USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=21 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 37 GLN : amide:sc= 0.238 K(o=0.58,f=-0.2) USER MOD Set 1.2: A 38 ASN : amide:sc= 0.339 K(o=0.58,f=-0.16) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0.307 (180deg=0.211) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 22 CYS SG : rot -94:sc= -0.386 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc=-2.37e-05 X(o=-2.4e-05,f=-0.43) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 120:sc=-0.00846 USER MOD Single : A 35 LYS NZ :NH3+ 140:sc= 0.332 (180deg=0.0021) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.133 F(o=-0.66,f=-0.13) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 54 SER OG : rot -47:sc= 0.382 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= -0.561 (180deg=-0.708) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -149:sc= 0.612 (180deg=0.307) USER MOD Single : A 77 THR OG1 : rot 38:sc= 0.0765 USER MOD Single : A 78 MET CE :methyl -139:sc= -0.0403 (180deg=-1.2) USER MOD Single : A 80 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.11) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 152:sc= 0.233 (180deg=0) USER MOD Single : A 88 SER OG : rot -90:sc= -1.3 USER MOD Single : A 89 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.0452 X(o=0.045,f=0) USER MOD Single : A 93 MET CE :methyl -133:sc= -1.49 (180deg=-2.71!) USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= -0.0219 (180deg=-0.216) USER MOD Single : A 99 HIS : no HD1:sc=-0.00896 X(o=-0.009,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 10.831 -5.001 3.107 1.00 0.00 N ATOM 84 CA PHE A 11 10.654 -3.775 2.305 1.00 0.00 C ATOM 85 C PHE A 11 9.170 -3.566 1.958 1.00 0.00 C ATOM 86 O PHE A 11 8.674 -4.102 0.972 1.00 0.00 O ATOM 87 CB PHE A 11 11.532 -3.848 1.022 1.00 0.00 C ATOM 88 CG PHE A 11 13.023 -4.066 1.287 1.00 0.00 C ATOM 89 CD1 PHE A 11 13.658 -3.443 2.362 1.00 0.00 C ATOM 90 CD2 PHE A 11 13.781 -4.910 0.475 1.00 0.00 C ATOM 91 CE1 PHE A 11 14.998 -3.653 2.612 1.00 0.00 C ATOM 92 CE2 PHE A 11 15.123 -5.118 0.729 1.00 0.00 C ATOM 93 CZ PHE A 11 15.730 -4.491 1.799 1.00 0.00 C ATOM 0 HA PHE A 11 10.979 -2.916 2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.165 -4.658 0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.407 -2.924 0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.092 -2.787 3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.313 -5.407 -0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.474 -3.160 3.446 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.698 -5.772 0.090 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.778 -4.657 1.999 1.00 0.00 H new ATOM 103 N VAL A 12 8.460 -2.833 2.835 1.00 0.00 N ATOM 104 CA VAL A 12 7.023 -2.517 2.686 1.00 0.00 C ATOM 105 C VAL A 12 6.816 -1.018 2.984 1.00 0.00 C ATOM 106 O VAL A 12 7.501 -0.469 3.848 1.00 0.00 O ATOM 107 CB VAL A 12 6.122 -3.366 3.686 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.613 -3.148 3.418 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.472 -4.871 3.635 1.00 0.00 C ATOM 0 H VAL A 12 8.872 -2.437 3.680 1.00 0.00 H new ATOM 0 HA VAL A 12 6.723 -2.765 1.668 1.00 0.00 H new ATOM 0 HB VAL A 12 6.341 -3.006 4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.029 -3.744 4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.369 -2.093 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.377 -3.453 2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.835 -5.416 4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.311 -5.248 2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.517 -5.011 3.912 1.00 0.00 H new ATOM 119 N VAL A 13 5.947 -0.342 2.220 1.00 0.00 N ATOM 120 CA VAL A 13 5.406 0.988 2.585 1.00 0.00 C ATOM 121 C VAL A 13 3.935 0.874 3.006 1.00 0.00 C ATOM 122 O VAL A 13 3.292 -0.157 2.780 1.00 0.00 O ATOM 123 CB VAL A 13 5.541 2.025 1.402 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.023 2.314 1.092 1.00 0.00 C ATOM 125 CG2 VAL A 13 4.773 1.562 0.131 1.00 0.00 C ATOM 0 H VAL A 13 5.595 -0.696 1.330 1.00 0.00 H new ATOM 0 HA VAL A 13 5.997 1.355 3.424 1.00 0.00 H new ATOM 0 HB VAL A 13 5.077 2.956 1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.090 3.031 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.506 2.727 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.522 1.388 0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.893 2.305 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.173 0.606 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.715 1.450 0.366 1.00 0.00 H new ATOM 135 N LYS A 14 3.393 1.945 3.611 1.00 0.00 N ATOM 136 CA LYS A 14 1.978 2.021 3.989 1.00 0.00 C ATOM 137 C LYS A 14 1.362 3.208 3.248 1.00 0.00 C ATOM 138 O LYS A 14 1.787 4.347 3.419 1.00 0.00 O ATOM 139 CB LYS A 14 1.789 2.146 5.535 1.00 0.00 C ATOM 140 CG LYS A 14 0.367 1.760 6.063 1.00 0.00 C ATOM 141 CD LYS A 14 -0.721 2.844 5.873 1.00 0.00 C ATOM 142 CE LYS A 14 -0.489 4.056 6.779 1.00 0.00 C ATOM 143 NZ LYS A 14 -0.465 3.660 8.215 1.00 0.00 N ATOM 0 H LYS A 14 3.927 2.781 3.850 1.00 0.00 H new ATOM 0 HA LYS A 14 1.472 1.098 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.527 1.513 6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.003 3.173 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.043 0.850 5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.442 1.525 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.733 3.167 4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.700 2.415 6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.454 4.535 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.277 4.792 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.425 4.512 8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.325 3.120 8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.372 3.071 8.399 1.00 0.00 H new ATOM 157 N VAL A 15 0.322 2.921 2.477 1.00 0.00 N ATOM 158 CA VAL A 15 -0.299 3.849 1.539 1.00 0.00 C ATOM 159 C VAL A 15 -1.698 4.207 2.058 1.00 0.00 C ATOM 160 O VAL A 15 -2.523 3.323 2.260 1.00 0.00 O ATOM 161 CB VAL A 15 -0.390 3.188 0.117 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.875 4.185 -0.952 1.00 0.00 C ATOM 163 CG2 VAL A 15 0.968 2.556 -0.272 1.00 0.00 C ATOM 0 H VAL A 15 -0.128 2.006 2.487 1.00 0.00 H new ATOM 0 HA VAL A 15 0.300 4.756 1.455 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.136 2.395 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.923 3.686 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.865 4.553 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.180 5.023 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.888 2.102 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.737 3.328 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.236 1.792 0.458 1.00 0.00 H new ATOM 173 N ARG A 16 -1.958 5.504 2.253 1.00 0.00 N ATOM 174 CA ARG A 16 -3.233 5.992 2.813 1.00 0.00 C ATOM 175 C ARG A 16 -3.655 7.256 2.065 1.00 0.00 C ATOM 176 O ARG A 16 -2.816 7.955 1.517 1.00 0.00 O ATOM 177 CB ARG A 16 -3.129 6.218 4.348 1.00 0.00 C ATOM 178 CG ARG A 16 -2.272 7.420 4.792 1.00 0.00 C ATOM 179 CD ARG A 16 -2.006 7.444 6.310 1.00 0.00 C ATOM 180 NE ARG A 16 -3.237 7.278 7.110 1.00 0.00 N ATOM 181 CZ ARG A 16 -3.288 7.141 8.444 1.00 0.00 C ATOM 182 NH1 ARG A 16 -2.191 7.247 9.189 1.00 0.00 N ATOM 183 NH2 ARG A 16 -4.459 6.932 9.027 1.00 0.00 N ATOM 0 H ARG A 16 -1.296 6.247 2.029 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.005 5.235 2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.135 6.346 4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.719 5.316 4.802 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.320 7.395 4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.774 8.343 4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.304 6.650 6.564 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.530 8.388 6.576 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.123 7.267 6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.291 7.436 8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.250 7.140 10.202 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.307 6.877 8.463 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.513 6.826 10.040 1.00 0.00 H new ATOM 197 N GLY A 17 -4.957 7.542 2.047 1.00 0.00 N ATOM 198 CA GLY A 17 -5.518 8.567 1.149 1.00 0.00 C ATOM 199 C GLY A 17 -6.065 7.930 -0.120 1.00 0.00 C ATOM 200 O GLY A 17 -6.195 8.573 -1.166 1.00 0.00 O ATOM 0 H GLY A 17 -5.647 7.082 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.313 9.110 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.748 9.295 0.894 1.00 0.00 H new ATOM 204 N LEU A 18 -6.348 6.623 -0.009 1.00 0.00 N ATOM 205 CA LEU A 18 -6.937 5.817 -1.075 1.00 0.00 C ATOM 206 C LEU A 18 -8.469 5.910 -0.977 1.00 0.00 C ATOM 207 O LEU A 18 -8.991 5.878 0.136 1.00 0.00 O ATOM 208 CB LEU A 18 -6.465 4.346 -0.917 1.00 0.00 C ATOM 209 CG LEU A 18 -4.915 4.145 -0.907 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.539 2.668 -0.662 1.00 0.00 C ATOM 211 CD2 LEU A 18 -4.282 4.687 -2.208 1.00 0.00 C ATOM 0 H LEU A 18 -6.168 6.092 0.843 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.622 6.183 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.874 3.947 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.887 3.756 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.507 4.720 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.454 2.564 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.935 2.347 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.962 2.049 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.203 4.536 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.699 4.156 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.497 5.752 -2.301 1.00 0.00 H new ATOM 223 N PRO A 19 -9.212 6.049 -2.124 1.00 0.00 N ATOM 224 CA PRO A 19 -10.706 6.078 -2.120 1.00 0.00 C ATOM 225 C PRO A 19 -11.319 4.707 -1.748 1.00 0.00 C ATOM 226 O PRO A 19 -10.664 3.671 -1.888 1.00 0.00 O ATOM 227 CB PRO A 19 -11.051 6.479 -3.577 1.00 0.00 C ATOM 228 CG PRO A 19 -9.881 5.988 -4.383 1.00 0.00 C ATOM 229 CD PRO A 19 -8.666 6.205 -3.508 1.00 0.00 C ATOM 0 HA PRO A 19 -11.110 6.764 -1.375 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.982 6.019 -3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.177 7.557 -3.674 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.996 4.935 -4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.792 6.537 -5.320 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.883 5.476 -3.717 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.231 7.193 -3.661 1.00 0.00 H new ATOM 237 N TRP A 20 -12.574 4.725 -1.259 1.00 0.00 N ATOM 238 CA TRP A 20 -13.359 3.510 -0.912 1.00 0.00 C ATOM 239 C TRP A 20 -13.401 2.495 -2.085 1.00 0.00 C ATOM 240 O TRP A 20 -13.352 1.276 -1.881 1.00 0.00 O ATOM 241 CB TRP A 20 -14.811 3.917 -0.495 1.00 0.00 C ATOM 242 CG TRP A 20 -15.682 4.439 -1.636 1.00 0.00 C ATOM 243 CD1 TRP A 20 -16.692 3.761 -2.270 1.00 0.00 C ATOM 244 CD2 TRP A 20 -15.588 5.719 -2.303 1.00 0.00 C ATOM 245 NE1 TRP A 20 -17.221 4.530 -3.267 1.00 0.00 N ATOM 246 CE2 TRP A 20 -16.571 5.735 -3.307 1.00 0.00 C ATOM 247 CE3 TRP A 20 -14.783 6.859 -2.141 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -16.759 6.828 -4.154 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -14.969 7.940 -2.981 1.00 0.00 C ATOM 250 CH2 TRP A 20 -15.952 7.918 -3.976 1.00 0.00 C ATOM 0 H TRP A 20 -13.084 5.592 -1.089 1.00 0.00 H new ATOM 0 HA TRP A 20 -12.863 3.020 -0.074 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -15.302 3.052 -0.048 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.751 4.684 0.278 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -17.021 2.764 -2.017 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -17.982 4.250 -3.886 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.028 6.890 -1.