 -4.874 -6.057 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.104 -4.966 -7.834 1.00 0.00 H new ATOM 304 N ASP A 25 -4.756 -2.504 -9.474 1.00 0.00 N ATOM 305 CA ASP A 25 -4.179 -2.011 -10.754 1.00 0.00 C ATOM 306 C ASP A 25 -3.949 -0.490 -10.729 1.00 0.00 C ATOM 307 O ASP A 25 -2.949 0.004 -11.248 1.00 0.00 O ATOM 308 CB ASP A 25 -5.111 -2.391 -11.929 1.00 0.00 C ATOM 309 CG ASP A 25 -4.591 -1.934 -13.310 1.00 0.00 C ATOM 310 OD1 ASP A 25 -3.651 -2.563 -13.835 1.00 0.00 O ATOM 311 OD2 ASP A 25 -5.106 -0.938 -13.865 1.00 0.00 O ATOM 0 H ASP A 25 -5.667 -2.951 -9.581 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.208 -2.487 -10.889 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.243 -3.473 -11.941 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.094 -1.952 -11.758 1.00 0.00 H new ATOM 316 N GLU A 26 -4.884 0.230 -10.107 1.00 0.00 N ATOM 317 CA GLU A 26 -4.849 1.698 -10.000 1.00 0.00 C ATOM 318 C GLU A 26 -3.719 2.156 -9.052 1.00 0.00 C ATOM 319 O GLU A 26 -3.066 3.178 -9.302 1.00 0.00 O ATOM 320 CB GLU A 26 -6.221 2.228 -9.509 1.00 0.00 C ATOM 321 CG GLU A 26 -7.387 2.128 -10.527 1.00 0.00 C ATOM 322 CD GLU A 26 -7.724 0.709 -11.033 1.00 0.00 C ATOM 323 OE1 GLU A 26 -7.901 -0.204 -10.206 1.00 0.00 O ATOM 324 OE2 GLU A 26 -7.838 0.508 -12.263 1.00 0.00 O ATOM 0 H GLU A 26 -5.697 -0.190 -9.657 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.645 2.111 -10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.501 1.679 -8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.104 3.273 -9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.281 2.550 -10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.146 2.751 -11.388 1.00 0.00 H new ATOM 331 N VAL A 27 -3.502 1.398 -7.971 1.00 0.00 N ATOM 332 CA VAL A 27 -2.425 1.669 -6.994 1.00 0.00 C ATOM 333 C VAL A 27 -1.045 1.320 -7.593 1.00 0.00 C ATOM 334 O VAL A 27 -0.052 2.016 -7.342 1.00 0.00 O ATOM 335 CB VAL A 27 -2.670 0.888 -5.653 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.538 1.133 -4.612 1.00 0.00 C ATOM 337 CG2 VAL A 27 -4.051 1.264 -5.070 1.00 0.00 C ATOM 0 H VAL A 27 -4.064 0.578 -7.743 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.436 2.735 -6.765 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.657 -0.178 -5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.753 0.572 -3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.585 0.803 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.483 2.196 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.214 0.719 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.083 2.336 -4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.831 1.003 -5.785 1.00 0.00 H new ATOM 347 N GLN A 28 -1.009 0.248 -8.415 1.00 0.00 N ATOM 348 CA GLN A 28 0.215 -0.180 -9.121 1.00 0.00 C ATOM 349 C GLN A 28 0.604 0.888 -10.162 1.00 0.00 C ATOM 350 O GLN A 28 1.781 1.191 -10.356 1.00 0.00 O ATOM 351 CB GLN A 28 0.009 -1.567 -9.803 1.00 0.00 C ATOM 352 CG GLN A 28 1.322 -2.277 -10.221 1.00 0.00 C ATOM 353 CD GLN A 28 1.124 -3.515 -11.101 1.00 0.00 C ATOM 354 OE1 GLN A 28 0.185 -3.584 -11.894 1.00 0.00 O ATOM 355 NE2 GLN A 28 2.000 -4.502 -10.968 1.00 0.00 N ATOM 0 H GLN A 28 -1.821 -0.339 -8.605 1.00 0.00 H new ATOM 0 HA GLN A 28 1.023 -0.286 -8.397 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.539 -2.216 -9.120 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.615 -1.434 -10.687 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.951 -1.565 -10.755 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.864 -2.569 -9.322 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.768 -4.416 -10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.906 -5.347 -11.531 1.00 0.00 H new ATOM 364 N ARG A 29 -0.430 1.434 -10.827 1.00 0.00 N ATOM 365 CA ARG A 29 -0.320 2.551 -11.772 1.00 0.00 C ATOM 366 C ARG A 29 0.231 3.814 -11.079 1.00 0.00 C ATOM 367 O ARG A 29 1.028 4.544 -11.666 1.00 0.00 O ATOM 368 CB ARG A 29 -1.718 2.824 -12.390 1.00 0.00 C ATOM 369 CG ARG A 29 -1.741 3.803 -13.582 1.00 0.00 C ATOM 370 CD ARG A 29 -3.163 4.016 -14.122 1.00 0.00 C ATOM 371 NE ARG A 29 -3.198 4.752 -15.399 1.00 0.00 N ATOM 372 CZ ARG A 29 -4.156 4.615 -16.337 1.00 0.00 C ATOM 373 NH1 ARG A 29 -5.144 3.734 -16.182 1.00 0.00 N ATOM 374 NH2 ARG A 29 -4.111 5.354 -17.431 1.00 0.00 N ATOM 0 H ARG A 29 -1.387 1.100 -10.717 1.00 0.00 H new ATOM 0 HA ARG A 29 0.382 2.286 -12.562 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.143 1.874 -12.715 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.370 3.215 -11.609 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.323 4.761 -13.273 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.104 3.419 -14.379 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.642 3.046 -14.256 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.748 4.561 -13.381 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.443 5.412 -15.586 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.182 3.152 -15.345 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.862 3.641 -16.900 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.354 6.024 -17.563 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.834 5.254 -18.144 1.00 0.00 H new ATOM 388 N PHE A 30 -0.206 4.067 -9.821 1.00 0.00 N ATOM 389 CA PHE A 30 0.307 5.196 -9.012 1.00 0.00 C ATOM 390 C PHE A 30 1.809 5.016 -8.734 1.00 0.00 C ATOM 391 O PHE A 30 2.582 5.966 -8.834 1.00 0.00 O ATOM 392 CB PHE A 30 -0.491 5.348 -7.683 1.00 0.00 C ATOM 393 CG PHE A 30 -0.030 6.508 -6.781 1.00 0.00 C ATOM 394 CD1 PHE A 30 -0.077 7.828 -7.235 1.00 0.00 C ATOM 395 CD2 PHE A 30 0.459 6.278 -5.494 1.00 0.00 C ATOM 396 CE1 PHE A 30 0.345 8.872 -6.431 1.00 0.00 C ATOM 397 CE2 PHE A 30 0.884 7.323 -4.692 1.00 0.00 C ATOM 398 CZ PHE A 30 0.825 8.620 -5.162 1.00 0.00 C ATOM 0 H PHE A 30 -0.912 3.504 -9.347 1.00 0.00 H new ATOM 0 HA PHE A 30 0.169 6.113 -9.584 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.545 5.490 -7.923 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.414 4.417 -7.121 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.448 8.037 -8.228 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.507 5.267 -5.117 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.299 9.887 -6.798 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.261 7.124 -3.700 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.154 9.437 -4.537 1.00 0.00 H new ATOM 408 N PHE A 31 2.216 3.779 -8.412 1.00 0.00 N ATOM 409 CA PHE A 31 3.631 3.437 -8.163 1.00 0.00 C ATOM 410 C PHE A 31 4.301 2.885 -9.436 1.00 0.00 C ATOM 411 O PHE A 31 5.224 2.064 -9.352 1.00 0.00 O ATOM 412 CB PHE A 31 3.728 2.428 -6.987 1.00 0.00 C ATOM 413 CG PHE A 31 3.348 3.031 -5.632 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.250 3.848 -4.944 1.00 0.00 C ATOM 415 CD2 PHE A 31 2.105 2.788 -5.046 1.00 0.00 C ATOM 416 CE1 PHE A 31 3.918 4.403 -3.722 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.778 3.344 -3.825 1.00 0.00 C ATOM 418 CZ PHE A 31 2.685 4.151 -3.163 1.00 0.00 C ATOM 0 H PHE A 31 1.579 2.988 -8.316 1.00 0.00 H new ATOM 0 HA PHE A 31 4.169 4.344 -7.886 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.077 1.578 -7.193 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.746 2.043 -6.932 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.220 4.049 -5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.390 2.157 -5.554 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.626 5.034 -3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.811 3.148 -3.386 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.426 4.584 -2.208 1.00 0.00 H new ATOM 428 N SER A 32 3.864 3.382 -10.621 1.00 0.00 N ATOM 429 CA SER A 32 4.484 3.033 -11.910 1.00 0.00 C ATOM 430 C SER A 32 5.792 3.826 -12.030 1.00 0.00 C ATOM 431 O SER A 32 5.828 4.935 -12.579 1.00 0.00 O ATOM 432 CB SER A 32 3.515 3.338 -13.078 1.00 0.00 C ATOM 433 OG SER A 32 4.063 2.974 -14.328 1.00 0.00 O ATOM 0 H SER A 32 3.080 4.029 -10.702 1.00 0.00 H new ATOM 0 HA SER A 32 4.702 1.966 -11.958 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.579 2.802 -12.922 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.276 4.401 -13.083 1.00 0.00 H new ATOM 0 HG SER A 32 3.421 3.181 -15.039 1.00 0.00 H new ATOM 439 N ASP A 33 6.851 3.210 -11.493 1.00 0.00 N ATOM 440 CA ASP A 33 8.105 3.871 -11.083 1.00 0.00 C ATOM 441 C ASP A 33 8.891 2.858 -10.244 1.00 0.00 C ATOM 442 O ASP A 33 10.048 2.545 -10.520 1.00 0.00 O ATOM 443 CB ASP A 33 7.818 5.152 -10.234 1.00 0.00 C ATOM 444 CG ASP A 33 9.077 5.863 -9.734 1.00 0.00 C ATOM 445 OD1 ASP A 33 9.663 6.654 -10.504 1.00 0.00 O ATOM 446 OD2 ASP A 33 9.489 5.639 -8.573 1.00 0.00 O ATOM 0 H ASP A 33 6.864 2.204 -11.324 1.00 0.00 H new ATOM 0 HA ASP A 33 8.668 4.184 -11.962 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.234 5.849 -10.834 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.204 4.877 -9.377 1.00 0.00 H new ATOM 451 N CYS A 34 8.195 2.387 -9.201 1.00 0.00 N ATOM 452 CA CYS A 34 8.653 1.335 -8.289 1.00 0.00 C ATOM 453 C CYS A 34 8.382 -0.058 -8.904 1.00 0.00 C ATOM 454 O CYS A 34 7.677 -0.181 -9.916 1.00 0.00 O ATOM 455 CB CYS A 34 7.938 1.511 -6.929 1.00 0.00 C ATOM 456 SG CYS A 34 8.140 3.162 -6.217 