USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=20 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= -0.962 K(o=-1.7,f=-4.2!) USER MOD Set 1.2: A 38 ASN : amide:sc= -0.74 X(o=-1.7,f=-1.3!) USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= 0.104 (180deg=-0.491) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00305 USER MOD Single : A 22 CYS SG : rot -59:sc= -1.56 USER MOD Single : A 23 SER OG : rot -170:sc= -1.47 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.21 F(o=-4.5!,f=-1.2) USER MOD Single : A 32 SER OG : rot -92:sc= 0.585 USER MOD Single : A 34 CYS SG : rot -102:sc= 0.0075 USER MOD Single : A 35 LYS NZ :NH3+ -144:sc= 0.823 (180deg=0.285) USER MOD Single : A 41 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.78) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -80:sc= -0.0387 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= 0.367 (180deg=0.206) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= 0.739 (180deg=0.537) USER MOD Single : A 77 THR OG1 : rot 40:sc= 0.0187 USER MOD Single : A 78 MET CE :methyl 148:sc= -0.436 (180deg=-0.999) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0.598 (180deg=0.598) USER MOD Single : A 88 SER OG : rot 61:sc= 0.122 USER MOD Single : A 89 ASN : amide:sc= -0.102 K(o=-0.1,f=-7.8!) USER MOD Single : A 90 ASN : amide:sc= -1.21 K(o=-1.2,f=-4.7!) USER MOD Single : A 93 MET CE :methyl 136:sc= -0.159 (180deg=-0.862) USER MOD Single : A 98 LYS NZ :NH3+ 164:sc= -0.0342 (180deg=-0.324) USER MOD Single : A 99 HIS : no HD1:sc= -0.0609 X(o=-0.061,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 10.562 -4.322 3.527 1.00 0.00 N ATOM 84 CA PHE A 11 10.442 -3.884 2.113 1.00 0.00 C ATOM 85 C PHE A 11 9.019 -3.370 1.774 1.00 0.00 C ATOM 86 O PHE A 11 8.731 -3.035 0.623 1.00 0.00 O ATOM 87 CB PHE A 11 10.839 -5.044 1.166 1.00 0.00 C ATOM 88 CG PHE A 11 12.267 -5.561 1.372 1.00 0.00 C ATOM 89 CD1 PHE A 11 13.342 -4.985 0.695 1.00 0.00 C ATOM 90 CD2 PHE A 11 12.530 -6.622 2.237 1.00 0.00 C ATOM 91 CE1 PHE A 11 14.631 -5.449 0.885 1.00 0.00 C ATOM 92 CE2 PHE A 11 13.821 -7.084 2.424 1.00 0.00 C ATOM 93 CZ PHE A 11 14.871 -6.502 1.744 1.00 0.00 C ATOM 0 HA PHE A 11 11.125 -3.047 1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.141 -5.869 1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.731 -4.709 0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.165 -4.166 0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.715 -7.090 2.769 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.453 -4.986 0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 11 14.007 -7.902 3.104 1.00 0.00 H new ATOM 0 HZ PHE A 11 15.877 -6.869 1.883 1.00 0.00 H new ATOM 103 N VAL A 12 8.153 -3.301 2.791 1.00 0.00 N ATOM 104 CA VAL A 12 6.768 -2.870 2.674 1.00 0.00 C ATOM 105 C VAL A 12 6.657 -1.396 3.105 1.00 0.00 C ATOM 106 O VAL A 12 7.314 -0.963 4.065 1.00 0.00 O ATOM 107 CB VAL A 12 5.834 -3.757 3.584 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.346 -3.450 3.328 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.120 -5.257 3.384 1.00 0.00 C ATOM 0 H VAL A 12 8.411 -3.553 3.745 1.00 0.00 H new ATOM 0 HA VAL A 12 6.450 -2.979 1.637 1.00 0.00 H new ATOM 0 HB VAL A 12 6.057 -3.505 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.729 -4.078 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.148 -2.401 3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.107 -3.654 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.460 -5.842 4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.945 -5.525 2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.158 -5.467 3.643 1.00 0.00 H new ATOM 119 N VAL A 13 5.864 -0.624 2.355 1.00 0.00 N ATOM 120 CA VAL A 13 5.383 0.699 2.771 1.00 0.00 C ATOM 121 C VAL A 13 3.888 0.614 3.080 1.00 0.00 C ATOM 122 