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -17.516 6.814 -4.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -14.346 8.815 -2.868 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.076 8.779 -4.616 1.00 0.00 H new ATOM 261 N SER A 21 -13.456 3.043 -3.309 1.00 0.00 N ATOM 262 CA SER A 21 -13.605 2.286 -4.555 1.00 0.00 C ATOM 263 C SER A 21 -12.242 1.955 -5.197 1.00 0.00 C ATOM 264 O SER A 21 -12.196 1.592 -6.375 1.00 0.00 O ATOM 265 CB SER A 21 -14.486 3.123 -5.513 1.00 0.00 C ATOM 266 OG SER A 21 -13.986 4.447 -5.659 1.00 0.00 O ATOM 0 H SER A 21 -13.396 4.050 -3.460 1.00 0.00 H new ATOM 0 HA SER A 21 -14.078 1.327 -4.344 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.526 2.639 -6.489 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.507 3.158 -5.133 1.00 0.00 H new ATOM 0 HG SER A 21 -14.564 4.949 -6.271 1.00 0.00 H new ATOM 272 N CYS A 22 -11.133 2.054 -4.416 1.00 0.00 N ATOM 273 CA CYS A 22 -9.773 1.746 -4.895 1.00 0.00 C ATOM 274 C CYS A 22 -9.606 0.240 -5.198 1.00 0.00 C ATOM 275 O CYS A 22 -10.413 -0.591 -4.774 1.00 0.00 O ATOM 276 CB CYS A 22 -8.730 2.198 -3.844 1.00 0.00 C ATOM 277 SG CYS A 22 -7.006 2.054 -4.374 1.00 0.00 S ATOM 0 H CYS A 22 -11.165 2.349 -3.440 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.611 2.291 -5.825 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -8.928 3.237 -3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.868 1.607 -2.939 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.525 0.912 -3.981 1.00 0.00 H new ATOM 283 N SER A 23 -8.513 -0.074 -5.902 1.00 0.00 N ATOM 284 CA SER A 23 -8.161 -1.432 -6.358 1.00 0.00 C ATOM 285 C SER A 23 -6.640 -1.545 -6.455 1.00 0.00 C ATOM 286 O SER A 23 -5.939 -0.520 -6.457 1.00 0.00 O ATOM 287 CB SER A 23 -8.808 -1.745 -7.730 1.00 0.00 C ATOM 288 OG SER A 23 -10.221 -1.726 -7.642 1.00 0.00 O ATOM 0 H SER A 23 -7.826 0.627 -6.181 1.00 0.00 H new ATOM 0 HA SER A 23 -8.542 -2.157 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.476 -1.014 -8.467 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.475 -2.723 -8.078 1.00 0.00 H new ATOM 0 HG SER A 23 -10.606 -1.925 -8.521 1.00 0.00 H new ATOM 294 N ALA A 24 -6.131 -2.796 -6.511 1.00 0.00 N ATOM 295 CA ALA A 24 -4.689 -3.075 -6.660 1.00 0.00 C ATOM 296 C ALA A 24 -4.103 -2.341 -7.879 1.00 0.00 C ATOM 297 O ALA A 24 -3.047 -1.732 -7.778 1.00 0.00 O ATOM 298 CB ALA A 24 -4.436 -4.591 -6.741 1.00 0.00 C ATOM 0 H ALA A 24 -6.707 -3.636 -6.454 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.176 -2.696 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.367 -4.776 -6.851 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.796 -5.069 -5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.966 -5.003 -7.600 1.00 0.00 H new ATOM 304 N ASP A 25 -4.838 -2.386 -9.006 1.00 0.00 N ATOM 305 CA ASP A 25 -4.494 -1.664 -10.253 1.00 0.00 C ATOM 306 C ASP A 25 -4.324 -0.133 -10.052 1.00 0.00 C ATOM 307 O ASP A 25 -3.401 0.451 -10.624 1.00 0.00 O ATOM 308 CB ASP A 25 -5.561 -1.973 -11.331 1.00 0.00 C ATOM 309 CG ASP A 25 -5.313 -1.272 -12.681 1.00 0.00 C ATOM 310 OD1 ASP A 25 -4.353 -1.641 -13.390 1.00 0.00 O ATOM 311 OD2 ASP A 25 -6.072 -0.346 -13.034 1.00 0.00 O ATOM 0 H ASP A 25 -5.698 -2.930 -9.081 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.519 -2.022 -10.583 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.596 -3.050 -11.494 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.540 -1.676 -10.954 1.00 0.00 H new ATOM 316 N GLU A 26 -5.200 0.500 -9.229 1.00 0.00 N ATOM 317 CA GLU A 26 -5.097 1.952 -8.906 1.00 0.00 C ATOM 318 C GLU A 26 -3.710 2.289 -8.318 1.00 0.00 C ATOM 319 O GLU A 26 -3.021 3.212 -8.775 1.00 0.00 O ATOM 320 CB GLU A 26 -6.177 2.373 -7.872 1.00 0.00 C ATOM 321 CG GLU A 26 -7.637 2.180 -8.318 1.00 0.00 C ATOM 322 CD GLU A 26 -8.048 3.062 -9.507 1.00 0.00 C ATOM 323 OE1 GLU A 26 -8.118 4.297 -9.344 1.00 0.00 O ATOM 324 OE2 GLU A 26 -8.300 2.528 -10.607 1.00 0.00 O ATOM 0 H GLU A 26 -5.985 0.031 -8.777 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.248 2.496 -9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.018 1.805 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.027 3.424 -7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.790 1.134 -8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.295 2.394 -7.476 1.00 0.00 H new ATOM 331 N VAL A 27 -3.310 1.468 -7.343 1.00 0.00 N ATOM 332 CA VAL A 27 -2.086 1.661 -6.555 1.00 0.00 C ATOM 333 C VAL A 27 -0.851 1.129 -7.323 1.00 0.00 C ATOM 334 O VAL A 27 0.272 1.586 -7.102 1.00 0.00 O ATOM 335 CB VAL A 27 -2.252 0.954 -5.159 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.002 1.103 -4.269 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.509 1.490 -4.431 1.00 0.00 C ATOM 0 H VAL A 27 -3.835 0.636 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.923 2.726 -6.387 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.377 -0.112 -5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.170 0.597 -3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.143 0.657 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.808 2.160 -4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.611 0.992 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.409 2.564 -4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.393 1.292 -5.037 1.00 0.00 H new ATOM 347 N GLN A 28 -1.092 0.201 -8.266 1.00 0.00 N ATOM 348 CA GLN A 28 -0.037 -0.398 -9.102 1.00 0.00 C ATOM 349 C GLN A 28 0.480 0.632 -10.107 1.00 0.00 C ATOM 350 O GLN A 28 1.693 0.822 -10.254 1.00 0.00 O ATOM 351 CB GLN A 28 -0.578 -1.656 -9.830 1.00 0.00 C ATOM 352 CG GLN A 28 0.492 -2.483 -10.565 1.00 0.00 C ATOM 353 CD GLN A 28 -0.068 -3.746 -11.211 1.00 0.00 C ATOM 354 OE1 GLN A 28 -1.226 -3.784 -11.622 1.00 0.00 O ATOM 355 NE2 GLN A 28 0.745 -4.782 -11.319 1.00 0.00 N ATOM 0 H GLN A 28 -2.026 -0.155 -8.470 1.00 0.00 H new ATOM 0 HA GLN A 28 0.792 -0.705 -8.464 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.075 -2.296 -9.101 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.335 -1.345 -10.550 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.957 -1.865 -11.333 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.276 -2.759 -9.861 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.701 -4.719 -10.968 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.417 -5.645 -11.753 1.00 0.00 H new ATOM 364 N ARG A 29 -0.473 1.297 -10.786 1.00 0.00 N ATOM 365 CA ARG A 29 -0.183 2.406 -11.702 1.00 0.00 C ATOM 366 C ARG A 29 0.430 3.592 -10.935 1.00 0.00 C ATOM 367 O ARG A 29 1.348 4.243 -11.437 1.00 0.00 O ATOM 368 CB ARG A 29 -1.465 2.851 -12.453 1.00 0.00 C ATOM 369 CG ARG A 29 -2.131 1.744 -13.309 1.00 0.00 C ATOM 370 CD ARG A 29 -3.300 2.270 -14.159 1.00 0.00 C ATOM 371 NE ARG A 29 -3.982 1.199 -14.924 1.00 0.00 N ATOM 372 CZ ARG A 29 -3.969 1.061 -16.263 1.00 0.00 C ATOM 373 NH1 ARG A 29 -3.212 1.840 -17.023 1.00 0.00 N ATOM 374 NH2 ARG A 29 -4.711 0.129 -16.834 1.00 0.00 N ATOM 0 H ARG A 29 -1.466 1.077 -10.712 1.00 0.00 H new ATOM 0 HA ARG A 29 0.540 2.058 -12.439 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.190 3.213 -11.724 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.217 3.692 -13.100 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.383 1.299 -13.965 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.492 0.952 -12.653 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.023 2.762 -13.509 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.928 3.025 -14.852 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.507 0.507 -14.389 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.627 2.558 -16.595 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.214 1.722 -18.036 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.291 -0.483 -16.261 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.704 0.022 -17.848 1.00 0.00 H new ATOM 388 N PHE A 30 -0.070 3.853 -9.706 1.00 0.00 N ATOM 389 CA PHE A 30 0.409 4.969 -8.860 1.00 0.00 C ATOM 390 C PHE A 30 1.899 4.787 -8.500 1.00 0.00 C ATOM 391 O PHE A 30 2.690 5.723 -8.617 1.00 0.00 O ATOM 392 CB PHE A 30 -0.459 5.066 -7.575 1.00 0.00 C ATOM 393 CG PHE A 30 -0.244 6.331 -6.737 1.00 0.00 C ATOM 394 CD1 PHE A 30 -0.970 7.491 -6.999 1.00 0.00 C ATOM 395 CD2 PHE A 30 0.669 6.360 -5.684 1.00 0.00 C ATOM 396 CE1 PHE A 30 -0.788 8.625 -6.236 1.00 0.00 C ATOM 397 CE2 PHE A 30 0.849 7.493 -4.922 1.00 0.00 C ATOM 398 CZ PHE A 30 0.120 8.625 -5.199 1.00 0.00 C ATOM 0 H PHE A 30 -0.811 3.300 -9.275 1.00 0.00 H new ATOM 0 HA PHE A 30 0.314 5.899 -9.421 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.510 5.013 -7.860 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.254 4.196 -6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.684 7.502 -7.809 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.247 5.476 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.359 9.516 -6.452 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.561 7.492 -4.110 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.259 9.515 -4.604 1.00 0.00 H new ATOM 408 N PHE A 31 2.261 3.564 -8.079 1.00 0.00 N ATOM 409 CA PHE A 31 3.649 3.191 -7.725 1.00 0.00 C ATOM 410 C PHE A 31 4.328 2.450 -8.892 1.00 0.00 C ATOM 411 O PHE A 31 5.100 1.515 -8.675 1.00 0.00 O ATOM 412 CB PHE A 31 3.663 2.316 -6.440 1.00 0.00 C ATOM 413 CG PHE A 31 3.232 3.045 -5.173 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.158 3.725 -4.386 1.00 0.00 C ATOM 415 CD2 PHE A 31 1.904 3.059 -4.773 1.00 0.00 C ATOM 416 CE1 PHE A 31 3.764 4.394 -3.243 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.515 3.724 -3.634 1.00 0.00 C ATOM 418 CZ PHE A 31 2.445 4.393 -2.871 1.00 0.00 C ATOM 0 H PHE A 31 1.597 2.797 -7.972 1.00 0.00 H new ATOM 0 HA PHE A 31 4.211 4.104 -7.529 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.006 1.459 -6.592 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.670 1.924 -6.294 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.199 3.730 -4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.165 2.540 -5.365 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.494 4.917 -2.644 