1.00 0.00 S ATOM 0 H CYS A 34 7.268 2.740 -8.963 1.00 0.00 H new ATOM 0 HA CYS A 34 9.728 1.413 -8.130 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.875 1.307 -7.057 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.323 0.771 -6.227 1.00 0.00 H new ATOM 0 HG CYS A 34 8.803 3.076 -5.102 1.00 0.00 H new ATOM 462 N LYS A 35 8.904 -1.111 -8.257 1.00 0.00 N ATOM 463 CA LYS A 35 8.855 -2.497 -8.764 1.00 0.00 C ATOM 464 C LYS A 35 8.167 -3.342 -7.690 1.00 0.00 C ATOM 465 O LYS A 35 8.816 -4.081 -6.937 1.00 0.00 O ATOM 466 CB LYS A 35 10.294 -3.014 -9.071 1.00 0.00 C ATOM 467 CG LYS A 35 11.075 -2.216 -10.146 1.00 0.00 C ATOM 468 CD LYS A 35 12.622 -2.189 -9.943 1.00 0.00 C ATOM 469 CE LYS A 35 13.297 -3.575 -9.869 1.00 0.00 C ATOM 470 NZ LYS A 35 13.074 -4.254 -8.569 1.00 0.00 N ATOM 0 H LYS A 35 9.378 -1.027 -7.358 1.00 0.00 H new ATOM 0 HA LYS A 35 8.297 -2.557 -9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.870 -3.003 -8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.227 -4.053 -9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.858 -2.643 -11.125 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.706 -1.190 -10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.071 -1.627 -10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.843 -1.645 -9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.914 -4.204 -10.673 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.368 -3.462 -10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.920 -4.802 -8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.888 -3.543 -7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.257 -4.893 -8.647 1.00 0.00 H new ATOM 484 N ILE A 36 6.849 -3.143 -7.585 1.00 0.00 N ATOM 485 CA ILE A 36 6.016 -3.732 -6.529 1.00 0.00 C ATOM 486 C ILE A 36 6.161 -5.264 -6.530 1.00 0.00 C ATOM 487 O ILE A 36 6.017 -5.895 -7.586 1.00 0.00 O ATOM 488 CB ILE A 36 4.508 -3.329 -6.704 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.366 -1.772 -6.773 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.617 -3.923 -5.582 1.00 0.00 C ATOM 491 CD1 ILE A 36 2.938 -1.258 -6.910 1.00 0.00 C ATOM 0 H ILE A 36 6.324 -2.562 -8.238 1.00 0.00 H new ATOM 0 HA ILE A 36 6.360 -3.343 -5.571 1.00 0.00 H new ATOM 0 HB ILE A 36 4.157 -3.752 -7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.805 -1.343 -5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.950 -1.407 -7.618 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.582 -3.620 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.684 -5.011 -5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.958 -3.556 -4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.946 -0.169 -6.949 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.496 -1.651 -7.826 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.349 -1.586 -6.053 1.00 0.00 H new ATOM 503 N GLN A 37 6.496 -5.820 -5.344 1.00 0.00 N ATOM 504 CA GLN A 37 6.652 -7.270 -5.131 1.00 0.00 C ATOM 505 C GLN A 37 5.458 -8.049 -5.692 1.00 0.00 C ATOM 506 O GLN A 37 4.319 -7.822 -5.279 1.00 0.00 O ATOM 507 CB GLN A 37 6.824 -7.600 -3.619 1.00 0.00 C ATOM 508 CG GLN A 37 6.646 -9.102 -3.239 1.00 0.00 C ATOM 509 CD GLN A 37 7.006 -9.402 -1.784 1.00 0.00 C ATOM 510 OE1 GLN A 37 8.163 -9.665 -1.464 1.00 0.00 O ATOM 511 NE2 GLN A 37 6.025 -9.375 -0.895 1.00 0.00 N ATOM 0 H GLN A 37 6.666 -5.268 -4.504 1.00 0.00 H new ATOM 0 HA GLN A 37 7.551 -7.576 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.817 -7.278 -3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.103 -7.011 -3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.612 -9.395 -3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.268 -9.712 -3.894 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.074 -9.153 -1.191 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.220 -9.576 0.086 1.00 0.00 H new ATOM 520 N ASN A 38 5.751 -8.909 -6.680 1.00 0.00 N ATOM 521 CA ASN A 38 4.799 -9.893 -7.221 1.00 0.00 C ATOM 522 C ASN A 38 3.541 -9.211 -7.834 1.00 0.00 C ATOM 523 O ASN A 38 2.456 -9.806 -7.895 1.00 0.00 O ATOM 524 CB ASN A 38 4.457 -10.898 -6.077 1.00 0.00 C ATOM 525 CG ASN A 38 4.048 -12.278 -6.554 1.00 0.00 C ATOM 526 OD1 ASN A 38 4.432 -12.719 -7.642 1.00 0.00 O ATOM 527 ND2 ASN A 38 3.302 -12.985 -5.736 1.00 0.00 N ATOM 0 H ASN A 38 6.665 -8.941 -7.131 1.00 0.00 H new ATOM 0 HA ASN A 38 5.247 -10.437 -8.053 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.325 -10.995 -5.425 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.650 -10.482 -5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.021 -13.932 -5.992 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.004 -12.587 -4.845 1.00 0.00 H new ATOM 534 N GLY A 39 3.725 -7.953 -8.282 1.00 0.00 N ATOM 535 CA GLY A 39 2.663 -7.159 -8.904 1.00 0.00 C ATOM 536 C GLY A 39 1.549 -6.782 -7.928 1.00 0.00 C ATOM 537 O GLY A 39 1.832 -6.343 -6.812 1.00 0.00 O ATOM 0 H GLY A 39 4.618 -7.464 -8.220 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.095 -6.250 -9.323 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.236 -7.721 -9.735 1.00 0.00 H new ATOM 541 N ALA A 40 0.288 -6.952 -8.374 1.00 0.00 N ATOM 542 CA ALA A 40 -0.931 -6.781 -7.543 1.00 0.00 C ATOM 543 C ALA A 40 -0.903 -7.599 -6.229 1.00 0.00 C ATOM 544 O ALA A 40 -1.591 -7.250 -5.263 1.00 0.00 O ATOM 545 CB ALA A 40 -2.177 -7.153 -8.368 1.00 0.00 C ATOM 0 H ALA A 40 0.080 -7.216 -9.337 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.966 -5.731 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.070 -7.027 -7.756 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.242 -6.505 -9.242 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.103 -8.191 -8.691 1.00 0.00 H new ATOM 551 N GLN A 41 -0.106 -8.691 -6.203 1.00 0.00 N ATOM 552 CA GLN A 41 0.001 -9.567 -5.022 1.00 0.00 C ATOM 553 C GLN A 41 0.788 -8.908 -3.873 1.00 0.00 C ATOM 554 O GLN A 41 0.704 -9.367 -2.732 1.00 0.00 O ATOM 555 CB GLN A 41 0.609 -10.947 -5.392 1.00 0.00 C ATOM 556 CG GLN A 41 -0.242 -11.785 -6.377 1.00 0.00 C ATOM 557 CD GLN A 41 -1.680 -12.054 -5.893 1.00 0.00 C ATOM 558 OE1 GLN A 41 -1.954 -12.082 -4.696 1.00 0.00 O ATOM 559 NE2 GLN A 41 -2.606 -12.287 -6.812 1.00 0.00 N ATOM 0 H GLN A 41 0.472 -8.984 -6.990 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.015 -9.730 -4.663 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.595 -10.789 -5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.753 -11.522 -4.477 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.283 -11.268 -7.336 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.256 -12.739 -6.550 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.361 -12.260 -7.802 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.564 -12.494 -6.530 1.00 0.00 H new ATOM 568 N GLY A 42 1.547 -7.843 -4.170 1.00 0.00 N ATOM 569 CA GLY A 42 2.184 -7.019 -3.132 1.00 0.00 C ATOM 570 C GLY A 42 1.392 -5.753 -2.826 1.00 0.00 C ATOM 571 O GLY A 42 1.950 -4.775 -2.337 1.00 0.00 O ATOM 0 H GLY A 42 1.735 -7.532 -5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.290 -7.607 -2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.189 -6.746 -3.455 1.00 0.00 H new ATOM 575 N ILE A 43 0.071 -5.779 -3.102 1.00 0.00 N ATOM 576 CA ILE A 43 -0.845 -4.647 -2.835 1.00 0.00 C ATOM 577 C ILE A 43 -2.015 -5.176 -1.984 1.00 0.00 C ATOM 578 O ILE A 43 -3.007 -5.690 -2.502 1.00 0.00 O ATOM 579 CB ILE A 43 -1.370 -3.968 -4.164 1.00 0.00 C ATOM 580 CG1 ILE A 43 -0.169 -3.514 -5.055 1.00 0.00 C ATOM 581 CG2 ILE A 43 -2.309 -2.772 -3.853 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.557 -2.943 -6.404 1.00 0.00 C ATOM 0 H ILE A 43 -0.393 -6.587 -3.517 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.303 -3.868 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.950 -4.708 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.406 -2.764 -4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.490 -4.367 -5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.653 -2.327 -4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.168 -3.123 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.767 -2.025 -3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.342 -2.656 -6.950 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.103 -3.695 -6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.189 -2.067 -6.260 1.00 0.00 H new ATOM 594 N ARG A 44 -1.836 -5.095 -0.663 1.00 0.00 N ATOM 595 CA ARG A 44 -2.785 -5.623 0.338 1.00 0.00 C ATOM 596 C ARG A 44 -3.464 -4.458 1.069 1.00 0.00 C ATOM 597 O ARG A 44 -2.885 -3.873 1.990 1.00 0.00 O ATOM 598 CB ARG A 44 -2.060 -6.571 1.350 1.00 0.00 C ATOM 599 CG ARG A 44 -2.145 -8.102 1.076 1.00 0.00 C ATOM 600 CD ARG A 44 -1.430 -8.576 -0.203 1.00 0.00 C ATOM 601 NE ARG A 44 -2.265 -8.418 -1.412 1.00 0.00 N ATOM 602 CZ ARG A 44 -2.465 -9.352 -2.345 1.00 0.00 C ATOM 603 NH1 ARG A 44 -1.936 -10.567 -2.232 1.00 0.00 N ATOM 604 NH2 ARG A 44 -3.208 -9.068 -3.389 1.00 0.00 N ATOM 0 H ARG A 44 -1.016 -4.655 -0.246 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.547 -6.210 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.007 -6.291 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.469 -6.382 2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.721 -8.632 1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.195 -8.387 1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.505 -8.012 -0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.152 -9.624 -0.092 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.728 -7.519 -1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.364 -10.801 -1.420 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.102 -11.265 -2.957 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.625 -8.142 -3.481 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.368 -9.773 -4.108 1.00 0.00 H new ATOM 618 N PHE A 45 -4.683 -4.122 0.635 1.00 0.00 N ATOM 619 CA PHE A 45 -5.514 -3.104 1.298 1.00 0.00 C ATOM 620 C PHE A 45 -5.952 -3.614 2.679 1.00 0.00 C ATOM 621 O PHE A 45 -6.295 -4.795 2.818 1.00 0.00 O ATOM 622 CB PHE A 45 -6.762 -2.766 0.449 1.00 0.00 C ATOM 623 CG PHE A 45 -6.446 -2.277 -0.961 1.00 0.00 C ATOM 624 CD1 PHE A 45 -6.222 -0.923 -1.219 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.365 -3.171 -2.031 1.00 0.00 C ATOM 626 CE1 PHE A 45 -5.931 -0.487 -2.497 1.00 0.00 C ATOM 627 CE2 PHE A 45 -6.074 -2.729 -3.305 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.859 -1.388 -3.538 1.00 0.00 C ATOM 0 H PHE A 45 -5.123 -4.545 -0.183 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.920 -2.197 1.411 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.392 -3.653 0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.342 -2.001 0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.277 -0.209 -0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.533 -4.224 -1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.759 0.563 -2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.015 -3.435 -4.120 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.634 -1.043 -4.536 1.00 0.00 H new ATOM 638 N ILE A 46 -5.922 -2.741 3.694 1.00 0.00 N ATOM 639 CA ILE A 46 -6.393 -3.086 5.039 1.00 0.00 C ATOM 640 C ILE A 46 -7.930 -3.064 5.027 1.00 0.00 C ATOM 641 O ILE A 46 -8.560 -2.001 5.183 1.00 0.00 O ATOM 642 CB ILE A 46 -5.812 -2.100 6.120 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.269 -1.936 5.943 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.156 -2.584 7.554 1.00 0.00 C ATOM 645 CD1 ILE A 46 -3.600 -0.925 6.875 1.00 0.00 C ATOM 0 H ILE A 46 -5.574 -1.786 3.607 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.041 -4.081 5.310 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.277 -1.125 5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.799 -2.908 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.069 -1.641 4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.743 -1.886 8.282 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.239 -2.633 7.671 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.728 -3.573 7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.531 -0.891 6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.033 0.062 6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.759 -1.225 7.911 1.00 0.00 H new ATOM 657 N TYR A 47 -8.510 -4.237 4.730 1.00 0.00 N ATOM 658 CA TYR A 47 -9.958 -4.423 4.642 1.00 0.00 C ATOM 659 C TYR A 47 -10.579 -4.474 6.040 1.00 0.00 C ATOM 660 O TYR A 47 -9.955 -4.950 6.996 1.00 0.00 O ATOM 661 CB TYR A 47 -10.308 -5.718 3.861 1.00 0.00 C ATOM 662 CG TYR A 47 -9.798 -5.738 2.407 1.00 0.00 C ATOM 663 CD1 TYR A 47 -10.311 -4.854 1.450 1.00 0.00 C ATOM 664 CD2 TYR A 47 -8.815 -6.642 1.991 1.00 0.00 C ATOM 665 CE1 TYR A 47 -9.861 -4.873 0.143 1.00 0.00 C ATOM 666 CE2 TYR A 47 -8.363 -6.660 0.686 1.00 0.00 C ATOM 667 CZ TYR A 47 -8.890 -5.774 -0.234 1.00 0.00 C ATOM 668 OH TYR A 47 -8.447 -5.797 -1.541 1.00 0.00 O ATOM 0 H TYR A 47 -7.979 -5.087 4.543 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.371 -3.571 4.101 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.890 -6.573 4.392 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.391 -5.844 3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.072 -4.144 1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.401 -7.340 2.704 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.270 -4.183 -0.580 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.601 -7.364 0.386 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.761 -6.489 -1.642 1.00 0.00 H new ATOM 678 N THR A 48 -11.812 -3.989 6.140 1.00 0.00 N ATOM 679 CA THR A 48 -12.593 -3.986 7.377 1.00 0.00 C ATOM 680 C THR A 48 -13.701 -5.048 7.285 1.00 0.00 C ATOM 681 O THR A 48 -13.905 -5.675 6.230 1.00 0.00 O ATOM 682 CB THR A 48 -13.192 -2.549 7.667 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.023 -2.557 8.844 1.00 0.00 O ATOM 684 CG2 THR A 48 -14.013 -1.987 6.489 1.00 0.00 C ATOM 0 H THR A 48 -12.308 -3.578 5.349 1.00 0.00 H new ATOM 0 HA THR A 48 -11.939 -4.234 8.213 1.00 0.00 H new ATOM 0 HB THR A 48 -12.329 -1.901 7.821 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.378 -1.657 9.000 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.396 -1.001 6.750 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.377 -1.908 5.607 1.00 0.00 H new ATOM 0 HG23 THR A 48 -14.847 -2.655 6.275 1.00 0.00 H new ATOM 692 N ARG A 49 -14.414 -5.225 8.406 1.00 0.00 N ATOM 693 CA ARG A 49 -15.538 -6.180 8.554 1.00 0.00 C ATOM 694 C ARG A 49 -16.675 -5.940 7.524 1.00 0.00 C ATOM 695 O ARG A 49 -17.508 -6.815 7.291 1.00 0.00 O ATOM 696 CB ARG A 49 -16.074 -6.111 10.027 1.00 0.00 C ATOM 697 CG ARG A 49 -16.469 -4.689 10.544 1.00 0.00 C ATOM 698 CD ARG A 49 -17.866 -4.227 10.085 1.00 0.00 C ATOM 699 NE ARG A 49 -18.115 -2.806 10.354 1.00 0.00 N ATOM 700 CZ ARG A 49 -19.154 -2.104 9.866 1.00 0.00 C ATOM 701 NH1 ARG A 49 -20.092 -2.689 9.117 1.00 0.00 N ATOM 702 NH2 ARG A 49 -19.254 -0.816 10.134 1.00 0.00 N ATOM 0 H ARG A 49 -14.226 -4.699 9.259 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.163 -7.182 8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.946 -6.761 10.107 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.311 -6.519 10.690 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.435 -4.686 11.633 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.727 -3.968 10.200 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.972 -4.413 9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -18.625 -4.825 10.589 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.453 -2.315 10.954 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -20.028 -3.685 8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -20.872 -2.140 8.756 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -18.546 -0.358 10.708 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -20.039 -0.278 9.767 1.00 0.00 H new ATOM 716 N GLU A 50 -16.707 -4.728 6.948 1.00 0.00 N ATOM 717 CA GLU A 50 -17.771 -4.268 6.036 1.00 0.00 C ATOM 718 C GLU A 50 -17.514 -4.756 4.578 1.00 0.00 C ATOM 719 O GLU A 50 -18.352 -4.559 3.691 1.00 0.00 O ATOM 720 CB GLU A 50 -17.819 -2.711 6.133 1.00 0.00 C ATOM 721 CG GLU A 50 -18.998 -2.032 5.415 1.00 0.00 C ATOM 722 CD GLU A 50 -19.039 -0.513 5.644 1.00 0.00 C ATOM 723 OE1 GLU A 50 -19.605 -0.069 6.670 1.00 0.00 O ATOM 724 OE2 GLU A 50 -18.493 0.249 4.815 1.00 0.00 O ATOM 0 H GLU A 50 -15.983 -4.027 7.104 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.735 -4.688 6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.850 -2.432 7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.891 -2.311 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.930 -2.232 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.932 -2.473 5.763 1.00 0.00 H new ATOM 731 N GLY A 51 -16.359 -5.416 4.353 1.00 0.00 N ATOM 732 CA GLY A 51 -15.976 -5.908 3.019 1.00 0.00 C ATOM 733 C GLY A 51 -15.441 -4.808 2.110 1.00 0.00 C ATOM 734 O GLY A 51 -15.579 -4.869 0.884 1.00 0.00 O ATOM 0 H GLY A 51 -15.676 -5.620 5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.217 -6.683 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.841 -6.373 2.547 1.00 0.00 H new ATOM 738 N ARG A 52 -14.809 -3.806 2.730 1.00 0.00 N ATOM 739 CA ARG A 52 -14.264 -2.616 2.038 1.00 0.00 C ATOM 740 C ARG A 52 -12.855 -2.285 2.564 1.00 0.00 C ATOM 741 O ARG A 52 -12.552 -2.591 3.708 1.00 0.00 O ATOM 742 CB ARG A 52 -15.194 -1.384 2.258 1.00 0.00 C ATOM 743 CG ARG A 52 -16.530 -1.423 1.482 1.00 0.00 C ATOM 744 CD ARG A 52 -17.354 -0.137 1.663 1.00 0.00 C ATOM 745 NE ARG A 52 -18.542 -0.109 0.784 1.00 0.00 N ATOM 746 CZ ARG A 52 -19.703 0.487 1.069 1.00 0.00 C ATOM 747 NH1 ARG A 52 -19.945 0.975 2.287 1.00 0.00 N ATOM 748 NH2 ARG A 52 -20.637 0.556 0.137 1.00 0.00 N ATOM 0 H ARG A 52 -14.656 -3.791 3.738 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.208 -2.842 0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.413 -1.299 3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.651 -0.483 1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.326 -1.574 0.422 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -17.117 -2.277 1.819 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.671 -0.053 2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.726 0.728 1.451 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.469 -0.585 -0.115 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.238 0.896 3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.837 