O VAL A 13 3.256 -0.415 2.830 1.00 0.00 O ATOM 123 CB VAL A 13 5.643 1.775 1.657 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.155 1.986 1.438 1.00 0.00 C ATOM 125 CG2 VAL A 13 4.923 1.408 0.323 1.00 0.00 C ATOM 0 H VAL A 13 5.534 -0.903 1.431 1.00 0.00 H new ATOM 0 HA VAL A 13 5.930 1.006 3.663 1.00 0.00 H new ATOM 0 HB VAL A 13 5.218 2.717 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.309 2.736 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.613 2.326 2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.613 1.046 1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.126 2.176 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.290 0.447 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.849 1.345 0.495 1.00 0.00 H new ATOM 135 N LYS A 14 3.317 1.702 3.609 1.00 0.00 N ATOM 136 CA LYS A 14 1.870 1.796 3.836 1.00 0.00 C ATOM 137 C LYS A 14 1.356 2.999 3.055 1.00 0.00 C ATOM 138 O LYS A 14 1.929 4.089 3.127 1.00 0.00 O ATOM 139 CB LYS A 14 1.501 1.878 5.344 1.00 0.00 C ATOM 140 CG LYS A 14 1.895 3.181 6.062 1.00 0.00 C ATOM 141 CD LYS A 14 1.571 3.168 7.576 1.00 0.00 C ATOM 142 CE LYS A 14 2.365 2.097 8.356 1.00 0.00 C ATOM 143 NZ LYS A 14 2.142 2.170 9.818 1.00 0.00 N ATOM 0 H LYS A 14 3.837 2.533 3.889 1.00 0.00 H new ATOM 0 HA LYS A 14 1.389 0.885 3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.424 1.743 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.976 1.044 5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.963 3.353 5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.376 4.017 5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.788 4.150 7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.504 2.991 7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.080 1.108 7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.428 2.217 8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.006 1.874 10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.906 3.147 10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.357 1.540 10.081 1.00 0.00 H new ATOM 157 N VAL A 15 0.302 2.784 2.269 1.00 0.00 N ATOM 158 CA VAL A 15 -0.226 3.787 1.346 1.00 0.00 C ATOM 159 C VAL A 15 -1.587 4.261 1.858 1.00 0.00 C ATOM 160 O VAL A 15 -2.524 3.478 1.932 1.00 0.00 O ATOM 161 CB VAL A 15 -0.344 3.202 -0.108 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.871 4.256 -1.113 1.00 0.00 C ATOM 163 CG2 VAL A 15 1.016 2.624 -0.568 1.00 0.00 C ATOM 0 H VAL A 15 -0.213 1.903 2.255 1.00 0.00 H new ATOM 0 HA VAL A 15 0.458 4.635 1.299 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.074 2.393 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.938 3.811 -2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.859 4.595 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.188 5.105 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.918 2.223 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.767 3.414 -0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.322 1.828 0.111 1.00 0.00 H new ATOM 173 N ARG A 16 -1.669 5.551 2.179 1.00 0.00 N ATOM 174 CA ARG A 16 -2.834 6.182 2.827 1.00 0.00 C ATOM 175 C ARG A 16 -3.504 7.097 1.796 1.00 0.00 C ATOM 176 O ARG A 16 -2.857 7.509 0.834 1.00 0.00 O ATOM 177 CB ARG A 16 -2.379 6.983 4.111 1.00 0.00 C ATOM 178 CG ARG A 16 -3.100 6.603 5.426 1.00 0.00 C ATOM 179 CD ARG A 16 -4.605 6.919 5.410 1.00 0.00 C ATOM 180 NE ARG A 16 -5.290 6.402 6.612 1.00 0.00 N ATOM 181 CZ ARG A 16 -6.082 7.111 7.434 1.00 0.00 C ATOM 182 NH1 ARG A 16 -6.276 8.412 7.250 1.00 0.00 N ATOM 183 NH2 ARG A 16 -6.664 6.498 8.450 1.00 0.00 N ATOM 0 H ARG A 16 -0.912 6.209 1.994 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.548 5.429 3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.308 6.835 4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.533 8.046 