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.477 3.721 -3.337 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.135 4.917 -1.979 1.00 0.00 H new ATOM 428 N SER A 32 4.048 2.889 -10.131 1.00 0.00 N ATOM 429 CA SER A 32 4.712 2.354 -11.339 1.00 0.00 C ATOM 430 C SER A 32 6.226 2.713 -11.341 1.00 0.00 C ATOM 431 O SER A 32 7.048 1.977 -11.901 1.00 0.00 O ATOM 432 CB SER A 32 4.008 2.903 -12.594 1.00 0.00 C ATOM 433 OG SER A 32 4.470 2.294 -13.790 1.00 0.00 O ATOM 0 H SER A 32 3.362 3.618 -10.326 1.00 0.00 H new ATOM 0 HA SER A 32 4.635 1.267 -11.340 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.934 2.745 -12.502 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.168 3.980 -12.654 1.00 0.00 H new ATOM 0 HG SER A 32 3.992 2.675 -14.556 1.00 0.00 H new ATOM 439 N ASP A 33 6.567 3.859 -10.700 1.00 0.00 N ATOM 440 CA ASP A 33 7.966 4.320 -10.457 1.00 0.00 C ATOM 441 C ASP A 33 8.737 3.376 -9.493 1.00 0.00 C ATOM 442 O ASP A 33 9.961 3.468 -9.355 1.00 0.00 O ATOM 443 CB ASP A 33 7.913 5.763 -9.873 1.00 0.00 C ATOM 444 CG ASP A 33 9.291 6.393 -9.593 1.00 0.00 C ATOM 445 OD1 ASP A 33 9.967 6.819 -10.554 1.00 0.00 O ATOM 446 OD2 ASP A 33 9.698 6.476 -8.414 1.00 0.00 O ATOM 0 H ASP A 33 5.868 4.503 -10.329 1.00 0.00 H new ATOM 0 HA ASP A 33 8.506 4.308 -11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.370 6.403 -10.569 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.341 5.744 -8.945 1.00 0.00 H new ATOM 451 N CYS A 34 8.010 2.454 -8.855 1.00 0.00 N ATOM 452 CA CYS A 34 8.562 1.517 -7.874 1.00 0.00 C ATOM 453 C CYS A 34 8.291 0.080 -8.340 1.00 0.00 C ATOM 454 O CYS A 34 7.216 -0.209 -8.874 1.00 0.00 O ATOM 455 CB CYS A 34 7.917 1.803 -6.500 1.00 0.00 C ATOM 456 SG CYS A 34 8.033 3.540 -5.998 1.00 0.00 S ATOM 0 H CYS A 34 7.008 2.336 -9.008 1.00 0.00 H new ATOM 0 HA CYS A 34 9.641 1.641 -7.781 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.867 1.511 -6.532 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.398 1.181 -5.745 1.00 0.00 H new ATOM 0 HG CYS A 34 6.838 4.026 -5.836 1.00 0.00 H new ATOM 462 N LYS A 35 9.276 -0.812 -8.161 1.00 0.00 N ATOM 463 CA LYS A 35 9.120 -2.249 -8.441 1.00 0.00 C ATOM 464 C LYS A 35 8.414 -2.879 -7.236 1.00 0.00 C ATOM 465 O LYS A 35 9.051 -3.219 -6.229 1.00 0.00 O ATOM 466 CB LYS A 35 10.470 -2.986 -8.722 1.00 0.00 C ATOM 467 CG LYS A 35 11.221 -2.575 -10.015 1.00 0.00 C ATOM 468 CD LYS A 35 11.954 -1.222 -9.890 1.00 0.00 C ATOM 469 CE LYS A 35 12.893 -0.920 -11.063 1.00 0.00 C ATOM 470 NZ LYS A 35 13.688 0.311 -10.807 1.00 0.00 N ATOM 0 H LYS A 35 10.203 -0.559 -7.818 1.00 0.00 H new ATOM 0 HA LYS A 35 8.536 -2.356 -9.355 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.134 -2.820 -7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.272 -4.057 -8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.944 -3.350 -10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.509 -2.520 -10.839 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.215 -0.424 -9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.529 -1.215 -8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.564 -1.764 -11.223 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.311 -0.798 -11.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.663 0.171 -11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.260 1.112 -11.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.698 0.512 -9.787 1.00 0.00 H new ATOM 484 N ILE A 36 7.083 -2.932 -7.331 1.00 0.00 N ATOM 485 CA ILE A 36 6.227 -3.560 -6.323 1.00 0.00 C ATOM 486 C ILE A 36 6.451 -5.085 -6.357 1.00 0.00 C ATOM 487 O ILE A 36 6.688 -5.643 -7.442 1.00 0.00 O ATOM 488 CB ILE A 36 4.712 -3.221 -6.590 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.504 -1.678 -6.766 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.815 -3.767 -5.454 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.089 -1.271 -7.162 1.00 0.00 C ATOM 0 H ILE A 36 6.566 -2.537 -8.116 1.00 0.00 H new ATOM 0 HA ILE A 36 6.487 -3.174 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 36 4.419 -3.710 -7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.763 -1.180 -5.831 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.198 -1.315 -7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.774 -3.520 -5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.926 -4.850 -5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.113 -3.317 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.037 -0.187 -7.262 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.830 -1.736 -8.113 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.388 -1.599 -6.395 1.00 0.00 H new ATOM 503 N GLN A 37 6.402 -5.731 -5.174 1.00 0.00 N ATOM 504 CA GLN A 37 6.558 -7.193 -5.031 1.00 0.00 C ATOM 505 C GLN A 37 5.550 -7.922 -5.940 1.00 0.00 C ATOM 506 O GLN A 37 4.354 -7.952 -5.638 1.00 0.00 O ATOM 507 CB GLN A 37 6.390 -7.592 -3.530 1.00 0.00 C ATOM 508 CG GLN A 37 6.473 -9.111 -3.181 1.00 0.00 C ATOM 509 CD GLN A 37 5.121 -9.864 -3.226 1.00 0.00 C ATOM 510 OE1 GLN A 37 4.758 -10.465 -4.227 1.00 0.00 O ATOM 511 NE2 GLN A 37 4.359 -9.795 -2.151 1.00 0.00 N ATOM 0 H GLN A 37 6.252 -5.251 -4.287 1.00 0.00 H new ATOM 0 HA GLN A 37 7.557 -7.494 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.155 -7.071 -2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.425 -7.219 -3.188 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.163 -9.591 -3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.899 -9.217 -2.183 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.683 -9.288 -1.328 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.446 -10.249 -2.143 1.00 0.00 H new ATOM 520 N ASN A 38 6.055 -8.400 -7.101 1.00 0.00 N ATOM 521 CA ASN A 38 5.261 -9.140 -8.108 1.00 0.00 C ATOM 522 C ASN A 38 4.001 -8.344 -8.546 1.00 0.00 C ATOM 523 O ASN A 38 2.940 -8.925 -8.811 1.00 0.00 O ATOM 524 CB ASN A 38 4.900 -10.541 -7.545 1.00 0.00 C ATOM 525 CG ASN A 38 6.123 -11.445 -7.321 1.00 0.00 C ATOM 526 OD1 ASN A 38 6.524 -12.215 -8.192 1.00 0.00 O ATOM 527 ND2 ASN A 38 6.740 -11.328 -6.152 1.00 0.00 N ATOM 0 H ASN A 38 7.033 -8.282 -7.367 1.00 0.00 H new ATOM 0 HA ASN A 38 5.861 -9.270 -9.008 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.370 -10.419 -6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.214 -11.035 -8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.571 -11.886 -5.956 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.383 -10.680 -5.449 1.00 0.00 H new ATOM 534 N GLY A 39 4.150 -7.002 -8.610 1.00 0.00 N ATOM 535 CA GLY A 39 3.057 -6.092 -8.973 1.00 0.00 C ATOM 536 C GLY A 39 1.904 -6.128 -7.971 1.00 0.00 C ATOM 537 O GLY A 39 2.118 -5.886 -6.787 1.00 0.00 O ATOM 0 H GLY A 39 5.031 -6.527 -8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.443 -5.075 -9.040 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.682 -6.357 -9.962 1.00 0.00 H new ATOM 541 N ALA A 40 0.693 -6.462 -8.449 1.00 0.00 N ATOM 542 CA ALA A 40 -0.526 -6.569 -7.605 1.00 0.00 C ATOM 543 C ALA A 40 -0.346 -7.483 -6.374 1.00 0.00 C ATOM 544 O ALA A 40 -1.020 -7.286 -5.355 1.00 0.00 O ATOM 545 CB ALA A 40 -1.705 -7.081 -8.448 1.00 0.00 C ATOM 0 H ALA A 40 0.524 -6.667 -9.434 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.726 -5.565 -7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.594 -7.157 -7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.895 -6.387 -9.267 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.463 -8.063 -8.854 1.00 0.00 H new ATOM 551 N GLN A 41 0.562 -8.474 -6.475 1.00 0.00 N ATOM 552 CA GLN A 41 0.737 -9.504 -5.428 1.00 0.00 C ATOM 553 C GLN A 41 1.332 -8.916 -4.120 1.00 0.00 C ATOM 554 O GLN A 41 1.178 -9.501 -3.038 1.00 0.00 O ATOM 555 CB GLN A 41 1.624 -10.660 -5.965 1.00 0.00 C ATOM 556 CG GLN A 41 1.544 -11.964 -5.148 1.00 0.00 C ATOM 557 CD GLN A 41 0.196 -12.683 -5.294 1.00 0.00 C ATOM 558 OE1 GLN A 41 -0.820 -12.211 -4.583 1.00 0.00 O flip ATOM 559 NE2 GLN A 41 0.052 -13.595 -6.110 1.00 0.00 N flip ATOM 0 H GLN A 41 1.188 -8.584 -7.273 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.250 -9.894 -5.179 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.335 -10.874 -6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.661 -10.324 -5.988 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.343 -12.634 -5.465 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.717 -11.738 -4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.854 -13.935 -6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.869 -14.009 -6.254 1.00 0.00 H new ATOM 568 N GLY A 42 2.001 -7.762 -4.240 1.00 0.00 N ATOM 569 CA GLY A 42 2.541 -7.034 -3.081 1.00 0.00 C ATOM 570 C GLY A 42 1.546 -6.059 -2.464 1.00 0.00 C ATOM 571 O GLY A 42 1.686 -5.684 -1.297 1.00 0.00 O ATOM 0 H GLY A 42 2.183 -7.308 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.853 -7.752 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.433 -6.487 -3.388 1.00 0.00 H new ATOM 575 N ILE A 43 0.530 -5.646 -3.246 1.00 0.00 N ATOM 576 CA ILE A 43 -0.429 -4.603 -2.837 1.00 0.00 C ATOM 577 C ILE A 43 -1.548 -5.220 -1.971 1.00 0.00 C ATOM 578 O ILE A 43 -2.417 -5.938 -2.473 1.00 0.00 O ATOM 579 CB ILE A 43 -1.038 -3.885 -4.094 1.00 0.00 C ATOM 580 CG1 ILE A 43 0.104 -3.360 -5.015 1.00 0.00 C ATOM 581 CG2 ILE A 43 -1.999 -2.738 -3.682 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.360 -2.764 -6.323 1.00 0.00 C ATOM 0 H ILE A 43 0.352 -6.025 -4.176 1.00 0.00 H new ATOM 0 HA ILE A 43 0.101 -3.858 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.628 -4.612 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.673 -2.607 -4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.786 -4.183 -5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.402 -2.263 -4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.817 -3.145 -3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.454 -2.000 -3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.504 -2.426 -6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.902 -3.518 -6.894 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.017 -1.917 -6.124 1.00 0.00 H new ATOM 594 N ARG A 44 -1.506 -4.921 -0.667 1.00 0.00 N ATOM 595 CA ARG A 44 -2.361 -5.572 0.345 1.00 0.00 C ATOM 596 C ARG A 44 -3.144 -4.529 1.154 1.00 0.00 C ATOM 597 O ARG A 44 -2.617 -3.957 2.103 1.00 0.00 O ATOM 598 CB ARG A 44 -1.478 -6.450 1.271 1.00 0.00 C ATOM 599 CG ARG A 44 -0.736 -7.591 0.542 1.00 0.00 C ATOM 600 CD ARG A 44 0.212 -8.357 1.471 1.00 0.00 C ATOM 601 NE ARG A 44 0.803 -9.544 0.826 1.00 0.00 N ATOM 602 CZ ARG A 44 1.706 -10.347 1.395 1.00 0.00 C ATOM 603 NH1 ARG A 44 2.187 -10.087 2.601 1.00 0.00 N ATOM 604 NH2 ARG A 44 2.150 -11.401 0.754 1.00 0.00 N ATOM 0 H ARG A 44 -0.877 -4.219 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.091 -6.207 -0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.745 -5.813 1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.105 -6.880 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.464 -8.283 0.120 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.168 -7.178 -0.292 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.010 -7.691 1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.332 -8.666 2.364 1.00 0.00 H new ATOM 0 HE ARG A 44 0.501 -9.768 -0.122 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.868 -9.263 3.110 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.876 -10.711 3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.806 -11.610 -0.183 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.840 -12.011 1.192 1.00 0.00 H new ATOM 618 N PHE A 45 -4.411 -4.293 0.780 1.00 0.00 N ATOM 619 CA PHE A 45 -5.262 -3.270 1.420 1.00 0.00 C ATOM 620 C PHE A 45 -5.755 -3.725 2.790 1.00 0.00 C ATOM 621 O PHE A 45 -5.905 -4.927 3.043 1.00 0.00 O ATOM 622 CB PHE A 45 -6.486 -2.929 0.542 1.00 0.00 C ATOM 623 CG PHE A 45 -6.122 -2.344 -0.812 1.00 0.00 C ATOM 624 CD1 PHE A 45 -5.865 -3.173 -1.898 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.037 -0.966 -0.999 1.00 0.00 C ATOM 626 CE1 PHE A 45 -5.534 -2.644 -3.117 1.00 0.00 C ATOM 627 CE2 PHE A 45 -5.706 -0.444 -2.224 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.458 -1.279 -3.282 1.00 0.00 C ATOM 0 H PHE A 45 -4.876 -4.802 0.028 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.641 -2.383 1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.077 -3.833 0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.119 -2.220 1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.927 -4.245 -1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.234 -0.301 -0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.332 -3.299 -3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.641 0.626 -2.355 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.203 -0.866 -4.247 1.00 0.00 H new ATOM 638 N ILE A 46 -6.001 -2.743 3.668 1.00 0.00 N ATOM 639 CA ILE A 46 -6.763 -2.941 4.895 1.00 0.00 C ATOM 640 C ILE A 46 -8.251 -3.005 4.509 1.00 0.00 C ATOM 641 O ILE A 46 -8.919 -1.981 4.423 1.00 0.00 O ATOM 642 CB ILE A 46 -6.477 -1.772 5.922 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.950 -1.705 6.263 1.00 0.00 C ATOM 644 CG2 ILE A 46 -7.339 -1.899 7.204 1.00 0.00 C ATOM 645 CD1 ILE A 46 -4.367 -2.994 6.812 1.00 0.00 C ATOM 0 H ILE A 46 -5.672 -1.786 3.540 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.470 -3.868 5.388 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.764 -0.835 5.445 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.402 -1.429 5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.788 -0.910 6.991 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.109 -1.075 7.880 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.395 -1.865 6.937 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.120 -2.846 7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.306 -2.854 7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.884 -3.264 7.733 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.492 -3.791 6.079 1.00 0.00 H new ATOM 657 N TYR A 47 -8.718 -4.210 4.149 1.00 0.00 N ATOM 658 CA TYR A 47 -10.130 -4.446 3.805 1.00 0.00 C ATOM 659 C TYR A 47 -10.983 -4.402 5.076 1.00 0.00 C ATOM 660 O TYR A 47 -10.518 -4.777 6.157 1.00 0.00 O ATOM 661 CB TYR A 47 -10.313 -5.796 3.065 1.00 0.00 C ATOM 662 CG TYR A 47 -9.569 -5.862 1.719 1.00 0.00 C ATOM 663 CD1 TYR A 47 -10.054 -5.185 0.591 1.00 0.00 C ATOM 664 CD2 TYR A 47 -8.393 -6.601 1.575 1.00 0.00 C ATOM 665 CE1 TYR A 47 -9.391 -5.250 -0.622 1.00 0.00 C ATOM 666 CE2 TYR A 47 -7.728 -6.667 0.366 1.00 0.00 C ATOM 667 CZ TYR A 47 -8.231 -5.990 -0.729 1.00 0.00 C ATOM 668 OH TYR A 47 -7.568 -6.060 -1.939 1.00 0.00 O ATOM 0 H TYR A 47 -8.133 -5.043 4.088 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.458 -3.658 3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.961 -6.604 3.706 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.376 -5.966 2.893 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.960 -4.603 0.670 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.995 -7.132 2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.780 -4.724 -1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.820 -7.245 0.277 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.770 -6.620 -1.843 1.00 0.00 H new ATOM 678 N THR A 48 -12.227 -3.943 4.942 1.00 0.00 N ATOM 679 CA THR A 48 -13.150 -3.772 6.064 1.00 0.00 C ATOM 680 C THR A 48 -14.255 -4.840 5.966 1.00 0.00 C ATOM 681 O THR A 48 -14.265 -5.648 5.021 1.00 0.00 O ATOM 682 CB THR A 48 -13.745 -2.320 6.077 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.609 -2.134 7.207 1.00 0.00 O ATOM 684 CG2 THR A 48 -14.508 -1.978 4.790 1.00 0.00 C ATOM 0 H THR A 48 -12.627 -3.677 4.042 1.00 0.00 H new ATOM 0 HA THR A 48 -12.617 -3.903 7.005 1.00 0.00 H new ATOM 0 HB THR A 48 -12.894 -1.643 6.147 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.968 -1.222 7.198 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.897 -0.962 4.857 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.834 -2.054 3.937 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.336 -2.675 4.662 1.00 0.00 H new ATOM 692 N ARG A 49 -15.202 -4.817 6.918 1.00 0.00 N ATOM 693 CA ARG A 49 -16.326 -5.786 6.980 1.00 0.00 C ATOM 694 C ARG A 49 -17.422 -5.451 5.947 1.00 0.00 C ATOM 695 O ARG A 49 -18.393 -6.197 5.801 1.00 0.00 O ATOM 696 CB ARG A 49 -16.895 -5.851 8.427 1.00 0.00 C ATOM 697 CG ARG A 49 -15.846 -6.169 9.533 1.00 0.00 C ATOM 698 CD ARG A 49 -15.249 -7.602 9.470 1.00 0.00 C ATOM 699 NE ARG A 49 -14.474 -7.872 8.233 1.00 0.00 N ATOM 700 CZ ARG A 49 -13.154 -7.650 8.053 1.00 0.00 C ATOM 701 NH1 ARG A 49 -12.391 -7.197 9.035 1.00 0.00 N ATOM 702 NH2 ARG A 49 -12.609 -7.878 6.869 1.00 0.00 N ATOM 0 H ARG A 49 -15.216 -4.128 7.670 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.945 -6.773 6.719 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -17.367 -4.896 8.659 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -17.677 -6.610 8.460 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.032 -5.448 9.461 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -16.312 -6.027 10.508 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.602 -7.755 10.334 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.059 -8.327 9.546 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.988 -8.263 7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.798 -7.008 9.951 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.396 -7.037 8.876 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.185 -8.219 6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.613 -7.713 6.726 1.00 0.00 H new ATOM 716 N GLU A 50 -17.233 -4.339 5.214 1.00 0.00 N ATOM 717 CA GLU A 50 -18.076 -3.932 4.072 1.00 0.00 C ATOM 718 C GLU A 50 -17.528 -4.548 2.762 1.00 0.00 C ATOM 719 O GLU A 50 -18.246 -4.658 1.764 1.00 0.00 O ATOM 720 CB GLU A 50 -18.073 -2.378 3.997 1.00 0.00 C ATOM 721 CG GLU A 50 -18.832 -1.748 2.810 1.00 0.00 C ATOM 722 CD GLU A 50 -18.726 -0.215 2.794 1.00 0.00 C ATOM 723 OE1 GLU A 50 -17.716 0.315 2.292 1.00 0.00 O ATOM 724 OE2 GLU A 50 -19.633 0.472 3.307 1.00 0.00 O ATOM 0 H GLU A 50 -16.474 -3.684 5.402 1.00 0.00 H new ATOM 0 HA GLU A 50 -19.097 -4.290 4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -18.501 -1.990 4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -17.038 -2.040 3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.436 -2.147 1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.882 -2.036 2.859 1.00 0.00 H new ATOM 731 N GLY A 51 -16.245 -4.966 2.796 1.00 0.00 N ATOM 732 CA GLY A 51 -15.566 -5.525 1.626 1.00 0.00 C ATOM 733 C GLY A 51 -14.978 -4.452 0.718 1.00 0.00 C ATOM 734 O GLY A 51 -15.134 -4.501 -0.505 1.00 0.00 O ATOM 0 H GLY A 51 -15.662 -4.923 3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.769 -6.191 1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.271 -6.130 1.057 1.00 0.00 H new ATOM 738 N ARG A 52 -14.295 -3.473 1.335 1.00 0.00 N ATOM 739 CA ARG A 52 -13.616 -2.357 0.631 1.00 0.00 C ATOM 740 C ARG A 52 -12.313 -1.987 1.367 1.00 0.00 C ATOM 741 O ARG A 52 -12.174 -2.304 2.550 1.00 0.00 O ATOM 742 CB ARG A 52 -14.535 -1.093 0.529 1.00 0.00 C ATOM 743 CG ARG A 52 -15.660 -1.163 -0.531 1.00 0.00 C ATOM 744 CD ARG A 52 -16.388 0.182 -0.699 1.00 0.00 C ATOM 745 NE ARG A 52 -17.441 0.138 -1.733 1.00 0.00 N ATOM 746 CZ ARG A 52 -18.700 0.576 -1.586 1.00 0.00 C ATOM 747 NH1 ARG A 52 -19.148 0.998 -0.403 1.00 0.00 N ATOM 748 NH2 ARG A 52 -19.506 0.578 -2.629 1.00 0.00 N ATOM 0 H ARG A 52 -14.194 -3.428 2.349 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.389 -2.694 -0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.990 -0.918 1.504 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.909 -0.228 0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.236 -1.466 -1.488 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.380 -1.930 -0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.832 0.471 0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.662 0.953 -0.959 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.189 -0.260 -2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.530 0.991 0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.109 1.328 -0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.170 0.249 -3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.466 0.908 -2.531 1.00 0.00 H new ATOM 762 N PRO A 53 -11.321 -1.344 0.667 1.00 0.00 N ATOM 763 CA PRO A 53 -10.175 -0.680 1.338 1.00 0.00 C ATOM 764 C PRO A 53 -10.659 0.395 2.355 1.00 0.00 C ATOM 765 O PRO A 53 -11.564 1.182 2.046 1.00 0.00 O ATOM 766 CB PRO A 53 -9.383 -0.046 0.158 1.00 0.00 C ATOM 767 CG PRO A 53 -9.762 -0.865 -1.038 1.00 0.00 C ATOM 768 CD PRO A 53 -11.203 -1.270 -0.817 1.00 0.00 C ATOM 0 HA PRO A 53 -9.568 -1.368 1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.649 1.002 0.021 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.309 -0.081 0.338 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.654 -0.289 -1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.119 -1.740 -1.133 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.894 -0.540 -1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.427 -2.228 -1.286 1.00 0.00 H new ATOM 776 N SER A 54 -10.046 0.417 3.549 1.00 0.00 N ATOM 777 CA SER A 54 -10.450 1.278 4.682 1.00 0.00 C ATOM 778 C SER A 54 -9.535 2.522 4.770 1.00 0.00 C ATOM 779 O SER A 54 -9.200 3.006 5.864 1.00 0.00 O ATOM 780 CB SER A 54 -10.398 0.425 5.980 1.00 0.00 C ATOM 781 OG SER A 54 -10.887 1.134 7.104 1.00 0.00 O ATOM 0 H SER A 54 -9.241 -0.172 3.762 1.00 0.00 H new ATOM 0 HA SER A 54 -11.466 1.647 4.539 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.986 -0.482 5.841 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.370 0.114 6.168 1.00 0.00 H new ATOM 0 HG SER A 54 -10.490 2.030 7.123 1.00 0.00 H new ATOM 787 N GLY A 55 -9.148 3.043 3.594 1.00 0.00 N ATOM 788 CA GLY A 55 -8.295 4.230 3.482 1.00 0.00 C ATOM 789 C GLY A 55 -6.815 3.880 3.394 1.00 0.00 C ATOM 790 O GLY A 55 -6.077 4.479 2.604 1.00 0.00 O ATOM 0 H GLY A 55 -9.421 2.649 