1.427 2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.467 0.157 -0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.528 1.008 0.341 1.00 0.00 H new ATOM 762 N PRO A 53 -11.964 -1.666 1.731 1.00 0.00 N ATOM 763 CA PRO A 53 -10.710 -1.049 2.232 1.00 0.00 C ATOM 764 C PRO A 53 -11.027 0.229 3.045 1.00 0.00 C ATOM 765 O PRO A 53 -11.976 0.949 2.713 1.00 0.00 O ATOM 766 CB PRO A 53 -9.931 -0.717 0.933 1.00 0.00 C ATOM 767 CG PRO A 53 -11.001 -0.538 -0.108 1.00 0.00 C ATOM 768 CD PRO A 53 -12.084 -1.540 0.246 1.00 0.00 C ATOM 0 HA PRO A 53 -10.144 -1.695 2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.333 0.187 1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.245 -1.521 0.664 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.390 0.480 -0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.609 -0.721 -1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -13.072 -1.186 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.926 -2.496 -0.253 1.00 0.00 H new ATOM 776 N SER A 54 -10.237 0.503 4.090 1.00 0.00 N ATOM 777 CA SER A 54 -10.420 1.703 4.932 1.00 0.00 C ATOM 778 C SER A 54 -9.931 2.967 4.184 1.00 0.00 C ATOM 779 O SER A 54 -10.560 4.028 4.234 1.00 0.00 O ATOM 780 CB SER A 54 -9.653 1.512 6.258 1.00 0.00 C ATOM 781 OG SER A 54 -8.275 1.229 6.027 1.00 0.00 O ATOM 0 H SER A 54 -9.459 -0.091 4.378 1.00 0.00 H new ATOM 0 HA SER A 54 -11.479 1.838 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.744 2.412 6.865 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.103 0.698 6.826 1.00 0.00 H new ATOM 0 HG SER A 54 -7.722 1.883 6.503 1.00 0.00 H new ATOM 787 N GLY A 55 -8.826 2.794 3.460 1.00 0.00 N ATOM 788 CA GLY A 55 -8.134 3.878 2.753 1.00 0.00 C ATOM 789 C GLY A 55 -6.628 3.704 2.843 1.00 0.00 C ATOM 790 O GLY A 55 -5.869 4.402 2.166 1.00 0.00 O ATOM 0 H GLY A 55 -8.378 1.885 3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.441 3.891 1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.420 4.839 3.181 1.00 0.00 H new ATOM 794 N GLU A 56 -6.206 2.761 3.715 1.00 0.00 N ATOM 795 CA GLU A 56 -4.803 2.383 3.904 1.00 0.00 C ATOM 796 C GLU A 56 -4.540 1.028 3.227 1.00 0.00 C ATOM 797 O GLU A 56 -5.444 0.186 3.112 1.00 0.00 O ATOM 798 CB GLU A 56 -4.420 2.292 5.410 1.00 0.00 C ATOM 799 CG GLU A 56 -4.571 3.592 6.237 1.00 0.00 C ATOM 800 CD GLU A 56 -6.024 3.939 6.613 1.00 0.00 C ATOM 801 OE1 GLU A 56 -6.569 3.302 7.543 1.00 0.00 O ATOM 802 OE2 GLU A 56 -6.635 4.831 5.980 1.00 0.00 O ATOM 0 H GLU A 56 -6.847 2.238 4.312 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.187 3.160 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.034 1.519 5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.384 1.961 5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.984 3.498 7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.147 4.421 5.670 1.00 0.00 H new ATOM 809 N ALA A 57 -3.294 0.839 2.781 1.00 0.00 N ATOM 810 CA ALA A 57 -2.820 -0.402 2.154 1.00 0.00 C ATOM 811 C ALA A 57 -1.339 -0.609 2.466 1.00 0.00 C ATOM 812 O ALA A 57 -0.678 0.279 2.999 1.00 0.00 O ATOM 813 CB ALA A 57 -3.043 -0.352 0.629 1.00 0.00 C ATOM 0 H ALA A 57 -2.572 1.557 2.846 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.387 -1.240 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.687 -1.278 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.106 -0.232 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.494 0.490 0.208 1.00 0.00 H new ATOM 819 N PHE A 58 -0.841 -1.812 2.181 1.00 0.00 N ATOM 820 CA PHE A 58 0.596 -2.105 2.169 1.00 0.00 C ATOM 821 C PHE A 58 1.030 -2.379 0.727 1.00 0.00 C ATOM 822 O PHE A 58 0.468 -3.252 0.064 1.00 0.00 O ATOM 823 CB PHE A 58 0.918 -3.327 3.063 1.00 0.00 C ATOM 824 CG PHE A 58 0.566 -3.114 4.535 1.00 0.00 C ATOM 825 CD1 PHE A 58 1.378 -2.322 5.349 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.576 -3.683 5.099 1.00 0.00 C ATOM 827 CE1 PHE A 58 1.061 -2.113 6.674 1.00 0.00 C ATOM 828 CE2 PHE A 58 -0.889 -3.470 6.427 1.00 0.00 C ATOM 829 CZ PHE A 58 -0.066 -2.684 7.212 1.00 0.00 C ATOM 0 H PHE A 58 -1.424 -2.616 1.950 1.00 0.00 H new ATOM 0 HA PHE A 58 1.140 -1.248 2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.374 -4.194 2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.980 -3.557 2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.266 -1.867 4.935 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.223 -4.297 4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.700 -1.499 7.291 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.776 -3.917 6.852 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.310 -2.519 8.251 1.00 0.00 H new ATOM 839 N VAL A 59 2.004 -1.604 0.236 1.00 0.00 N ATOM 840 CA VAL A 59 2.641 -1.841 -1.060 1.00 0.00 C ATOM 841 C VAL A 59 4.072 -2.314 -0.795 1.00 0.00 C ATOM 842 O VAL A 59 4.925 -1.553 -0.332 1.00 0.00 O ATOM 843 CB VAL A 59 2.605 -0.559 -1.979 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.505 -0.703 -3.235 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.138 -0.235 -2.379 1.00 0.00 C ATOM 0 H VAL A 59 2.373 -0.792 0.731 1.00 0.00 H new ATOM 0 HA VAL A 59 2.092 -2.607 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 59 3.011 0.272 -1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.444 0.206 -3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.538 -0.865 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.167 -1.552 -3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.121 0.651 -3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.714 -1.079 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.548 -0.050 -1.481 1.00 0.00 H new ATOM 855 N GLU A 60 4.300 -3.607 -1.041 1.00 0.00 N ATOM 856 CA GLU A 60 5.594 -4.251 -0.868 1.00 0.00 C ATOM 857 C GLU A 60 6.414 -4.042 -2.135 1.00 0.00 C ATOM 858 O GLU A 60 5.860 -3.931 -3.229 1.00 0.00 O ATOM 859 CB GLU A 60 5.395 -5.746 -0.568 1.00 0.00 C ATOM 860 CG GLU A 60 4.532 -6.018 0.671 1.00 0.00 C ATOM 861 CD GLU A 60 4.282 -7.505 0.895 1.00 0.00 C ATOM 862 OE1 GLU A 60 3.377 -8.066 0.236 1.00 0.00 O ATOM 863 OE2 GLU A 60 5.009 -8.136 1.690 1.00 0.00 O ATOM 0 H GLU A 60 3.574 -4.242 -1.372 1.00 0.00 H new ATOM 0 HA GLU A 60 6.129 -3.813 -0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.933 -6.223 -1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.370 -6.213 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.022 -5.599 1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.576 -5.505 0.564 1.00 0.00 H new ATOM 870 N LEU A 61 7.732 -4.013 -1.978 1.00 0.00 N ATOM 871 CA LEU A 61 8.665 -3.529 -3.006 1.00 0.00 C ATOM 872 C LEU A 61 9.892 -4.443 -3.043 1.00 0.00 C ATOM 873 O LEU A 61 10.259 -5.023 -2.018 1.00 0.00 O ATOM 874 CB LEU A 61 9.043 -2.047 -2.681 1.00 0.00 C ATOM 875 CG LEU A 61 7.843 -1.032 -2.727 1.00 0.00 C ATOM 876 CD1 LEU A 61 8.209 0.328 -2.118 1.00 0.00 C ATOM 877 CD2 LEU A 61 7.306 -0.876 -4.166 1.00 0.00 C ATOM 0 H LEU A 61 8.195 -4.327 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 61 8.207 -3.553 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.492 -2.011 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.805 -1.718 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 61 7.046 -1.448 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.348 0.995 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.498 0.194 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.041 0.763 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.477 -0.169 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.101 -0.506 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.960 -1.843 -4.532 1.00 0.00 H new ATOM 889 N GLU A 62 10.503 -4.609 -4.230 1.00 0.00 N ATOM 890 CA GLU A 62 11.663 -5.508 -4.407 1.00 0.00 C ATOM 891 C GLU A 62 12.958 -4.951 -3.780 1.00 0.00 C ATOM 892 O GLU A 62 13.872 -5.727 -3.475 1.00 0.00 O ATOM 893 CB GLU A 62 11.885 -5.850 -5.900 1.00 0.00 C ATOM 894 CG GLU A 62 10.733 -6.630 -6.564 1.00 0.00 C ATOM 895 CD GLU A 62 11.093 -7.144 -7.967 1.00 0.00 C ATOM 896 OE1 GLU A 62 11.088 -6.345 -8.926 1.00 0.00 O ATOM 897 OE2 GLU A 62 11.428 -8.347 -8.110 1.00 0.00 O ATOM 0 H GLU A 62 10.213 -4.132 -5.084 1.00 0.00 H new ATOM 0 HA GLU A 62 11.420 -6.425 -3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.042 -4.923 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.801 -6.434 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.460 -7.475 -5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.856 -5.986 -6.632 1.00 0.00 H new ATOM 904 N SER A 63 13.034 -3.625 -3.568 1.00 0.00 N ATOM 905 CA SER A 63 14.212 -2.997 -2.956 1.00 0.00 C ATOM 906 C SER A 63 13.802 -1.817 -2.074 1.00 0.00 C ATOM 907 O SER A 63 12.725 -1.228 -2.240 1.00 0.00 O ATOM 908 CB SER A 63 15.220 -2.539 -4.036 1.00 0.00 C ATOM 909 OG SER A 63 14.702 -1.485 -4.825 1.00 0.00 O ATOM 0 H SER A 63 12.292 -2.970 -3.813 1.00 0.00 H new ATOM 0 HA SER A 63 14.700 -3.743 -2.329 1.00 0.00 H new ATOM 0 HB2 SER A 63 16.144 -2.214 -3.557 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.473 -3.383 -4.678 1.00 0.00 H new ATOM 0 HG SER A 63 14.020 -1.837 -5.434 1.00 0.00 H new ATOM 915 N GLU A 64 14.693 -1.510 -1.124 1.00 0.00 N ATOM 916 CA GLU A 64 14.583 -0.376 -0.200 1.00 0.00 C ATOM 