3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.962 5.538 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.633 7.135 6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.749 7.998 5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.058 6.484 4.519 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.149 5.418 6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.820 8.891 6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.881 8.932 7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.509 5.501 8.601 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.268 7.022 9.083 1.00 0.00 H new ATOM 197 N GLY A 17 -4.788 7.410 2.004 1.00 0.00 N ATOM 198 CA GLY A 17 -5.544 8.242 1.067 1.00 0.00 C ATOM 199 C GLY A 17 -5.899 7.512 -0.217 1.00 0.00 C ATOM 200 O GLY A 17 -5.948 8.105 -1.308 1.00 0.00 O ATOM 0 H GLY A 17 -5.324 7.098 2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.459 8.584 1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.960 9.130 0.825 1.00 0.00 H new ATOM 204 N LEU A 18 -6.116 6.208 -0.070 1.00 0.00 N ATOM 205 CA LEU A 18 -6.660 5.354 -1.119 1.00 0.00 C ATOM 206 C LEU A 18 -8.192 5.392 -1.051 1.00 0.00 C ATOM 207 O LEU A 18 -8.761 5.324 0.052 1.00 0.00 O ATOM 208 CB LEU A 18 -6.137 3.901 -0.971 1.00 0.00 C ATOM 209 CG LEU A 18 -4.620 3.706 -1.271 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.186 2.245 -1.059 1.00 0.00 C ATOM 211 CD2 LEU A 18 -4.274 4.184 -2.704 1.00 0.00 C ATOM 0 H LEU A 18 -5.915 5.708 0.796 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.334 5.723 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.336 3.562 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.709 3.257 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.063 4.320 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.123 2.146 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.372 1.956 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.755 1.596 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.210 4.038 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.851 3.609 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.517 5.242 -2.803 1.00 0.00 H new ATOM 223 N PRO A 19 -8.882 5.569 -2.222 1.00 0.00 N ATOM 224 CA PRO A 19 -10.347 5.418 -2.315 1.00 0.00 C ATOM 225 C PRO A 19 -10.834 4.044 -1.796 1.00 0.00 C ATOM 226 O PRO A 19 -10.152 3.025 -1.960 1.00 0.00 O ATOM 227 CB PRO A 19 -10.630 5.563 -3.837 1.00 0.00 C ATOM 228 CG PRO A 19 -9.493 6.392 -4.349 1.00 0.00 C ATOM 229 CD PRO A 19 -8.292 5.977 -3.535 1.00 0.00 C ATOM 0 HA PRO A 19 -10.872 6.150 -1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.666 4.591 -4.329 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.589 6.048 -4.019 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.327 6.216 -5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.699 7.456 -4.231 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.753 5.154 -4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.583 6.797 -3.419 1.00 0.00 H new ATOM 237 N TRP A 20 -12.020 4.046 -1.179 1.00 0.00 N ATOM 238 CA TRP A 20 -12.720 2.831 -0.729 1.00 0.00 C ATOM 239 C TRP A 20 -12.990 1.874 -1.916 1.00 0.00 C ATOM 240 O TRP A 20 -13.027 0.657 -1.752 1.00 0.00 O ATOM 241 CB TRP A 20 -14.055 3.227 -0.033 1.00 0.00 C ATOM 242 CG TRP A 20 -15.046 3.943 -0.946 1.00 0.00 C ATOM 243 CD1 TRP A 20 -16.101 3.382 -1.621 1.00 0.00 C ATOM 244 CD2 TRP A 20 -15.055 5.338 -1.298 1.00 0.00 C ATOM 245 NE1 TRP A 20 -16.754 4.333 -2.356 1.00 0.00 N ATOM 246 CE2 TRP A 20 -16.141 5.540 -2.172 1.00 0.00 C ATOM 247 CE3 TRP A 20 -14.263 6.436 -0.950 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -16.440 6.787 -2.711 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -14.561 7.673 -1.486 1.00 0.00 C ATOM 250 CH2 TRP A 20 -15.644 7.842 -2.355 1.00 0.00 C ATOM 0 H TRP A 20 -12.532 4.904 -0.973 1.00 0.00 H new ATOM 0 HA TRP A 20 -12.085 2.305 -0.016 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -14.527 2.327 0.363 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -13.832 3.870 0.818 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -16.376 2.339 -1.578 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -17.569 4.167 -2.947 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -13.431 6.318 -0.