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.584 4.798 2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.462 4.876 4.344 1.00 0.00 H new ATOM 794 N GLU A 56 -6.401 2.885 4.198 1.00 0.00 N ATOM 795 CA GLU A 56 -4.998 2.453 4.334 1.00 0.00 C ATOM 796 C GLU A 56 -4.759 1.120 3.605 1.00 0.00 C ATOM 797 O GLU A 56 -5.691 0.332 3.375 1.00 0.00 O ATOM 798 CB GLU A 56 -4.635 2.325 5.838 1.00 0.00 C ATOM 799 CG GLU A 56 -4.651 3.665 6.598 1.00 0.00 C ATOM 800 CD GLU A 56 -4.459 3.510 8.112 1.00 0.00 C ATOM 801 OE1 GLU A 56 -3.319 3.240 8.557 1.00 0.00 O ATOM 802 OE2 GLU A 56 -5.445 3.652 8.867 1.00 0.00 O ATOM 0 H GLU A 56 -7.043 2.349 4.782 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.355 3.203 3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.336 1.640 6.314 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.644 1.880 5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.864 4.307 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.598 4.170 6.409 1.00 0.00 H new ATOM 809 N ALA A 57 -3.498 0.915 3.227 1.00 0.00 N ATOM 810 CA ALA A 57 -2.991 -0.316 2.612 1.00 0.00 C ATOM 811 C ALA A 57 -1.509 -0.480 2.958 1.00 0.00 C ATOM 812 O ALA A 57 -0.867 0.469 3.374 1.00 0.00 O ATOM 813 CB ALA A 57 -3.167 -0.267 1.082 1.00 0.00 C ATOM 0 H ALA A 57 -2.774 1.624 3.344 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.556 -1.165 2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.785 -1.188 0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.225 -0.160 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.616 0.583 0.679 1.00 0.00 H new ATOM 819 N PHE A 58 -0.989 -1.691 2.813 1.00 0.00 N ATOM 820 CA PHE A 58 0.444 -1.991 2.908 1.00 0.00 C ATOM 821 C PHE A 58 0.905 -2.612 1.578 1.00 0.00 C ATOM 822 O PHE A 58 0.476 -3.707 1.215 1.00 0.00 O ATOM 823 CB PHE A 58 0.712 -2.958 4.081 1.00 0.00 C ATOM 824 CG PHE A 58 0.551 -2.344 5.467 1.00 0.00 C ATOM 825 CD1 PHE A 58 -0.699 -2.249 6.078 1.00 0.00 C ATOM 826 CD2 PHE A 58 1.659 -1.866 6.162 1.00 0.00 C ATOM 827 CE1 PHE A 58 -0.831 -1.695 7.334 1.00 0.00 C ATOM 828 CE2 PHE A 58 1.525 -1.316 7.419 1.00 0.00 C ATOM 829 CZ PHE A 58 0.282 -1.228 8.005 1.00 0.00 C ATOM 0 H PHE A 58 -1.559 -2.515 2.622 1.00 0.00 H new ATOM 0 HA PHE A 58 1.003 -1.074 3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.035 -3.808 3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.726 -3.348 3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.574 -2.614 5.561 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.638 -1.927 5.710 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.806 -1.626 7.793 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.396 -0.954 7.945 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.178 -0.794 8.989 1.00 0.00 H new ATOM 839 N VAL A 59 1.758 -1.886 0.854 1.00 0.00 N ATOM 840 CA VAL A 59 2.279 -2.296 -0.453 1.00 0.00 C ATOM 841 C VAL A 59 3.746 -2.695 -0.296 1.00 0.00 C ATOM 842 O VAL A 59 4.560 -1.890 0.160 1.00 0.00 O ATOM 843 CB VAL A 59 2.119 -1.119 -1.483 1.00 0.00 C ATOM 844 CG1 VAL A 59 2.778 -1.432 -2.854 1.00 0.00 C ATOM 845 CG2 VAL A 59 0.618 -0.761 -1.651 1.00 0.00 C ATOM 0 H VAL A 59 2.113 -0.981 1.164 1.00 0.00 H new ATOM 0 HA VAL A 59 1.719 -3.151 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 59 2.648 -0.255 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.638 -0.586 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.844 -1.611 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.316 -2.320 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.516 0.055 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.075 -1.633 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.207 -0.454 -0.689 1.00 0.00 H new ATOM 855 N GLU A 60 4.071 -3.945 -0.653 1.00 0.00 N ATOM 856 CA GLU A 60 5.435 -4.478 -0.550 1.00 0.00 C ATOM 857 C GLU A 60 6.227 -4.126 -1.815 1.00 0.00 C ATOM 858 O GLU A 60 5.647 -3.896 -2.877 1.00 0.00 O ATOM 859 CB GLU A 60 5.415 -6.008 -0.337 1.00 0.00 C ATOM 860 CG GLU A 60 4.618 -6.485 0.892 1.00 0.00 C ATOM 861 CD GLU A 60 4.935 -7.940 1.256 1.00 0.00 C ATOM 862 OE1 GLU A 60 4.346 -8.851 0.654 1.00 0.00 O ATOM 863 OE2 GLU A 60 5.816 -8.182 2.118 1.00 0.00 O ATOM 0 H GLU A 60 3.395 -4.615 -1.021 1.00 0.00 H new ATOM 0 HA GLU A 60 5.921 -4.024 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.997 -6.478 -1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.442 -6.360 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.844 -5.842 1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.551 -6.386 0.692 1.00 0.00 H new ATOM 870 N LEU A 61 7.559 -4.098 -1.681 1.00 0.00 N ATOM 871 CA LEU A 61 8.487 -3.708 -2.759 1.00 0.00 C ATOM 872 C LEU A 61 9.699 -4.655 -2.767 1.00 0.00 C ATOM 873 O LEU A 61 10.026 -5.283 -1.751 1.00 0.00 O ATOM 874 CB LEU A 61 8.947 -2.214 -2.627 1.00 0.00 C ATOM 875 CG LEU A 61 7.797 -1.145 -2.475 1.00 0.00 C ATOM 876 CD1 LEU A 61 7.478 -0.849 -0.994 1.00 0.00 C ATOM 877 CD2 LEU A 61 8.088 0.146 -3.256 1.00 0.00 C ATOM 0 H LEU A 61 8.032 -4.348 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 61 7.957 -3.793 -3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.607 -2.133 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.539 -1.958 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 61 6.906 -1.588 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.681 -0.108 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.158 -1.767 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.370 -0.463 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.266 0.848 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.012 0.593 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.193 -0.086 -4.316 1.00 0.00 H new ATOM 889 N GLU A 62 10.349 -4.740 -3.935 1.00 0.00 N ATOM 890 CA GLU A 62 11.461 -5.666 -4.181 1.00 0.00 C ATOM 891 C GLU A 62 12.789 -5.153 -3.566 1.00 0.00 C ATOM 892 O GLU A 62 13.662 -5.958 -3.209 1.00 0.00 O ATOM 893 CB GLU A 62 11.580 -5.909 -5.713 1.00 0.00 C ATOM 894 CG GLU A 62 12.571 -7.019 -6.123 1.00 0.00 C ATOM 895 CD GLU A 62 12.517 -7.357 -7.623 1.00 0.00 C ATOM 896 OE1 GLU A 62 11.600 -8.104 -8.040 1.00 0.00 O ATOM 897 OE2 GLU A 62 13.380 -6.881 -8.396 1.00 0.00 O ATOM 0 H GLU A 62 10.115 -4.163 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 62 11.255 -6.615 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.594 -6.161 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.883 -4.977 -6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.583 -6.707 -5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.357 -7.919 -5.547 1.00 0.00 H new ATOM 904 N SER A 63 12.926 -3.815 -3.410 1.00 0.00 N ATOM 905 CA SER A 63 14.171 -3.191 -2.898 1.00 0.00 C ATOM 906 C SER A 63 13.886 -1.938 -2.041 1.00 0.00 C ATOM 907 O SER A 63 12.861 -1.270 -2.216 1.00 0.00 O ATOM 908 CB SER A 63 15.098 -2.825 -4.076 1.00 0.00 C ATOM 909 OG SER A 63 15.381 -3.957 -4.887 1.00 0.00 O ATOM 0 H SER A 63 12.189 -3.146 -3.632 1.00 0.00 H new ATOM 0 HA SER A 63 14.662 -3.921 -2.255 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.629 -2.050 -4.682 1.00 0.00 H new ATOM 0 HB3 SER A 63 16.029 -2.409 -3.692 1.00 0.00 H new ATOM 0 HG SER A 63 15.969 -3.692 -5.625 1.00 0.00 H new ATOM 915 N GLU A 64 14.829 -1.640 -1.113 1.00 0.00 N ATOM 916 CA GLU A 64 14.782 -0.464 -0.215 1.00 0.00 C ATOM 917 C GLU A 64 14.836 0.854 -1.019 1.00 0.00 C ATOM 918 O GLU A 64 14.287 1.864 -0.595 1.00 0.00 O ATOM 919 CB GLU A 64 15.962 -0.533 0.817 1.00 0.00 C ATOM 920 CG GLU A 64 15.676 0.073 2.218 1.00 0.00 C ATOM 921 CD GLU A 64 15.486 1.601 2.258 1.00 0.00 C ATOM 922 OE1 GLU A 64 16.495 2.328 2.275 1.00 0.00 O ATOM 923 OE2 GLU A 64 14.328 2.076 2.275 1.00 0.00 O ATOM 0 H GLU A 64 15.655 -2.220 -0.967 1.00 0.00 H new ATOM 0 HA GLU A 64 13.836 -0.481 0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.246 -1.578 0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.823 -0.019 0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.779 -0.397 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.499 -0.190 2.882 1.00 0.00 H new ATOM 930 N ASP A 65 15.525 0.838 -2.169 1.00 0.00 N ATOM 931 CA ASP A 65 15.608 2.017 -3.066 1.00 0.00 C ATOM 932 C ASP A 65 14.215 2.389 -3.575 1.00 0.00 C ATOM 933 O ASP A 65 13.800 3.545 -3.508 1.00 0.00 O ATOM 934 CB ASP A 65 16.603 1.755 -4.230 1.00 0.00 C ATOM 935 CG ASP A 65 18.082 1.830 -3.802 1.00 0.00 C ATOM 936 OD1 ASP A 65 18.413 1.403 -2.674 1.00 0.00 O ATOM 937 OD2 ASP A 65 18.917 2.325 -4.584 1.00 0.00 O ATOM 0 H ASP A 65 16.037 0.023 -2.507 1.00 0.00 H new ATOM 0 HA ASP A 65 15.993 2.867 -2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.405 0.770 -4.653 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.424 2.483 -5.021 1.00 0.00 H new ATOM 942 N GLU A 66 13.518 1.374 -4.062 1.00 0.00 N ATOM 943 CA GLU A 66 12.104 1.459 -4.452 1.00 0.00 C ATOM 944 C GLU A 66 11.188 1.908 -3.290 1.00 0.00 C ATOM 945 O GLU A 66 10.208 2.622 -3.530 1.00 0.00 O ATOM 946 CB GLU A 66 11.665 0.096 -5.049 1.00 0.00 C ATOM 947 CG GLU A 66 12.094 -0.123 -6.516 1.00 0.00 C ATOM 948 CD GLU A 66 13.568 0.183 -6.864 1.00 0.00 C ATOM 949 OE1 GLU A 66 14.461 -0.424 -6.251 1.00 0.00 O ATOM 950 OE2 GLU A 66 13.829 1.014 -7.764 1.00 0.00 O ATOM 0 H GLU A 66 13.920 0.447 -4.203 1.00 0.00 H new ATOM 0 HA GLU A 66 12.000 2.234 -5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.080 -0.706 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.580 0.017 -4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.892 -1.162 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.460 0.495 -7.151 1.00 0.00 H new ATOM 957 N VAL A 67 11.501 1.490 -2.041 1.00 0.00 N ATOM 958 CA VAL A 67 10.776 1.965 -0.842 1.00 0.00 C ATOM 959 C VAL A 67 10.939 3.494 -0.695 1.00 0.00 C ATOM 960 O VAL A 67 9.957 4.199 -0.532 1.00 0.00 O ATOM 961 CB VAL A 67 11.269 1.242 0.466 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.614 1.830 1.743 1.00 0.00 C ATOM 963 CG2 VAL A 67 11.019 -0.281 0.383 1.00 0.00 C ATOM 0 H VAL A 67 12.249 0.827 -1.839 1.00 0.00 H new ATOM 0 HA VAL A 67 9.722 1.722 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 67 12.342 1.418 0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.985 1.299 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.864 2.888 1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.532 1.717 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.368 -0.758 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.952 -0.468 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.560 -0.693 -0.469 1.00 0.00 H new ATOM 973 N LYS A 68 12.197 3.971 -0.765 1.00 0.00 N ATOM 974 CA LYS A 68 12.538 5.416 -0.717 1.00 0.00 C ATOM 975 C LYS A 68 11.824 6.236 -1.824 1.00 0.00 C ATOM 976 O LYS A 68 11.414 7.378 -1.585 1.00 0.00 O ATOM 977 CB LYS A 68 14.084 5.607 -0.792 1.00 0.00 C ATOM 978 CG LYS A 68 14.846 5.040 0.431 1.00 0.00 C ATOM 979 CD LYS A 68 16.373 5.303 0.394 1.00 0.00 C ATOM 980 CE LYS A 68 17.119 4.464 -0.658 1.00 0.00 C ATOM 981 NZ LYS A 68 17.132 3.022 -0.327 1.00 0.00 N ATOM 0 H LYS A 68 13.013 3.366 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 68 12.176 5.802 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.457 5.124 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.305 6.670 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.433 5.478 1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.673 3.965 0.489 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.546 6.360 0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.793 5.093 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.649 4.606 -1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.145 4.823 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.758 2.520 -0.