917 C GLU A 64 14.775 0.973 -0.955 1.00 0.00 C ATOM 918 O GLU A 64 14.371 2.031 -0.464 1.00 0.00 O ATOM 919 CB GLU A 64 15.607 -0.599 0.956 1.00 0.00 C ATOM 920 CG GLU A 64 15.417 0.279 2.215 1.00 0.00 C ATOM 921 CD GLU A 64 16.128 1.629 2.146 1.00 0.00 C ATOM 922 OE1 GLU A 64 17.371 1.645 2.017 1.00 0.00 O ATOM 923 OE2 GLU A 64 15.465 2.674 2.194 1.00 0.00 O ATOM 0 H GLU A 64 15.537 -2.062 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 64 13.586 -0.318 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.561 -1.645 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.609 -0.424 0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.351 0.449 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.782 -0.268 3.085 1.00 0.00 H new ATOM 930 N ASP A 65 15.375 0.918 -2.161 1.00 0.00 N ATOM 931 CA ASP A 65 15.459 2.077 -3.083 1.00 0.00 C ATOM 932 C ASP A 65 14.043 2.575 -3.415 1.00 0.00 C ATOM 933 O ASP A 65 13.713 3.748 -3.216 1.00 0.00 O ATOM 934 CB ASP A 65 16.205 1.679 -4.385 1.00 0.00 C ATOM 935 CG ASP A 65 17.653 1.243 -4.147 1.00 0.00 C ATOM 936 OD1 ASP A 65 17.870 0.109 -3.665 1.00 0.00 O ATOM 937 OD2 ASP A 65 18.581 2.041 -4.406 1.00 0.00 O ATOM 0 H ASP A 65 15.815 0.073 -2.526 1.00 0.00 H new ATOM 0 HA ASP A 65 16.017 2.878 -2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.664 0.867 -4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.196 2.525 -5.073 1.00 0.00 H new ATOM 942 N GLU A 66 13.239 1.637 -3.920 1.00 0.00 N ATOM 943 CA GLU A 66 11.800 1.823 -4.195 1.00 0.00 C ATOM 944 C GLU A 66 11.025 2.371 -2.978 1.00 0.00 C ATOM 945 O GLU A 66 10.079 3.134 -3.151 1.00 0.00 O ATOM 946 CB GLU A 66 11.193 0.480 -4.623 1.00 0.00 C ATOM 947 CG GLU A 66 11.814 -0.143 -5.898 1.00 0.00 C ATOM 948 CD GLU A 66 11.522 -1.639 -6.041 1.00 0.00 C ATOM 949 OE1 GLU A 66 10.396 -2.053 -5.737 1.00 0.00 O ATOM 950 OE2 GLU A 66 12.426 -2.412 -6.429 1.00 0.00 O ATOM 0 H GLU A 66 13.572 0.702 -4.157 1.00 0.00 H new ATOM 0 HA GLU A 66 11.712 2.562 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.300 -0.228 -3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.124 0.618 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.431 0.381 -6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.893 0.010 -5.881 1.00 0.00 H new ATOM 957 N VAL A 67 11.410 1.943 -1.759 1.00 0.00 N ATOM 958 CA VAL A 67 10.800 2.452 -0.509 1.00 0.00 C ATOM 959 C VAL A 67 11.016 3.965 -0.377 1.00 0.00 C ATOM 960 O VAL A 67 10.064 4.693 -0.171 1.00 0.00 O ATOM 961 CB VAL A 67 11.343 1.701 0.760 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.849 2.339 2.090 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.962 0.211 0.690 1.00 0.00 C ATOM 0 H VAL A 67 12.140 1.246 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 67 9.729 2.256 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 67 12.429 1.796 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.254 1.781 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.186 3.374 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.760 2.310 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.342 -0.303 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.877 0.114 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.397 -0.234 -0.205 1.00 0.00 H new ATOM 973 N LYS A 68 12.273 4.405 -0.507 1.00 0.00 N ATOM 974 CA LYS A 68 12.642 5.842 -0.479 1.00 0.00 C ATOM 975 C LYS A 68 11.905 6.668 -1.564 1.00 0.00 C ATOM 976 O LYS A 68 11.541 7.819 -1.317 1.00 0.00 O ATOM 977 CB LYS A 68 14.179 6.010 -0.614 1.00 0.00 C ATOM 978 CG LYS A 68 14.973 5.507 0.611 1.00 0.00 C ATOM 979 CD LYS A 68 16.504 5.658 0.457 1.00 0.00 C ATOM 980 CE LYS A 68 17.093 4.749 -0.628 1.00 0.00 C ATOM 981 NZ LYS A 68 16.958 3.325 -0.280 1.00 0.00 N ATOM 0 H LYS A 68 13.070 3.782 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 68 12.323 6.234 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.517 5.472 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.407 7.064 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.649 6.056 1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.735 4.457 0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.738 6.696 0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.983 5.433 1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.590 4.941 -1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.146 4.990 -0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.413 2.744 -1.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.416 3.147 0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.950 3.077 -0.218 1.00 0.00 H new ATOM 995 N LEU A 69 11.707 6.073 -2.762 1.00 0.00 N ATOM 996 CA LEU A 69 10.884 6.681 -3.841 1.00 0.00 C ATOM 997 C LEU A 69 9.427 6.888 -3.362 1.00 0.00 C ATOM 998 O LEU A 69 8.883 7.989 -3.445 1.00 0.00 O ATOM 999 CB LEU A 69 10.900 5.778 -5.110 1.00 0.00 C ATOM 1000 CG LEU A 69 12.277 5.631 -5.831 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.241 4.513 -6.895 1.00 0.00 C ATOM 1002 CD2 LEU A 69 12.716 6.980 -6.446 1.00 0.00 C ATOM 0 H LEU A 69 12.107 5.168 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 69 11.313 7.651 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.552 4.784 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.180 6.177 -5.824 1.00 0.00 H new ATOM 0 HG LEU A 69 13.018 5.342 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.216 4.438 -7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.999 3.564 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.483 4.747 -7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.678 6.857 -6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.971 7.309 -7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.809 7.726 -5.657 1.00 0.00 H new ATOM 1014 N ALA A 70 8.847 5.791 -2.852 1.00 0.00 N ATOM 1015 CA ALA A 70 7.470 5.745 -2.321 1.00 0.00 C ATOM 1016 C ALA A 70 7.253 6.794 -1.201 1.00 0.00 C ATOM 1017 O ALA A 70 6.271 7.530 -1.222 1.00 0.00 O ATOM 1018 CB ALA A 70 7.155 4.322 -1.826 1.00 0.00 C ATOM 0 H ALA A 70 9.328 4.893 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 70 6.779 5.999 -3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.138 4.290 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.247 3.620 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.856 4.047 -1.038 1.00 0.00 H new ATOM 1024 N LEU A 71 8.204 6.858 -0.249 1.00 0.00 N ATOM 1025 CA LEU A 71 8.213 7.835 0.871 1.00 0.00 C ATOM 1026 C LEU A 71 8.191 9.287 0.364 1.00 0.00 C ATOM 1027 O LEU A 71 7.600 10.147 0.991 1.00 0.00 O ATOM 1028 CB LEU A 71 9.455 7.610 1.784 1.00 0.00 C ATOM 1029 CG LEU A 71 9.524 6.245 2.539 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.822 6.127 3.368 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.268 6.018 3.407 1.00 0.00 C ATOM 0 H LEU A 71 9.003 6.224 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 71 7.306 7.669 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.351 7.707 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.485 8.411 2.523 1.00 0.00 H new ATOM 0 HG LEU A 71 9.545 5.453 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.840 5.166 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.685 6.201 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.859 6.931 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.348 5.059 3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.186 6.817 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.382 6.017 2.772 1.00 0.00 H new ATOM 1043 N LYS A 72 8.819 9.530 -0.796 1.00 0.00 N ATOM 1044 CA LYS A 72 8.849 10.875 -1.420 1.00 0.00 C ATOM 1045 C LYS A 72 7.513 11.200 -2.092 1.00 0.00 C ATOM 1046 O LYS A 72 7.210 12.366 -2.341 1.00 0.00 O ATOM 1047 CB LYS A 72 10.009 10.991 -2.432 1.00 0.00 C ATOM 1048 CG LYS A 72 11.397 10.968 -1.783 1.00 0.00 C ATOM 1049 CD LYS A 72 12.553 11.011 -2.806 1.00 0.00 C ATOM 1050 CE LYS A 72 13.924 10.966 -2.117 1.00 0.00 C ATOM 1051 NZ LYS A 72 14.040 9.786 -1.220 1.00 0.00 N ATOM 0 H LYS A 72 9.316 8.815 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 72 9.016 11.604 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.939 10.172 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.896 11.917 -2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.488 11.818 -1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.492 10.067 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.463 10.169 -3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.476 11.919 -3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.711 10.931 -2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.074 11.879 -1.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.999 9.389 -1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.857 10.077 -0.