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -17.272 6.918 -3.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -13.948 8.524 -1.230 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -15.856 8.824 -2.753 1.00 0.00 H new ATOM 261 N SER A 21 -13.171 2.468 -3.110 1.00 0.00 N ATOM 262 CA SER A 21 -13.502 1.755 -4.352 1.00 0.00 C ATOM 263 C SER A 21 -12.288 1.674 -5.303 1.00 0.00 C ATOM 264 O SER A 21 -12.459 1.411 -6.504 1.00 0.00 O ATOM 265 CB SER A 21 -14.683 2.497 -5.021 1.00 0.00 C ATOM 266 OG SER A 21 -14.399 3.882 -5.154 1.00 0.00 O ATOM 0 H SER A 21 -13.089 3.477 -3.238 1.00 0.00 H new ATOM 0 HA SER A 21 -13.781 0.727 -4.123 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.880 2.066 -6.003 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.587 2.362 -4.426 1.00 0.00 H new ATOM 0 HG SER A 21 -15.158 4.332 -5.581 1.00 0.00 H new ATOM 272 N CYS A 22 -11.061 1.851 -4.762 1.00 0.00 N ATOM 273 CA CYS A 22 -9.808 1.822 -5.556 1.00 0.00 C ATOM 274 C CYS A 22 -9.519 0.400 -6.082 1.00 0.00 C ATOM 275 O CYS A 22 -10.166 -0.566 -5.681 1.00 0.00 O ATOM 276 CB CYS A 22 -8.622 2.315 -4.677 1.00 0.00 C ATOM 277 SG CYS A 22 -7.043 2.485 -5.538 1.00 0.00 S ATOM 0 H CYS A 22 -10.910 2.017 -3.767 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.926 2.483 -6.414 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -8.888 3.280 -4.245 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.492 1.620 -3.848 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.692 1.335 -6.032 1.00 0.00 H new ATOM 283 N SER A 23 -8.536 0.288 -6.977 1.00 0.00 N ATOM 284 CA SER A 23 -8.048 -1.008 -7.478 1.00 0.00 C ATOM 285 C SER A 23 -6.534 -1.075 -7.280 1.00 0.00 C ATOM 286 O SER A 23 -5.863 -0.035 -7.152 1.00 0.00 O ATOM 287 CB SER A 23 -8.408 -1.191 -8.971 1.00 0.00 C ATOM 288 OG SER A 23 -7.802 -0.200 -9.779 1.00 0.00 O ATOM 0 H SER A 23 -8.052 1.091 -7.378 1.00 0.00 H new ATOM 0 HA SER A 23 -8.527 -1.814 -6.922 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.088 -2.178 -9.304 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.490 -1.148 -9.093 1.00 0.00 H new ATOM 0 HG SER A 23 -8.171 -0.246 -10.686 1.00 0.00 H new ATOM 294 N ALA A 24 -6.006 -2.307 -7.224 1.00 0.00 N ATOM 295 CA ALA A 24 -4.556 -2.557 -7.243 1.00 0.00 C ATOM 296 C ALA A 24 -3.916 -1.926 -8.500 1.00 0.00 C ATOM 297 O ALA A 24 -2.804 -1.425 -8.440 1.00 0.00 O ATOM 298 CB ALA A 24 -4.272 -4.069 -7.153 1.00 0.00 C ATOM 0 H ALA A 24 -6.569 -3.155 -7.164 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.102 -2.084 -6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.195 -4.239 -7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.688 -4.463 -6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.731 -4.577 -8.001 1.00 0.00 H new ATOM 304 N ASP A 25 -4.670 -1.949 -9.621 1.00 0.00 N ATOM 305 CA ASP A 25 -4.316 -1.275 -10.891 1.00 0.00 C ATOM 306 C ASP A 25 -4.041 0.241 -10.715 1.00 0.00 C ATOM 307 O ASP A 25 -3.108 0.771 -11.332 1.00 0.00 O ATOM 308 CB ASP A 25 -5.448 -1.504 -11.935 1.00 0.00 C ATOM 309 CG ASP A 25 -5.101 -0.989 -13.347 1.00 0.00 C ATOM 310 OD1 ASP A 25 -4.374 -1.691 -14.086 1.00 0.00 O ATOM 311 OD2 ASP A 25 -5.536 0.119 -13.722 1.00 0.00 O ATOM 0 H ASP A 25 -5.559 -2.446 -9.670 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.385 -1.718 -11.246 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.669 -2.570 -11.991 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.355 -1.008 -11.589 1.00 0.00 H new ATOM 316 N GLU A 26 -4.846 0.929 -9.880 1.00 0.00 N ATOM 317 CA GLU A 26 -4.637 2.369 -9.587 1.00 0.00 C ATOM 318 C GLU A 26 -3.303 2.604 -8.860 1.00 0.00 C ATOM 319 O GLU A 26 -2.578 3.564 -9.155 1.00 0.00 O ATOM 320 CB GLU A 26 -5.806 2.933 -8.740 1.00 0.00 C ATOM 321 CG GLU A 26 -7.167 2.965 -9.465 1.00 0.00 C ATOM 322 CD GLU A 26 -7.127 3.750 -10.788 1.00 0.00 C ATOM 323 OE1 GLU A 26 -6.930 4.986 -10.751 1.00 0.00 O ATOM 324 OE2 GLU A 26 -7.298 3.147 -11.867 1.00 0.00 O ATOM 0 H GLU A 26 -5.644 0.517 -9.397 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.605 2.895 -10.541 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.905 2.333 -7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.553 3.945 -8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.490 1.943 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.912 3.411 -8.807 1.00 0.00 H new ATOM 331 N VAL A 27 -2.981 1.699 -7.924 1.00 0.00 N ATOM 332 CA VAL A 27 -1.749 1.773 -7.119 1.00 0.00 C ATOM 333 C VAL A 27 -0.528 1.312 -7.964 1.00 0.00 C ATOM 334 O VAL A 27 0.605 1.734 -7.720 1.00 0.00 O ATOM 335 CB VAL A 27 -1.889 0.909 -5.812 1.00 0.00 C ATOM 336 CG1 VAL A 27 -0.642 1.022 -4.889 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.182 1.281 -5.043 1.00 0.00 C ATOM 0 H VAL A 27 -3.567 0.894 -7.702 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.587 2.809 -6.820 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.957 -0.133 -6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.790 0.407 -4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.241 0.677 -5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.503 2.061 -4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.258 0.671 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.150 2.335 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.049 1.099 -5.679 1.00 0.00 H new ATOM 347 N GLN A 28 -0.796 0.455 -8.976 1.00 0.00 N ATOM 348 CA GLN A 28 0.201 0.011 -9.980 1.00 0.00 C ATOM 349 C GLN A 28 0.674 1.205 -10.818 1.00 0.00 C ATOM 350 O GLN A 28 1.876 1.455 -10.938 1.00 0.00 O ATOM 351 CB GLN A 28 -0.394 -1.099 -10.920 1.00 0.00 C ATOM 352 CG GLN A 28 -0.347 -2.530 -10.355 1.00 0.00 C ATOM 353 CD GLN A 28 1.076 -3.084 -10.298 1.00 0.00 C ATOM 354 OE1 GLN A 28 1.767 -2.866 -9.190 1.00 0.00 O flip ATOM 355 NE2 GLN A 28 1.549 -3.703 -11.251 1.00 0.00 N flip ATOM 0 H GLN A 28 -1.720 0.048 -9.121 1.00 0.00 H new ATOM 0 HA GLN A 28 1.050 -0.414 -9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.431 -0.847 -11.142 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.148 -1.081 -11.866 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.778 -2.537 -9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.964 -3.183 -10.972 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.989 -3.853 -12.090 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.501 -4.066 -11.202 1.00 0.00 H new ATOM 364 N ARG A 29 -0.307 1.917 -11.394 1.00 0.00 N ATOM 365 CA ARG A 29 -0.076 3.122 -12.203 1.00 0.00 C ATOM 366 C ARG A 29 0.656 4.200 -11.394 1.00 0.00 C ATOM 367 O ARG A 29 1.651 4.772 -11.850 1.00 0.00 O ATOM 368 CB ARG A 29 -1.432 3.666 -12.732 1.00 0.00 C ATOM 369 CG ARG A 29 -1.320 4.927 -13.621 1.00 0.00 C ATOM 370 CD ARG A 29 -2.685 5.419 -14.129 1.00 0.00 C ATOM 371 NE ARG A 29 -3.358 4.411 -14.976 1.00 0.00 N ATOM 372 CZ ARG A 29 -4.680 4.286 -15.140 1.00 0.00 C ATOM 373 NH1 ARG A 29 -5.533 5.091 -14.507 1.00 0.00 N ATOM 374 NH2 ARG A 29 -5.143 3.346 -15.947 1.00 0.00 N ATOM 0 H ARG A 29 -1.293 1.669 -11.310 1.00 0.00 H new ATOM 0 HA ARG A 29 0.558 2.855 -13.049 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.926 2.879 -13.302 