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.480 2.892 0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.168 2.639 -0.404 1.00 0.00 H new ATOM 995 N LEU A 69 11.678 5.640 -3.024 1.00 0.00 N ATOM 996 CA LEU A 69 10.927 6.248 -4.152 1.00 0.00 C ATOM 997 C LEU A 69 9.421 6.353 -3.823 1.00 0.00 C ATOM 998 O LEU A 69 8.768 7.359 -4.132 1.00 0.00 O ATOM 999 CB LEU A 69 11.129 5.412 -5.446 1.00 0.00 C ATOM 1000 CG LEU A 69 12.593 5.294 -5.970 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.673 4.382 -7.214 1.00 0.00 C ATOM 1002 CD2 LEU A 69 13.212 6.688 -6.238 1.00 0.00 C ATOM 0 H LEU A 69 12.074 4.726 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 69 11.315 7.254 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.747 4.407 -5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.517 5.849 -6.235 1.00 0.00 H new ATOM 0 HG LEU A 69 13.187 4.824 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.707 4.321 -7.554 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.316 3.385 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.053 4.796 -8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.232 6.569 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.618 7.212 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.222 7.266 -5.314 1.00 0.00 H new ATOM 1014 N ALA A 70 8.889 5.285 -3.218 1.00 0.00 N ATOM 1015 CA ALA A 70 7.493 5.222 -2.740 1.00 0.00 C ATOM 1016 C ALA A 70 7.229 6.293 -1.654 1.00 0.00 C ATOM 1017 O ALA A 70 6.170 6.924 -1.642 1.00 0.00 O ATOM 1018 CB ALA A 70 7.187 3.803 -2.225 1.00 0.00 C ATOM 0 H ALA A 70 9.416 4.429 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 70 6.821 5.440 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.157 3.758 -1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.326 3.085 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.862 3.560 -1.404 1.00 0.00 H new ATOM 1024 N LEU A 71 8.214 6.487 -0.752 1.00 0.00 N ATOM 1025 CA LEU A 71 8.202 7.555 0.285 1.00 0.00 C ATOM 1026 C LEU A 71 8.171 8.969 -0.324 1.00 0.00 C ATOM 1027 O LEU A 71 7.729 9.910 0.326 1.00 0.00 O ATOM 1028 CB LEU A 71 9.434 7.417 1.234 1.00 0.00 C ATOM 1029 CG LEU A 71 9.540 6.080 2.026 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.762 6.066 2.966 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.236 5.788 2.787 1.00 0.00 C ATOM 0 H LEU A 71 9.050 5.904 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 71 7.284 7.422 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.340 7.537 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.410 8.239 1.949 1.00 0.00 H new ATOM 0 HG LEU A 71 9.690 5.279 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.800 5.116 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.673 6.189 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.679 6.882 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.335 4.849 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.036 6.597 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.411 5.711 2.079 1.00 0.00 H new ATOM 1043 N LYS A 72 8.635 9.107 -1.575 1.00 0.00 N ATOM 1044 CA LYS A 72 8.605 10.397 -2.299 1.00 0.00 C ATOM 1045 C LYS A 72 7.222 10.674 -2.915 1.00 0.00 C ATOM 1046 O LYS A 72 6.998 11.746 -3.486 1.00 0.00 O ATOM 1047 CB LYS A 72 9.724 10.456 -3.361 1.00 0.00 C ATOM 1048 CG LYS A 72 11.134 10.456 -2.742 1.00 0.00 C ATOM 1049 CD LYS A 72 12.256 10.629 -3.783 1.00 0.00 C ATOM 1050 CE LYS A 72 13.651 10.681 -3.130 1.00 0.00 C ATOM 1051 NZ LYS A 72 14.719 10.921 -4.130 1.00 0.00 N ATOM 0 H LYS A 72 9.038 8.340 -2.113 1.00 0.00 H new ATOM 0 HA LYS A 72 8.791 11.189 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.627 9.603 -4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.598 11.354 -3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.201 11.259 -2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.287 9.520 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.220 9.804 -4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.087 11.545 -4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.672 11.471 -2.380 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.844 9.743 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.642 10.949 -3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.716 10.154 -4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.549 11.829 -4.608 1.00 0.00 H new ATOM 1065 N LYS A 73 6.308 9.695 -2.800 1.00 0.00 N ATOM 1066 CA LYS A 73 4.880 9.847 -3.161 1.00 0.00 C ATOM 1067 C LYS A 73 4.005 10.150 -1.924 1.00 0.00 C ATOM 1068 O LYS A 73 2.778 10.185 -2.039 1.00 0.00 O ATOM 1069 CB LYS A 73 4.396 8.563 -3.880 1.00 0.00 C ATOM 1070 CG LYS A 73 5.115 8.309 -5.219 1.00 0.00 C ATOM 1071 CD LYS A 73 4.744 6.958 -5.859 1.00 0.00 C ATOM 1072 CE LYS A 73 5.347 6.796 -7.258 1.00 0.00 C ATOM 1073 NZ LYS A 73 4.751 7.761 -8.220 1.00 0.00 N ATOM 0 H LYS A 73 6.538 8.765 -2.451 1.00 0.00 H new ATOM 0 HA LYS A 73 4.781 10.699 -3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.551 7.707 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.323 8.637 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.870 9.112 -5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.192 8.344 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.092 6.147 -5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.659 6.873 -5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.426 6.946 -7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.182 5.778 -7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.740 7.341 -9.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.778 7.985 -7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.318 8.633 -8.233 1.00 0.00 H new ATOM 1087 N ASP A 74 4.656 10.333 -0.747 1.00 0.00 N ATOM 1088 CA ASP A 74 4.055 10.829 0.536 1.00 0.00 C ATOM 1089 C ASP A 74 2.986 11.970 0.443 1.00 0.00 C ATOM 1090 O ASP A 74 2.263 12.211 1.415 1.00 0.00 O ATOM 1091 CB ASP A 74 5.237 11.245 1.470 1.00 0.00 C ATOM 1092 CG ASP A 74 4.840 11.882 2.819 1.00 0.00 C ATOM 1093 OD1 ASP A 74 4.403 11.145 3.734 1.00 0.00 O ATOM 1094 OD2 ASP A 74 4.973 13.128 2.966 1.00 0.00 O ATOM 0 H ASP A 74 5.652 10.134 -0.653 1.00 0.00 H new ATOM 0 HA ASP A 74 3.465 10.002 0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.843 10.362 1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.870 11.949 0.930 1.00 0.00 H new ATOM 1099 N ARG A 75 2.835 12.632 -0.716 1.00 0.00 N ATOM 1100 CA ARG A 75 1.848 13.741 -0.907 1.00 0.00 C ATOM 1101 C ARG A 75 1.253 13.732 -2.333 1.00 0.00 C ATOM 1102 O ARG A 75 0.286 14.451 -2.589 1.00 0.00 O ATOM 1103 CB ARG A 75 2.482 15.127 -0.565 1.00 0.00 C ATOM 1104 CG ARG A 75 2.813 15.304 0.942 1.00 0.00 C ATOM 1105 CD ARG A 75 3.607 16.569 1.283 1.00 0.00 C ATOM 1106 NE ARG A 75 4.082 16.529 2.685 1.00 0.00 N ATOM 1107 CZ ARG A 75 3.958 17.511 3.597 1.00 0.00 C ATOM 1108 NH1 ARG A 75 3.340 18.655 3.303 1.00 0.00 N ATOM 1109 NH2 ARG A 75 4.465 17.350 4.806 1.00 0.00 N ATOM 0 H ARG A 75 3.384 12.425 -1.551 1.00 0.00 H new ATOM 0 HA ARG A 75 1.027 13.571 -0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.395 15.253 -1.146 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.797 15.917 -0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.880 15.315 1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.379 14.435 1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.458 16.663 0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.981 17.449 1.131 1.00 0.00 H new ATOM 0 HE ARG A 75 4.548 15.674 2.989 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.950 18.799 2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.257 19.386 4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.948 16.484 5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.373 18.092 5.500 1.00 0.00 H new ATOM 1123 N GLU A 76 1.853 12.936 -3.258 1.00 0.00 N ATOM 1124 CA GLU A 76 1.355 12.749 -4.649 1.00 0.00 C ATOM 1125 C GLU A 76 -0.145 12.348 -4.673 1.00 0.00 C ATOM 1126 O GLU A 76 -0.590 11.539 -3.857 1.00 0.00 O ATOM 1127 CB GLU A 76 2.222 11.676 -5.369 1.00 0.00 C ATOM 1128 CG GLU A 76 1.891 11.448 -6.861 1.00 0.00 C ATOM 1129 CD GLU A 76 2.759 10.354 -7.519 1.00 0.00 C ATOM 1130 OE1 GLU A 76 3.945 10.619 -7.811 1.00 0.00 O ATOM 1131 OE2 GLU A 76 2.267 9.227 -7.742 1.00 0.00 O ATOM 0 H GLU A 76 2.700 12.403 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 76 1.441 13.699 -5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.270 11.965 -5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.110 10.729 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.840 11.174 -6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.026 12.384 -7.403 1.00 0.00 H new ATOM 1138 N THR A 77 -0.897 12.916 -5.629 1.00 0.00 N ATOM 1139 CA THR A 77 -2.366 12.812 -5.691 1.00 0.00 C ATOM 1140 C THR A 77 -2.836 11.635 -6.569 1.00 0.00 C ATOM 1141 O THR A 77 -2.407 11.506 -7.716 1.00 0.00 O ATOM 1142 CB THR A 77 -2.974 14.147 -6.245 1.00 0.00 C ATOM 1143 OG1 THR A 77 -2.342 14.484 -7.491 1.00 0.00 O ATOM 1144 CG2 THR A 77 -2.800 15.316 -5.262 1.00 0.00 C ATOM 0 H THR A 77 -0.499 13.467 -6.390 1.00 0.00 H new ATOM 0 HA THR A 77 -2.717 12.629 -4.675 1.00 0.00 H new ATOM 0 HB THR A 77 -4.042 13.984 -6.388 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.172 13.666 -8.004 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.236 16.219 -5.689 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.301 15.080 -4.323 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.739 15.479 -5.075 1.00 0.00 H new ATOM 1152 N MET A 78 -3.715 10.777 -6.009 1.00 0.00 N ATOM 1153 CA MET A 78 -4.470 9.770 -6.781 1.00 0.00 C ATOM 1154 C MET A 78 -5.840 10.371 -7.158 1.00 0.00 C ATOM 1155 O MET A 78 -6.738 10.483 -6.310 1.00 0.00 O ATOM 1156 CB MET A 78 -4.647 8.448 -5.975 1.00 0.00 C ATOM 1157 CG MET A 78 -5.454 7.342 -6.697 1.00 0.00 C ATOM 1158 SD MET A 78 -5.543 5.791 -5.763 1.00 0.00 S ATOM 1159 CE MET A 78 -3.832 5.254 -5.787 1.00 0.00 C ATOM 0 H MET A 78 -3.920 10.764 -5.010 1.00 0.00 H new ATOM 0 HA MET A 78 -3.914 9.517 -7.684 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.660 8.055 -5.730 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.141 8.679 -5.031 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.465 7.704 -6.884 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.000 7.147 -7.669 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.791 