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.345 9.066 -1.502 1.00 0.00 H new ATOM 1065 N LYS A 73 6.713 10.159 -2.366 1.00 0.00 N ATOM 1066 CA LYS A 73 5.378 10.306 -2.968 1.00 0.00 C ATOM 1067 C LYS A 73 4.296 10.501 -1.884 1.00 0.00 C ATOM 1068 O LYS A 73 3.103 10.490 -2.197 1.00 0.00 O ATOM 1069 CB LYS A 73 5.058 9.082 -3.869 1.00 0.00 C ATOM 1070 CG LYS A 73 6.132 8.803 -4.953 1.00 0.00 C ATOM 1071 CD LYS A 73 5.613 7.963 -6.139 1.00 0.00 C ATOM 1072 CE LYS A 73 4.451 8.668 -6.846 1.00 0.00 C ATOM 1073 NZ LYS A 73 4.083 8.036 -8.121 1.00 0.00 N ATOM 0 H LYS A 73 6.973 9.191 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 73 5.378 11.200 -3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.952 8.198 -3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.097 9.243 -4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.510 9.753 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.974 8.285 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.423 7.789 -6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.287 6.986 -5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.583 8.675 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.721 9.708 -7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.495 8.690 -8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.945 7.806 -8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.548 7.164 -7.934 1.00 0.00 H new ATOM 1087 N ASP A 74 4.727 10.718 -0.607 1.00 0.00 N ATOM 1088 CA ASP A 74 3.834 10.998 0.554 1.00 0.00 C ATOM 1089 C ASP A 74 3.018 12.317 0.461 1.00 0.00 C ATOM 1090 O ASP A 74 2.344 12.691 1.430 1.00 0.00 O ATOM 1091 CB ASP A 74 4.684 11.011 1.867 1.00 0.00 C ATOM 1092 CG ASP A 74 5.587 12.261 2.045 1.00 0.00 C ATOM 1093 OD1 ASP A 74 6.254 12.695 1.074 1.00 0.00 O ATOM 1094 OD2 ASP A 74 5.654 12.800 3.175 1.00 0.00 O ATOM 0 H ASP A 74 5.715 10.703 -0.354 1.00 0.00 H new ATOM 0 HA ASP A 74 3.095 10.197 0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.010 10.943 2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.312 10.121 1.885 1.00 0.00 H new ATOM 1099 N ARG A 75 3.049 12.993 -0.694 1.00 0.00 N ATOM 1100 CA ARG A 75 2.346 14.266 -0.900 1.00 0.00 C ATOM 1101 C ARG A 75 1.507 14.206 -2.183 1.00 0.00 C ATOM 1102 O ARG A 75 0.391 14.738 -2.222 1.00 0.00 O ATOM 1103 CB ARG A 75 3.379 15.415 -0.958 1.00 0.00 C ATOM 1104 CG ARG A 75 2.794 16.842 -0.874 1.00 0.00 C ATOM 1105 CD ARG A 75 3.880 17.926 -0.966 1.00 0.00 C ATOM 1106 NE ARG A 75 3.360 19.266 -0.628 1.00 0.00 N ATOM 1107 CZ ARG A 75 3.779 20.025 0.404 1.00 0.00 C ATOM 1108 NH1 ARG A 75 4.724 19.585 1.234 1.00 0.00 N ATOM 1109 NH2 ARG A 75 3.239 21.214 0.612 1.00 0.00 N ATOM 0 H ARG A 75 3.563 12.672 -1.514 1.00 0.00 H new ATOM 0 HA ARG A 75 1.666 14.450 -0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.088 15.284 -0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.943 15.327 -1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.073 16.984 -1.679 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.251 16.954 0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.699 17.675 -0.292 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.291 17.942 -1.975 1.00 0.00 H new ATOM 0 HE ARG A 75 2.625 19.648 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.139 18.664 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.032 20.169 2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.505 21.557 -0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.556 21.789 1.393 1.00 0.00 H new ATOM 1123 N GLU A 76 2.060 13.530 -3.215 1.00 0.00 N ATOM 1124 CA GLU A 76 1.483 13.462 -4.575 1.00 0.00 C ATOM 1125 C GLU A 76 -0.001 13.020 -4.583 1.00 0.00 C ATOM 1126 O GLU A 76 -0.420 12.159 -3.787 1.00 0.00 O ATOM 1127 CB GLU A 76 2.334 12.512 -5.461 1.00 0.00 C ATOM 1128 CG GLU A 76 1.947 12.522 -6.954 1.00 0.00 C ATOM 1129 CD GLU A 76 2.850 11.663 -7.850 1.00 0.00 C ATOM 1130 OE1 GLU A 76 4.042 12.014 -8.023 1.00 0.00 O ATOM 1131 OE2 GLU A 76 2.391 10.635 -8.389 1.00 0.00 O ATOM 0 H GLU A 76 2.932 13.009 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 76 1.507 14.472 -4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.384 12.790 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.239 11.495 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.919 12.172 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.970 13.550 -7.316 1.00 0.00 H new ATOM 1138 N THR A 77 -0.774 13.618 -5.502 1.00 0.00 N ATOM 1139 CA THR A 77 -2.209 13.381 -5.624 1.00 0.00 C ATOM 1140 C THR A 77 -2.475 12.211 -6.592 1.00 0.00 C ATOM 1141 O THR A 77 -2.222 12.319 -7.797 1.00 0.00 O ATOM 1142 CB THR A 77 -2.962 14.672 -6.099 1.00 0.00 C ATOM 1143 OG1 THR A 77 -2.412 15.152 -7.338 1.00 0.00 O ATOM 1144 CG2 THR A 77 -2.884 15.793 -5.054 1.00 0.00 C ATOM 0 H THR A 77 -0.412 14.284 -6.184 1.00 0.00 H new ATOM 0 HA THR A 77 -2.593 13.117 -4.639 1.00 0.00 H new ATOM 0 HB THR A 77 -4.007 14.396 -6.239 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.223 14.393 -7.928 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.418 16.670 -5.421 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.339 15.455 -4.123 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.840 16.052 -4.875 1.00 0.00 H new ATOM 1152 N MET A 78 -2.945 11.086 -6.029 1.00 0.00 N ATOM 1153 CA MET A 78 -3.421 9.919 -6.783 1.00 0.00 C ATOM 1154 C MET A 78 -4.789 10.291 -7.388 1.00 0.00 C ATOM 1155 O MET A 78 -5.832 10.176 -6.736 1.00 0.00 O ATOM 1156 CB MET A 78 -3.489 8.703 -5.819 1.00 0.00 C ATOM 1157 CG MET A 78 -3.683 7.320 -6.445 1.00 0.00 C ATOM 1158 SD MET A 78 -5.338 7.039 -7.088 1.00 0.00 S ATOM 1159 CE MET A 78 -5.269 5.267 -7.332 1.00 0.00 C ATOM 0 H MET A 78 -3.005 10.962 -5.018 1.00 0.00 H new ATOM 0 HA MET A 78 -2.753 9.641 -7.598 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.568 8.683 -5.236 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.306 8.874 -5.118 1.00 0.00 H new ATOM 0 HG2 MET A 78 -2.963 7.193 -7.254 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.460 6.559 -5.697 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.264 4.894 -7.577 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.585 5.039 -8.149 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.916 4.787 -6.419 1.00 0.00 H new ATOM 1169 N GLY A 79 -4.751 10.816 -8.626 1.00 0.00 N ATOM 1170 CA GLY A 79 -5.887 11.527 -9.202 1.00 0.00 C ATOM 1171 C GLY A 79 -5.988 12.924 -8.611 1.00 0.00 C ATOM 1172 O GLY A 79 -5.275 13.833 -9.041 1.00 0.00 O ATOM 0 H GLY A 79 -3.940 10.756 -9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.775 11.590 -10.284 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.807 10.975 -9.008 1.00 0.00 H new ATOM 1176 N HIS A 80 -6.840 13.070 -7.581 1.00 0.00 N ATOM 1177 CA HIS A 80 -6.972 14.313 -6.781 1.00 0.00 C ATOM 1178 C HIS A 80 -6.843 13.986 -5.274 1.00 0.00 C ATOM 1179 O HIS A 80 -6.892 14.877 -4.417 1.00 0.00 O ATOM 1180 CB HIS A 80 -8.334 14.996 -7.101 1.00 0.00 C ATOM 1181 CG HIS A 80 -8.524 16.366 -6.502 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -9.688 16.776 -5.882 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -7.689 17.426 -6.455 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -9.558 18.027 -5.489 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -8.354 18.441 -5.824 1.00 0.00 N ATOM 0 H HIS A 80 -7.465 12.325 -7.273 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.173 15.007 -7.042 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.438 15.073 -8.183 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.138 14.349 -6.749 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.682 17.465 -6.844 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.310 18.612 -4.980 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -7.977 19.371 -5.642 1.00 0.00 H new ATOM 1194 N ARG A 81 -6.644 12.692 -4.975 1.00 0.00 N ATOM 1195 CA ARG A 81 -6.524 12.174 -3.609 1.00 0.00 C ATOM 1196 C ARG A 81 -5.106 12.428 -3.097 1.00 0.00 C ATOM 1197 O ARG A 81 -4.156 11.865 -3.636 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.839 10.656 -3.612 1.00 0.00 C ATOM 1199 CG ARG A 81 -8.284 10.310 -4.018 1.00 0.00 C ATOM 1200 CD ARG A 81 -9.299 10.529 -2.883 1.00 0.00 C ATOM 1201 NE ARG A 81 -9.141 9.532 -1.812 1.00 0.00 N ATOM 1202 CZ ARG A 81 -9.955 9.386 -0.759 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -10.967 10.230 -0.552 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -9.738 8.400 0.095 1.00 0.00 N ATOM 0 H ARG A 81 -6.561 11.968 -5.689 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.230 12.679 -2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.152 10.156 -4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.648 10.255 -2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.570 10.919 -4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.326 9.269 -4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.173 11.530 -2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.311 10.475 -3.284 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.344 8.899 -1.877 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.130 11.000 -1.201 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.578 10.105 0.255 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.957 7.761 -0.052 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.351 8.279 0.901 1.00 0.00 H new ATOM 1218 N TYR A 82 -4.969 13.272 -2.063 1.00 0.00 N ATOM 1219 CA TYR A 82 -3.661 13.536 -1.439 1.00 0.00 C ATOM 1220 C TYR A 82 -3.256 12.273 -0.668 1.00 0.00 C ATOM 1221 O TYR A 82 -3.868 11.937 0.347 1.00 0.00 O ATOM 1222 CB TYR A 82 -3.734 14.774 -0.502 1.00 0.00 C ATOM 1223 CG TYR A 82 -3.812 16.123 -1.245 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -4.971 