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.073 3.894 -11.881 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.839 5.724 -13.054 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.677 4.709 -14.474 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.322 5.661 -13.279 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.550 6.339 -14.698 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.762 3.753 -15.479 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.181 5.818 -13.884 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.537 4.980 -14.645 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.495 2.728 -16.435 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.148 3.239 -16.082 1.00 0.00 H new ATOM 388 N PHE A 30 0.178 4.441 -10.165 1.00 0.00 N ATOM 389 CA PHE A 30 0.672 5.531 -9.318 1.00 0.00 C ATOM 390 C PHE A 30 2.121 5.267 -8.864 1.00 0.00 C ATOM 391 O PHE A 30 2.976 6.151 -8.925 1.00 0.00 O ATOM 392 CB PHE A 30 -0.276 5.713 -8.104 1.00 0.00 C ATOM 393 CG PHE A 30 -0.244 7.115 -7.528 1.00 0.00 C ATOM 394 CD1 PHE A 30 -0.918 8.146 -8.175 1.00 0.00 C ATOM 395 CD2 PHE A 30 0.454 7.414 -6.367 1.00 0.00 C ATOM 396 CE1 PHE A 30 -0.887 9.424 -7.685 1.00 0.00 C ATOM 397 CE2 PHE A 30 0.480 8.700 -5.875 1.00 0.00 C ATOM 398 CZ PHE A 30 -0.193 9.701 -6.533 1.00 0.00 C ATOM 0 H PHE A 30 -0.560 3.886 -9.733 1.00 0.00 H new ATOM 0 HA PHE A 30 0.681 6.455 -9.897 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.295 5.475 -8.408 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.001 5.001 -7.326 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.474 7.935 -9.077 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.982 6.631 -5.844 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.408 10.214 -8.205 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.029 8.922 -4.972 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.176 10.708 -6.143 1.00 0.00 H new ATOM 408 N PHE A 31 2.380 4.021 -8.447 1.00 0.00 N ATOM 409 CA PHE A 31 3.709 3.568 -7.995 1.00 0.00 C ATOM 410 C PHE A 31 4.452 2.854 -9.146 1.00 0.00 C ATOM 411 O PHE A 31 5.186 1.892 -8.915 1.00 0.00 O ATOM 412 CB PHE A 31 3.558 2.639 -6.753 1.00 0.00 C ATOM 413 CG PHE A 31 3.073 3.346 -5.483 1.00 0.00 C ATOM 414 CD1 PHE A 31 1.753 3.788 -5.369 1.00 0.00 C ATOM 415 CD2 PHE A 31 3.940 3.588 -4.415 1.00 0.00 C ATOM 416 CE1 PHE A 31 1.316 4.436 -4.234 1.00 0.00 C ATOM 417 CE2 PHE A 31 3.499 4.241 -3.278 1.00 0.00 C ATOM 418 CZ PHE A 31 2.188 4.668 -3.192 1.00 0.00 C ATOM 0 H PHE A 31 1.669 3.290 -8.412 1.00 0.00 H new ATOM 0 HA PHE A 31 4.304 4.433 -7.702 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.859 1.839 -6.997 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.520 2.170 -6.547 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.064 3.619 -6.183 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.967 3.261 -4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.289 4.762 -4.161 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.179 4.417 -2.458 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.846 5.184 -2.307 1.00 0.00 H new ATOM 428 N SER A 32 4.261 3.352 -10.391 1.00 0.00 N ATOM 429 CA SER A 32 5.007 2.876 -11.576 1.00 0.00 C ATOM 430 C SER A 32 6.538 3.067 -11.423 1.00 0.00 C ATOM 431 O SER A 32 7.308 2.372 -12.089 1.00 0.00 O ATOM 432 CB SER A 32 4.473 3.579 -12.849 1.00 0.00 C ATOM 433 OG SER A 32 4.403 4.980 -12.682 1.00 0.00 O ATOM 0 H SER A 32 3.589 4.091 -10.599 1.00 0.00 H new ATOM 0 HA SER A 32 4.842 1.803 -11.669 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.122 3.345 -13.693 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.483 3.191 -13.091 1.00 0.00 H new ATOM 0 HG SER A 32 3.510 5.227 -12.364 1.00 0.00 H new ATOM 439 N ASP A 33 6.963 4.020 -10.554 1.00 0.00 N ATOM 440 CA ASP A 33 8.384 4.191 -10.159 