4.178 -5.954 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.301 5.766 -6.589 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.363 5.491 -4.832 1.00 0.00 H new ATOM 1169 N GLY A 79 -5.957 10.794 -8.426 1.00 0.00 N ATOM 1170 CA GLY A 79 -7.188 11.383 -8.960 1.00 0.00 C ATOM 1171 C GLY A 79 -7.497 12.767 -8.393 1.00 0.00 C ATOM 1172 O GLY A 79 -7.041 13.777 -8.930 1.00 0.00 O ATOM 0 H GLY A 79 -5.200 10.736 -9.107 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.107 11.453 -10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.023 10.716 -8.745 1.00 0.00 H new ATOM 1176 N HIS A 80 -8.250 12.802 -7.282 1.00 0.00 N ATOM 1177 CA HIS A 80 -8.749 14.048 -6.656 1.00 0.00 C ATOM 1178 C HIS A 80 -8.238 14.192 -5.201 1.00 0.00 C ATOM 1179 O HIS A 80 -8.445 15.230 -4.567 1.00 0.00 O ATOM 1180 CB HIS A 80 -10.308 14.057 -6.716 1.00 0.00 C ATOM 1181 CG HIS A 80 -10.963 15.277 -6.099 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -11.666 15.232 -4.913 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -10.990 16.573 -6.497 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -12.093 16.444 -4.607 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -11.696 17.271 -5.551 1.00 0.00 N ATOM 0 H HIS A 80 -8.535 11.959 -6.784 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.365 14.906 -7.208 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.617 13.985 -7.759 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.682 13.167 -6.210 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.540 16.979 -7.391 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.669 16.710 -3.733 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -11.884 18.273 -5.575 1.00 0.00 H new ATOM 1194 N ARG A 81 -7.524 13.176 -4.694 1.00 0.00 N ATOM 1195 CA ARG A 81 -7.113 13.121 -3.275 1.00 0.00 C ATOM 1196 C ARG A 81 -5.594 12.953 -3.153 1.00 0.00 C ATOM 1197 O ARG A 81 -4.977 12.301 -3.989 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.847 11.963 -2.550 1.00 0.00 C ATOM 1199 CG ARG A 81 -7.636 11.947 -1.019 1.00 0.00 C ATOM 1200 CD ARG A 81 -8.451 10.866 -0.308 1.00 0.00 C ATOM 1201 NE ARG A 81 -8.274 10.939 1.154 1.00 0.00 N ATOM 1202 CZ ARG A 81 -9.121 10.447 2.057 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -10.220 9.812 1.676 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -8.864 10.598 3.343 1.00 0.00 N ATOM 0 H ARG A 81 -7.216 12.375 -5.246 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.388 14.063 -2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.914 12.036 -2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.505 11.014 -2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.578 11.793 -0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.905 12.922 -0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.506 10.981 -0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.145 9.883 -0.665 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.435 11.404 1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.424 9.696 0.683 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.862 9.439 2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.021 11.089 3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.509 10.224 4.039 1.00 0.00 H new ATOM 1218 N TYR A 82 -5.021 13.530 -2.080 1.00 0.00 N ATOM 1219 CA TYR A 82 -3.589 13.407 -1.748 1.00 0.00 C ATOM 1220 C TYR A 82 -3.367 12.052 -1.067 1.00 0.00 C ATOM 1221 O TYR A 82 -4.217 11.603 -0.290 1.00 0.00 O ATOM 1222 CB TYR A 82 -3.144 14.569 -0.808 1.00 0.00 C ATOM 1223 CG TYR A 82 -3.110 15.952 -1.487 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -4.288 16.620 -1.841 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -1.896 16.576 -1.800 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -4.255 17.852 -2.474 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -1.860 17.800 -2.437 1.00 0.00 C ATOM 1228 CZ TYR A 82 -3.037 18.435 -2.773 1.00 0.00 C ATOM 1229 OH TYR A 82 -2.995 19.649 -3.424 1.00 0.00 O ATOM 0 H TYR A 82 -5.543 14.099 -1.414 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.991 13.468 -2.657 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.822 14.612 0.045 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.152 14.345 -0.416 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.242 16.166 -1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.968 16.089 -1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.175 18.354 -2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.911 18.260 -2.672 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.062 19.917 -3.556 1.00 0.00 H new ATOM 1239 N VAL A 83 -2.248 11.394 -1.377 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.898 10.087 -0.802 1.00 0.00 C ATOM 1241 C VAL A 83 -0.645 10.239 0.064 1.00 0.00 C ATOM 1242 O VAL A 83 0.381 10.710 -0.419 1.00 0.00 O ATOM 1243 CB VAL A 83 -1.661 9.014 -1.930 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -1.131 7.676 -1.360 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -2.949 8.785 -2.757 1.00 0.00 C ATOM 0 H VAL A 83 -1.555 11.751 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.728 9.739 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.891 9.412 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.983 6.967 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.183 7.848 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.854 7.270 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.758 8.040 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.745 8.432 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.253 9.722 -3.224 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.761 9.838 1.341 1.00 0.00 N ATOM 1256 CA GLU A 84 0.347 9.814 2.303 1.00 0.00 C ATOM 1257 C GLU A 84 0.952 8.407 2.331 1.00 0.00 C ATOM 1258 O GLU A 84 0.236 7.411 2.495 1.00 0.00 O ATOM 1259 CB GLU A 84 -0.151 10.196 3.718 1.00 0.00 C ATOM 1260 CG GLU A 84 -0.852 11.558 3.824 1.00 0.00 C ATOM 1261 CD GLU A 84 -1.442 11.799 5.224 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -0.713 12.269 6.128 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -2.635 11.497 5.437 1.00 0.00 O ATOM 0 H GLU A 84 -1.644 9.516 1.738 1.00 0.00 H new ATOM 0 HA GLU A 84 1.101 10.539 1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.839 9.424 4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.701 10.191 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.141 12.350 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.648 11.614 3.081 1.00 0.00 H new ATOM 1270 N VAL A 85 2.275 8.344 2.183 1.00 0.00 N ATOM 1271 CA VAL A 85 3.011 7.080 2.056 1.00 0.00 C ATOM 1272 C VAL A 85 4.128 7.065 3.097 1.00 0.00 C ATOM 1273 O VAL A 85 5.030 7.908 3.063 1.00 0.00 O ATOM 1274 CB VAL A 85 3.614 6.860 0.617 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.243 5.443 0.487 1.00 0.00 C ATOM 1276 CG2 VAL A 85 2.554 7.104 -0.486 1.00 0.00 C ATOM 0 H VAL A 85 2.872 9.170 2.147 1.00 0.00 H new ATOM 0 HA VAL A 85 2.308 6.264 2.222 1.00 0.00 H new ATOM 0 HB VAL A 85 4.407 7.594 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.652 5.317 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.041 5.330 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.478 4.687 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.005 6.943 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.723 6.412 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.188 8.128 -0.419 1.00 0.00 H new ATOM 1286 N PHE A 86 4.062 6.088 4.007 1.00 0.00 N ATOM 1287 CA PHE A 86 4.995 5.927 5.131 1.00 0.00 C ATOM 1288 C PHE A 86 5.785 4.639 4.912 1.00 0.00 C ATOM 1289 O PHE A 86 5.541 3.928 3.945 1.00 0.00 O ATOM 1290 CB PHE A 86 4.215 5.904 6.473 1.00 0.00 C ATOM 1291 CG PHE A 86 3.477 7.212 6.746 1.00 0.00 C ATOM 1292 CD1 PHE A 86 2.173 7.411 6.292 1.00 0.00 C ATOM 1293 CD2 PHE A 86 4.097 8.250 7.445 1.00 0.00 C ATOM 1294 CE1 PHE A 86 1.521 8.604 6.516 1.00 0.00 C ATOM 1295 CE2 PHE A 86 3.442 9.442 7.671 1.00 0.00 C ATOM 1296 CZ PHE A 86 2.151 9.619 7.208 1.00 0.00 C ATOM 0 H PHE A 86 3.340 5.368 3.983 1.00 0.00 H new ATOM 0 HA PHE A 86 5.689 6.766 5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.498 5.083 6.458 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.910 5.706 7.289 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.668 6.620 5.758 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.103 8.117 7.814 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.515 8.745 6.149 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.937 10.237 8.209 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.636 10.551 7.388 1.00 0.00 H new ATOM 1306 N LYS A 87 6.721 4.337 5.802 1.00 0.00 N ATOM 1307 CA LYS A 87 7.626 3.197 5.654 1.00 0.00 C ATOM 1308 C LYS A 87 7.280 2.179 6.728 1.00 0.00 C ATOM 1309 O LYS A 87 7.194 2.505 7.906 1.00 0.00 O ATOM 1310 CB LYS A 87 9.114 3.618 5.758 1.00 0.00 C ATOM 1311 CG LYS A 87 10.087 2.469 5.421 1.00 0.00 C ATOM 1312 CD LYS A 87 11.572 2.874 5.490 1.00 0.00 C ATOM 1313 CE LYS A 87 12.507 1.723 5.074 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.929 2.087 5.210 1.00 0.00 N ATOM 0 H LYS A 87 6.877 4.877 6.653 1.00 0.00 H new ATOM 0 HA LYS A 87 7.497 2.765 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.298 4.453 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.316 3.974 6.768 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.912 1.643 6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.866 2.100 4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.744 3.732 4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.815 3.189 6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.297 0.847 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.302 1.445 4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.491 1.231 5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.257 2.539 4.