16.517 -1.924 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -2.717 16.993 -1.279 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -5.031 17.723 -2.605 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -2.774 18.199 -1.952 1.00 0.00 C ATOM 1228 CZ TYR A 82 -3.929 18.562 -2.619 1.00 0.00 C ATOM 1229 OH TYR A 82 -3.973 19.766 -3.307 1.00 0.00 O ATOM 0 H TYR A 82 -5.745 13.783 -1.641 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.914 13.765 -2.199 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.607 14.676 0.144 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.857 14.778 0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.835 15.869 -1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.807 16.716 -0.768 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.935 18.008 -3.123 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.917 18.857 -1.957 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.115 20.229 -3.211 1.00 0.00 H new ATOM 1239 N VAL A 83 -2.259 11.547 -1.192 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.883 10.210 -0.704 1.00 0.00 C ATOM 1241 C VAL A 83 -0.547 10.280 0.045 1.00 0.00 C ATOM 1242 O VAL A 83 0.464 10.731 -0.495 1.00 0.00 O ATOM 1243 CB VAL A 83 -1.838 9.169 -1.890 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -1.119 7.851 -1.504 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -3.277 8.873 -2.388 1.00 0.00 C ATOM 0 H VAL A 83 -1.686 11.871 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.643 9.863 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.256 9.620 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.118 7.173 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.091 8.069 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.641 7.383 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.238 8.154 -3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.867 8.460 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.738 9.797 -2.738 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.590 9.848 1.313 1.00 0.00 N ATOM 1256 CA GLU A 84 0.560 9.796 2.216 1.00 0.00 C ATOM 1257 C GLU A 84 1.137 8.388 2.208 1.00 0.00 C ATOM 1258 O GLU A 84 0.398 7.408 2.247 1.00 0.00 O ATOM 1259 CB GLU A 84 0.123 10.167 3.644 1.00 0.00 C ATOM 1260 CG GLU A 84 -0.392 11.603 3.796 1.00 0.00 C ATOM 1261 CD GLU A 84 -1.001 11.856 5.180 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -2.203 11.551 5.369 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -0.289 12.321 6.089 1.00 0.00 O ATOM 0 H GLU A 84 -1.451 9.517 1.747 1.00 0.00 H new ATOM 0 HA GLU A 84 1.316 10.506 1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.659 9.478 3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.967 10.024 4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.428 12.301 3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.141 11.802 3.029 1.00 0.00 H new ATOM 1270 N VAL A 85 2.461 8.300 2.172 1.00 0.00 N ATOM 1271 CA VAL A 85 3.179 7.030 2.160 1.00 0.00 C ATOM 1272 C VAL A 85 4.167 7.004 3.334 1.00 0.00 C ATOM 1273 O VAL A 85 5.098 7.810 3.402 1.00 0.00 O ATOM 1274 CB VAL A 85 3.928 6.770 0.801 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.611 5.378 0.809 1.00 0.00 C ATOM 1276 CG2 VAL A 85 2.979 6.919 -0.424 1.00 0.00 C ATOM 0 H VAL A 85 3.073 9.116 2.150 1.00 0.00 H new ATOM 0 HA VAL A 85 2.448 6.228 2.265 1.00 0.00 H new ATOM 0 HB VAL A 85 4.701 7.533 0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.123 5.219 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.334 5.332 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.857 4.604 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.537 6.731 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.163 6.201 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.571 7.930 -0.448 1.00 0.00 H new ATOM 1286 N PHE A 86 3.921 6.065 4.254 1.00 0.00 N ATOM 1287 CA PHE A 86 4.737 5.817 5.443 1.00 0.00 C ATOM 1288 C PHE A 86 5.564 4.554 5.185 1.00 0.00 C ATOM 1289 O PHE A 86 5.502 3.975 4.094 1.00 0.00 O ATOM 1290 CB PHE A 86 3.810 5.611 6.681 1.00 0.00 C ATOM 1291 CG PHE A 86 2.832 6.758 6.920 1.00 0.00 C ATOM 1292 CD1 PHE A 86 3.194 7.862 7.692 1.00 0.00 C ATOM 1293 CD2 PHE A 86 1.558 6.747 6.343 1.00 0.00 C ATOM 1294 CE1 PHE A 86 2.318 8.908 7.886 1.00 0.00 C ATOM 1295 CE2 PHE A 86 0.683 7.796 6.540 1.00 0.00 C ATOM 1296 CZ PHE A 86 1.067 8.879 7.307 1.00 0.00 C ATOM 0 H PHE A 86 3.121 5.436 4.187 1.00 0.00 H new ATOM 0 HA PHE A 86 5.394 6.663 5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.246 4.687 6.551 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.429 5.484 7.569 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.174 7.897 8.144 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.255 5.907 5.736 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.612 9.752 8.493 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.301 7.770 6.095 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.386 9.704 7.453 1.00 0.00 H new ATOM 1306 N LYS A 87 6.331 4.124 6.182 1.00 0.00 N ATOM 1307 CA LYS A 87 7.105 2.884 6.105 1.00 0.00 C ATOM 1308 C LYS A 87 6.489 1.840 7.036 1.00 0.00 C ATOM 1309 O LYS A 87 6.088 2.159 8.161 1.00 0.00 O ATOM 1310 CB LYS A 87 8.575 3.144 6.495 1.00 0.00 C ATOM 1311 CG LYS A 87 9.486 1.902 6.360 1.00 0.00 C ATOM 1312 CD LYS A 87 10.884 2.104 6.961 1.00 0.00 C ATOM 1313 CE LYS A 87 11.668 3.248 6.305 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.022 3.398 6.896 1.00 0.00 N ATOM 0 H LYS A 87 6.435 4.622 7.066 1.00 0.00 H new ATOM 0 HA LYS A 87 7.082 2.512 5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.971 3.943 5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.610 3.499 7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.007 1.054 6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.585 1.646 5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.787 2.304 8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.452 1.179 6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.757 3.061 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.116 4.180 6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.521 4.181 6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.937 3.602 7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.558 2.517 6.763 1.00 0.00 H new ATOM 1328 N SER A 88 6.391 0.605 6.545 1.00 0.00 N ATOM 1329 CA SER A 88 6.003 -0.559 7.343 1.00 0.00 C ATOM 1330 C SER A 88 7.031 -1.672 7.146 1.00 0.00 C ATOM 1331 O SER A 88 7.667 -1.768 6.101 1.00 0.00 O ATOM 1332 CB SER A 88 4.591 -1.032 6.945 1.00 0.00 C ATOM 1333 OG SER A 88 3.642 -0.014 7.193 1.00 0.00 O ATOM 0 H SER A 88 6.581 0.381 5.568 1.00 0.00 H new ATOM 0 HA SER A 88 5.978 -0.287 8.398 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.575 -1.303 5.889 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.328 -1.928 7.508 1.00 0.00 H new ATOM 0 HG SER A 88 3.853 0.430 8.041 1.00 0.00 H new ATOM 1339 N ASN A 89 7.230 -2.483 8.175 1.00 0.00 N ATOM 1340 CA ASN A 89 8.066 -3.690 8.061 1.00 0.00 C ATOM 1341 C ASN A 89 7.165 -4.867 7.724 1.00 0.00 C ATOM 1342 O ASN A 89 5.933 -4.727 7.708 1.00 0.00 O ATOM 1343 CB ASN A 89 8.854 -3.946 9.370 1.00 0.00 C ATOM 1344 CG ASN A 89 9.618 -2.711 9.848 1.00 0.00 C ATOM 1345 OD1 ASN A 89 9.972 -1.833 9.060 1.00 0.00 O ATOM 1346 ND2 ASN A 89 9.880 -2.630 11.138 1.00 0.00 N ATOM 0 H ASN A 89 6.829 -2.336 9.101 1.00 0.00 H new ATOM 0 HA ASN A 89 8.803 -3.554 7.269 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.162 -4.265 10.150 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.556 -4.765 9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.388 -1.825 11.506 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.575 -3.372 11.768 1.00 0.00 H new ATOM 1353 N ASN A 90 7.769 -6.026 7.458 1.00 0.00 N ATOM 1354 CA ASN A 90 7.013 -7.281 7.289 1.00 0.00 C ATOM 1355 C ASN A 90 6.302 -7.675 8.606 1.00 0.00 C ATOM 1356 O ASN A 90 5.356 -8.449 8.576 1.00 0.00 O ATOM 1357 CB ASN A 90 7.944 -8.413 6.784 1.00 0.00 C ATOM 1358 CG ASN A 90 8.418 -8.177 5.350 1.00 0.00 C ATOM 1359 OD1 ASN A 90 9.425 -7.507 5.112 1.00 0.00 O ATOM 1360 ND2 ASN A 90 7.701 -8.737 4.383 1.00 0.00 N ATOM 0 H ASN A 90 8.779 -6.128 7.354 1.00 0.00 H new ATOM 0 HA ASN A 90 6.242 -7.123 6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.809 -8.490 7.442 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.417 -9.365 6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.978 -8.619 3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.873 -9.285 4.615 1.00 0.00 H new ATOM 1367 N VAL A 91 6.773 -7.106 9.746 1.00 0.00 N ATOM 1368 CA VAL A 91 6.101 -7.216 11.058 1.00 0.00 C ATOM 1369 C VAL A 91 4.695 -6.562 11.005 1.00 0.00 C ATOM 1370 O VAL A 91 3.695 -7.226 11.275 1.00 0.00 O ATOM 1371 CB VAL A 91 6.949 -6.543 12.210 1.00 0.00 C ATOM 1372 CG1 VAL A 91 6.252 -6.678 13.594 1.00 0.00 C ATOM 1373 CG2 VAL A 91 8.395 -7.100 12.248 1.00 0.00 C ATOM 0 H VAL A 91 7.632 -6.557 9.776 1.00 0.00 H new ATOM 0 HA VAL A 91 6.003 -8.279 11.281 1.00 0.00 H new ATOM 0 HB VAL A 91 7.012 -5.479 11.983 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.866 -6.203 14.359 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.277 -6.193 13.559 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.124 -7.733 13.835 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.950 -6.616 13.051 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.366 -8.175 12.424 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.887 -6.901 11.296 1.00 0.00 H new ATOM 1383 N GLU A 92 4.647 -5.277 10.590 1.00 0.00 N ATOM 1384 CA GLU A 92 3.394 -4.468 10.574 1.00 0.00 C ATOM 1385 C GLU A 92 2.439 -4.983 9.504 1.00 0.00 C ATOM 1386 O GLU A 92 1.249 -5.134 9.745 1.00 0.00 O ATOM 1387 CB GLU A 92 3.692 -2.954 10.316 1.00 0.00 C ATOM 1388 CG GLU A 92 4.252 -2.195 11.525 1.00 0.00 C ATOM 1389 CD GLU A 92 5.554 -2.787 12.073 1.00 0.00 C ATOM 1390 OE1 GLU A 92 6.565 -2.773 11.346 1.00 0.00 O ATOM 1391 OE2 GLU A 92 5.578 -3.278 13.219 1.00 0.00 O ATOM 0 H GLU A 92 5.466 -4.768 10.258 1.00 0.00 H new ATOM 0 HA GLU A 92 2.931 -4.568 11.556 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.402 -2.873 9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.772 -2.467 9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.426 -1.157 11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.504 -2.189 12.318 1.00 0.00 H new ATOM 1398 N MET A 93 3.001 -5.244 8.323 1.00 0.00 N ATOM 1399 CA MET A 93 2.254 -5.747 7.170 1.00 0.00 C ATOM 1400 C MET A 93 1.532 -7.071 7.528 1.00 0.00 C ATOM 1401 O MET A 93 0.324 -7.186 7.342 1.00 0.00 O ATOM 1402 CB MET A 93 3.226 -5.875 5.965 1.00 0.00 C ATOM 1403 CG MET A 93 2.628 -6.440 4.669 1.00 0.00 C ATOM 1404 SD MET A 93 2.559 -8.237 4.666 1.00 0.00 S ATOM 1405 CE MET A 93 4.297 -8.650 4.848 1.00 0.00 C ATOM 0 H MET A 93 3.995 -5.111 8.139 1.00 0.00 H new ATOM 0 HA MET A 93 1.466 -5.050 6.884 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.638 -4.889 5.751 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.060 -6.511 6.263 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.623 -6.041 4.533 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.223 -6.101 3.821 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.502 -9.592 4.339 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.907 -7.860 4.409 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.539 -8.749 5.906 1.00 0.00 H new ATOM 1415 N ASP A 94 2.276 -8.011 8.137 1.00 0.00 N ATOM 1416 CA ASP A 94 1.721 -9.290 8.653 1.00 0.00 C ATOM 1417 C ASP A 94 0.579 -9.033 9.675 1.00 0.00 C ATOM 1418 O ASP A 94 -0.549 -9.487 9.481 1.00 0.00 O ATOM 1419 CB ASP A 94 2.853 -10.116 9.318 1.00 0.00 C ATOM 1420 CG ASP A 94 2.424 -11.500 9.848 1.00 0.00 C ATOM 1421 OD1 ASP A 94 1.910 -11.591 10.993 1.00 0.00 O ATOM 1422 OD2 ASP A 94 2.630 -12.513 9.136 1.00 0.00 O ATOM 0 H ASP A 94 3.280 -7.912 8.289 1.00 0.00 H new ATOM 0 HA ASP A 94 1.304 -9.849 7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.656 -10.254 8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.266 -9.539 10.145 1.00 0.00 H new ATOM 1427 N TRP A 95 0.898 -8.222 10.701 1.00 0.00 N ATOM 1428 CA TRP A 95 0.042 -8.014 11.896 1.00 0.00 C ATOM 1429 C TRP A 95 -1.297 -7.330 11.562 1.00 0.00 C ATOM 1430 O TRP A 95 -2.342 -7.706 12.103 1.00 0.00 O ATOM 1431 CB TRP A 95 0.799 -7.175 12.968 1.00 0.00 C ATOM 1432 CG TRP A 95 1.835 -7.927 13.782 1.00 0.00 C ATOM 1433 CD1 TRP A 95 2.249 -9.224 13.640 1.00 0.00 C ATOM 1434 CD2 TRP A 95 2.577 -7.391 14.884 1.00 0.00 C ATOM 1435 NE1 TRP A 95 3.200 -9.519 14.585 1.00 0.00 N ATOM 1436 CE2 TRP A 95 3.417 -8.409 15.359 1.00 0.00 C ATOM 1437 CE3 TRP A 95 2.605 -6.140 15.510 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 4.272 -8.223 16.443 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 3.466 -5.950 16.577 1.00 0.00 C ATOM 1440 CH2 TRP A 95 4.291 -6.988 17.032 1.00 0.00 C ATOM 0 H TRP A 95 1.765 -7.685 10.729 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.185 -9.005 12.288 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.292 -6.341 12.468 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.066 -6.748 13.653 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.882 -9.914 12.894 1.00 0.00 H new ATOM 0 HE1 TRP A 95 3.669 -10.418 14.693 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.967 -5.338 15.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.898 -9.025 16.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.503 -4.988 17.066 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.955 -6.809 17.865 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.250 -6.318 10.691 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.421 -5.473 10.381 1.00 0.00 C ATOM 1453 C VAL A 96 -3.329 -6.143 9.325 1.00 0.00 C ATOM 1454 O VAL A 96 -4.538 -5.871 9.262 1.00 0.00 O ATOM 1455 CB VAL A 96 -1.988 -4.015 9.977 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.210 -3.084 9.789 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -1.008 -3.411 11.026 1.00 0.00 C ATOM 0 H VAL A 96 -0.407 -6.057 10.180 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.018 -5.375 11.288 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.472 -4.089 9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.868 -2.087 9.511 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.852 -3.480 9.002 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.772 -3.028 10.722 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.725 -2.403 10.722 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.496 -3.372 12.000 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.116 -4.034 11.092 1.00 0.00 H new ATOM 1467 N LEU A 97 -2.755 -7.060 8.527 1.00 0.00 N ATOM 1468 CA LEU A 97 -3.549 -7.934 7.633 1.00 0.00 C ATOM 1469 C LEU A 97 -4.189 -9.096 8.427 1.00 0.00 C ATOM 1470 O LEU A 97 -5.189 -9.673 7.987 1.00 0.00 O ATOM 1471 CB LEU A 97 -2.678 -8.443 6.472 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.141 -7.329 5.525 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.114 -7.902 4.535 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -3.299 -6.578 4.823 1.00 0.00 C ATOM 0 H LEU A 97 -1.748 -7.218 8.480 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.364 -7.351 7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.830 -8.990 6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.260 -9.152 5.883 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.618 -6.586 6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.753 -7.106 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.276 -8.328 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.584 -8.679 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.890 -5.807 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.884 -7.282 4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.940 -6.115 5.573 1.00 0.00 H new ATOM 1486 N LYS A 98 -3.596 -9.435 9.598 1.00 0.00 N ATOM 1487 CA LYS A 98 -4.229 -10.349 10.580 1.00 0.00 C ATOM 1488 C LYS A 98 -5.382 -9.620 11.294 1.00 0.00 C ATOM 1489 O LYS A 98 -6.466 -10.192 11.486 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.187 -10.865 11.625 1.00 0.00 C ATOM 1491 CG LYS A 98 -2.049 -11.775 11.080 1.00 0.00 C ATOM 1492 CD LYS A 98 -2.518 -13.177 10.583 1.00 0.00 C ATOM 1493 CE LYS A 98 -3.001 -13.200 9.118 1.00 0.00 C ATOM 1494 NZ LYS A 98 -3.512 -14.538 8.733 1.00 0.00 N ATOM 0 H LYS A 98 -2.680 -9.089 9.885 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.621 -11.214 10.045 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.731 -10.000 12.107 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.723 -11.415 12.398 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.553 -11.260 10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.305 -11.913 11.865 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.695 -13.883 10.694 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.326 -13.526 11.226 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.786 -12.457 8.981 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.179 -12.920 8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.828 -14.517 7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.755 -15.243 8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.312 -14.794 9.346 1.00 0.00 H new ATOM 1508 N HIS A 99 -5.143 -8.329 11.587 1.00 0.00 N ATOM 1509 CA HIS A 99 -6.037 -7.480 12.391 1.00 0.00 C ATOM 1510 C HIS A 99 -5.354 -6.105 12.568 1.00 0.00 C ATOM 1511 O HIS A 99 -5.686 -5.156 11.854 1.00 0.00 O ATOM 1512 CB HIS A 99 -6.358 -8.140 13.771 1.00 0.00 C ATOM 1513 CG HIS A 99 -7.453 -7.463 14.565 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -8.789 -7.763 14.398 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -7.411 -6.517 15.533 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -9.512 -7.036 15.227 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -8.702 -6.271 15.927 1.00 0.00 N ATOM 0 H HIS A 99 -4.308 -7.839 11.265 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.992 -7.356 11.880 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -6.642 -9.179 13.603 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.448 -8.151 14.372 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.523 -6.043 15.924 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.588 -7.064 15.316 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -8.987 -5.605 16.645 1.00 0.00 H new