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.043 2.749 6.004 1.00 0.00 H new ATOM 1328 N SER A 88 7.090 0.950 6.291 1.00 0.00 N ATOM 1329 CA SER A 88 6.634 -0.152 7.126 1.00 0.00 C ATOM 1330 C SER A 88 7.648 -1.307 7.079 1.00 0.00 C ATOM 1331 O SER A 88 8.790 -1.154 6.622 1.00 0.00 O ATOM 1332 CB SER A 88 5.227 -0.578 6.634 1.00 0.00 C ATOM 1333 OG SER A 88 4.311 0.493 6.761 1.00 0.00 O ATOM 0 H SER A 88 7.252 0.679 5.321 1.00 0.00 H new ATOM 0 HA SER A 88 6.560 0.153 8.170 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.281 -0.897 5.593 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.877 -1.434 7.212 1.00 0.00 H new ATOM 0 HG SER A 88 3.886 0.457 7.643 1.00 0.00 H new ATOM 1339 N ASN A 89 7.198 -2.454 7.568 1.00 0.00 N ATOM 1340 CA ASN A 89 7.997 -3.670 7.710 1.00 0.00 C ATOM 1341 C ASN A 89 7.123 -4.827 7.231 1.00 0.00 C ATOM 1342 O ASN A 89 5.906 -4.671 7.136 1.00 0.00 O ATOM 1343 CB ASN A 89 8.419 -3.884 9.196 1.00 0.00 C ATOM 1344 CG ASN A 89 9.177 -2.696 9.800 1.00 0.00 C ATOM 1345 OD1 ASN A 89 10.399 -2.633 9.751 1.00 0.00 O ATOM 1346 ND2 ASN A 89 8.445 -1.733 10.358 1.00 0.00 N ATOM 0 H ASN A 89 6.237 -2.571 7.888 1.00 0.00 H new ATOM 0 HA ASN A 89 8.914 -3.602 7.124 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.528 -4.076 9.793 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.045 -4.774 9.262 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.901 -0.914 10.760 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.429 -1.815 10.383 1.00 0.00 H new ATOM 1353 N ASN A 90 7.731 -5.965 6.908 1.00 0.00 N ATOM 1354 CA ASN A 90 6.996 -7.219 6.637 1.00 0.00 C ATOM 1355 C ASN A 90 6.248 -7.664 7.912 1.00 0.00 C ATOM 1356 O ASN A 90 5.132 -8.180 7.844 1.00 0.00 O ATOM 1357 CB ASN A 90 7.974 -8.328 6.163 1.00 0.00 C ATOM 1358 CG ASN A 90 7.280 -9.623 5.758 1.00 0.00 C ATOM 1359 OD1 ASN A 90 7.070 -10.515 6.574 1.00 0.00 O ATOM 1360 ND2 ASN A 90 6.900 -9.729 4.496 1.00 0.00 N ATOM 0 H ASN A 90 8.744 -6.055 6.824 1.00 0.00 H new ATOM 0 HA ASN A 90 6.271 -7.045 5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.550 -7.955 5.316 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.684 -8.541 6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.418 -10.570 4.177 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.089 -8.970 3.841 1.00 0.00 H new ATOM 1367 N VAL A 91 6.881 -7.408 9.075 1.00 0.00 N ATOM 1368 CA VAL A 91 6.305 -7.713 10.402 1.00 0.00 C ATOM 1369 C VAL A 91 5.113 -6.767 10.698 1.00 0.00 C ATOM 1370 O VAL A 91 4.069 -7.208 11.193 1.00 0.00 O ATOM 1371 CB VAL A 91 7.395 -7.596 11.533 1.00 0.00 C ATOM 1372 CG1 VAL A 91 6.839 -8.043 12.913 1.00 0.00 C ATOM 1373 CG2 VAL A 91 8.676 -8.392 11.153 1.00 0.00 C ATOM 0 H VAL A 91 7.807 -6.983 9.121 1.00 0.00 H new ATOM 0 HA VAL A 91 5.944 -8.741 10.389 1.00 0.00 H new ATOM 0 HB VAL A 91 7.667 -6.544 11.622 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.620 -7.948 13.668 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.992 -7.413 13.186 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.514 -9.082 12.855 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.414 -8.296 11.950 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.424 -9.444 11.017 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.089 -7.995 10.226 1.00 0.00 H new ATOM 1383 N GLU A 92 5.294 -5.476 10.350 1.00 0.00 N ATOM 1384 CA GLU A 92 4.267 -4.415 10.517 1.00 0.00 C ATOM 1385 C GLU A 92 3.025 -4.724 9.655 1.00 0.00 C ATOM 1386 O GLU A 92 1.898 -4.757 10.151 1.00 0.00 O ATOM 1387 CB GLU A 92 4.872 -3.031 10.125 1.00 0.00 C ATOM 1388 CG GLU A 92 3.889 -1.833 10.140 1.00 0.00 C ATOM 1389 CD GLU A 92 3.382 -1.453 11.540 1.00 0.00 C ATOM 1390 OE1 GLU A 92 2.354 -1.999 11.989 1.00 0.00 O ATOM 1391 OE2 GLU A 92 4.017 -0.601 12.205 1.00 0.00 O ATOM 0 H GLU A 92 6.163 -5.133 9.941 1.00 0.00 H new ATOM 0 HA GLU A 92 3.957 -4.384 11.561 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.694 -2.810 10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.299 -3.113 9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.382 -0.968 9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.033 -2.071 9.508 1.00 0.00 H new ATOM 1398 N MET A 93 3.290 -4.980 8.369 1.00 0.00 N ATOM 1399 CA MET A 93 2.285 -5.279 7.339 1.00 0.00 C ATOM 1400 C MET A 93 1.441 -6.500 7.726 1.00 0.00 C ATOM 1401 O MET A 93 0.211 -6.425 7.755 1.00 0.00 O ATOM 1402 CB MET A 93 3.022 -5.477 5.976 1.00 0.00 C ATOM 1403 CG MET A 93 2.192 -6.055 4.813 1.00 0.00 C ATOM 1404 SD MET A 93 2.060 -7.853 4.865 1.00 0.00 S ATOM 1405 CE MET A 93 3.787 -8.326 4.804 1.00 0.00 C ATOM 0 H MET A 93 4.242 -4.985 8.003 1.00 0.00 H new ATOM 0 HA MET A 93 1.586 -4.448 7.246 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.420 -4.512 5.662 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.875 -6.134 6.144 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.192 -5.622 4.838 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.645 -5.757 3.868 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.922 -9.117 4.066 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.391 -7.463 4.525 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.100 -8.686 5.784 1.00 0.00 H new ATOM 1415 N ASP A 94 2.129 -7.591 8.093 1.00 0.00 N ATOM 1416 CA ASP A 94 1.491 -8.874 8.428 1.00 0.00 C ATOM 1417 C ASP A 94 0.623 -8.760 9.699 1.00 0.00 C ATOM 1418 O ASP A 94 -0.475 -9.325 9.750 1.00 0.00 O ATOM 1419 CB ASP A 94 2.573 -9.973 8.594 1.00 0.00 C ATOM 1420 CG ASP A 94 1.996 -11.350 8.972 1.00 0.00 C ATOM 1421 OD1 ASP A 94 1.289 -11.953 8.140 1.00 0.00 O ATOM 1422 OD2 ASP A 94 2.247 -11.829 10.100 1.00 0.00 O ATOM 0 H ASP A 94 3.146 -7.609 8.166 1.00 0.00 H new ATOM 0 HA ASP A 94 0.828 -9.151 7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.132 -10.065 7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.281 -9.661 9.362 1.00 0.00 H new ATOM 1427 N TRP A 95 1.123 -8.001 10.703 1.00 0.00 N ATOM 1428 CA TRP A 95 0.419 -7.795 11.991 1.00 0.00 C ATOM 1429 C TRP A 95 -0.943 -7.107 11.786 1.00 0.00 C ATOM 1430 O TRP A 95 -1.960 -7.580 12.295 1.00 0.00 O ATOM 1431 CB TRP A 95 1.301 -6.959 12.966 1.00 0.00 C ATOM 1432 CG TRP A 95 0.646 -6.677 14.309 1.00 0.00 C ATOM 1433 CD1 TRP A 95 0.445 -7.565 15.331 1.00 0.00 C ATOM 1434 CD2 TRP A 95 0.085 -5.428 14.758 1.00 0.00 C ATOM 1435 NE1 TRP A 95 -0.205 -6.954 16.369 1.00 0.00 N ATOM 1436 CE2 TRP A 95 -0.435 -5.645 16.045 1.00 0.00 C ATOM 1437 CE3 TRP A 95 -0.029 -4.158 14.190 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 -1.059 -4.635 16.776 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 -0.644 -3.155 14.914 1.00 0.00 C ATOM 1440 CH2 TRP A 95 -1.158 -3.399 16.196 1.00 0.00 C ATOM 0 H TRP A 95 2.019 -7.518 10.644 1.00 0.00 H new ATOM 0 HA TRP A 95 0.237 -8.777 12.428 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.239 -7.488 13.135 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.552 -6.011 12.490 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.755 -8.600 15.320 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -0.475 -7.403 17.244 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.357 -3.963 13.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.451 -4.821 17.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.730 -2.167 14.486 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -1.641 -2.597 16.735 1.00 0.00 H new ATOM 1451 N VAL A 96 -0.937 -5.988 11.049 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.152 -5.181 10.809 1.00 0.00 C ATOM 1453 C VAL A 96 -3.161 -5.935 9.918 1.00 0.00 C ATOM 1454 O VAL A 96 -4.364 -5.875 10.153 1.00 0.00 O ATOM 1455 CB VAL A 96 -1.822 -3.782 10.180 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.083 -2.879 10.106 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -0.703 -3.066 10.959 1.00 0.00 C ATOM 0 H VAL A 96 -0.099 -5.615 10.603 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.605 -5.010 11.786 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.472 -3.965 9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.817 -1.918 9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.842 -3.363 9.491 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.477 -2.721 11.110 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.499 -2.100 10.497 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.018 -2.915 11.992 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.201 -3.675 10.940 1.00 0.00 H new ATOM 1467 N LEU A 97 -2.663 -6.656 8.904 1.00 0.00 N ATOM 1468 CA LEU A 97 -3.525 -7.469 8.011 1.00 0.00 C ATOM 1469 C LEU A 97 -4.194 -8.629 8.778 1.00 0.00 C ATOM 1470 O LEU A 97 -5.298 -9.061 8.424 1.00 0.00 O ATOM 1471 CB LEU A 97 -2.704 -8.015 6.820 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.191 -6.960 5.790 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.297 -7.631 4.737 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -3.363 -6.196 5.131 1.00 0.00 C ATOM 0 H LEU A 97 -1.670 -6.698 8.675 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.314 -6.821 7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.843 -8.553 7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.316 -8.743 6.288 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.592 -6.225 6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.947 -6.882 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.441 -8.093 5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.868 -8.395 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.970 -5.470 4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.010 -6.902 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.937 -5.678 5.899 1.00 0.00 H new ATOM 1486 N LYS A 98 -3.514 -9.113 9.831 1.00 0.00 N ATOM 1487 CA LYS A 98 -3.998 -10.224 10.669 1.00 0.00 C ATOM 1488 C LYS A 98 -4.913 -9.697 11.795 1.00 0.00 C ATOM 1489 O LYS A 98 -5.871 -10.366 12.199 1.00 0.00 O ATOM 1490 CB LYS A 98 -2.780 -11.006 11.253 1.00 0.00 C ATOM 1491 CG LYS A 98 -3.099 -12.443 11.721 1.00 0.00 C ATOM 1492 CD LYS A 98 -3.677 -13.309 10.572 1.00 0.00 C ATOM 1493 CE LYS A 98 -3.829 -14.785 10.956 1.00 0.00 C ATOM 1494 NZ LYS A 98 -2.520 -15.415 11.259 1.00 0.00 N ATOM 0 H LYS A 98 -2.610 -8.744 10.126 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.589 -10.905 10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.997 -11.051 10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.376 -10.445 12.096 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.192 -12.909 12.106 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.813 -12.407 12.543 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.649 -12.913 10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.026 -13.230 9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.482 -14.869 11.825 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.312 -15.324 10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.633 -16.448 11.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.836 -15.169 10.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.173 -15.070 12.177 1.00 0.00 H new ATOM 1508 N HIS A 99 -4.600 -8.479 12.278 1.00 0.00 N ATOM 1509 CA HIS A 99 -5.313 -7.795 13.374 1.00 0.00 C ATOM 1510 C HIS A 99 -5.190 -6.273 13.156 1.00 0.00 C ATOM 1511 O HIS A 99 -4.179 -5.670 13.555 1.00 0.00 O ATOM 1512 CB HIS A 99 -4.731 -8.162 14.778 1.00 0.00 C ATOM 1513 CG HIS A 99 -4.857 -9.606 15.170 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -3.789 -10.468 15.190 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -5.929 -10.330 15.566 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -4.188 -11.662 15.573 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -5.484 -11.605 15.806 1.00 0.00 N ATOM 0 H HIS A 99 -3.825 -7.930 11.907 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.354 -8.116 13.359 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.676 -7.888 14.798 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.232 -7.554 15.531 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.942 -9.972 15.673 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -3.563 -12.536 15.678 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.064 -12.385 16.116 1.00 0.00 H new