1.00 0.00 C ATOM 441 C ASP A 33 8.895 2.931 -9.448 1.00 0.00 C ATOM 442 O ASP A 33 9.942 2.384 -9.799 1.00 0.00 O ATOM 443 CB ASP A 33 8.568 5.394 -9.191 1.00 0.00 C ATOM 444 CG ASP A 33 8.046 6.712 -9.763 1.00 0.00 C ATOM 445 OD1 ASP A 33 6.826 6.944 -9.681 1.00 0.00 O ATOM 446 OD2 ASP A 33 8.839 7.518 -10.296 1.00 0.00 O ATOM 0 H ASP A 33 6.333 4.688 -10.110 1.00 0.00 H new ATOM 0 HA ASP A 33 8.948 4.373 -11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.051 5.181 -8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.626 5.502 -8.953 1.00 0.00 H new ATOM 451 N CYS A 34 8.108 2.491 -8.458 1.00 0.00 N ATOM 452 CA CYS A 34 8.466 1.405 -7.542 1.00 0.00 C ATOM 453 C CYS A 34 8.161 0.033 -8.180 1.00 0.00 C ATOM 454 O CYS A 34 7.066 -0.173 -8.719 1.00 0.00 O ATOM 455 CB CYS A 34 7.667 1.583 -6.229 1.00 0.00 C ATOM 456 SG CYS A 34 7.793 3.244 -5.524 1.00 0.00 S ATOM 0 H CYS A 34 7.188 2.888 -8.269 1.00 0.00 H new ATOM 0 HA CYS A 34 9.535 1.441 -7.330 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.618 1.356 -6.418 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.022 0.858 -5.496 1.00 0.00 H new ATOM 0 HG CYS A 34 8.627 3.230 -4.527 1.00 0.00 H new ATOM 462 N LYS A 35 9.132 -0.900 -8.128 1.00 0.00 N ATOM 463 CA LYS A 35 8.891 -2.300 -8.524 1.00 0.00 C ATOM 464 C LYS A 35 8.186 -3.002 -7.358 1.00 0.00 C ATOM 465 O LYS A 35 8.800 -3.260 -6.325 1.00 0.00 O ATOM 466 CB LYS A 35 10.203 -3.053 -8.916 1.00 0.00 C ATOM 467 CG LYS A 35 10.833 -2.616 -10.271 1.00 0.00 C ATOM 468 CD LYS A 35 11.981 -1.591 -10.131 1.00 0.00 C ATOM 469 CE LYS A 35 13.239 -2.204 -9.503 1.00 0.00 C ATOM 470 NZ LYS A 35 14.327 -1.216 -9.297 1.00 0.00 N ATOM 0 H LYS A 35 10.085 -0.710 -7.817 1.00 0.00 H new ATOM 0 HA LYS A 35 8.267 -2.311 -9.418 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.939 -2.905 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.992 -4.122 -8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.210 -3.500 -10.786 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.053 -2.188 -10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.228 -1.189 -11.114 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.644 -0.754 -9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.978 -2.653 -8.545 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.603 -3.008 -10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.246 -1.671 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.205 -0.422 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.293 -0.861 -8.320 1.00 0.00 H new ATOM 484 N ILE A 36 6.879 -3.237 -7.519 1.00 0.00 N ATOM 485 CA ILE A 36 6.031 -3.844 -6.485 1.00 0.00 C ATOM 486 C ILE A 36 6.161 -5.391 -6.552 1.00 0.00 C ATOM 487 O ILE A 36 6.328 -5.947 -7.646 1.00 0.00 O ATOM 488 CB ILE A 36 4.537 -3.349 -6.637 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.494 -1.776 -6.649 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.644 -3.916 -5.507 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.115 -1.149 -6.800 1.00 0.00 C ATOM 0 H ILE A 36 6.376 -3.010 -8.377 1.00 0.00 H new ATOM 0 HA ILE A 36 6.364 -3.528 -5.496 1.00 0.00 H new ATOM 0 HB ILE A 36 4.143 -3.719 -7.584 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.937 -1.413 -5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.124 -1.421 -7.464 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.622 -3.559 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.656 -5.005 -5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.024 -3.583 -4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.207 -0.063 -6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.670 -1.471 -7.741 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.480 -1.463 -5.972 1.00 0.00 H new ATOM 503 N GLN A 37 6.055 -6.037 -5.364 1.00 0.00 N ATOM 504 CA GLN A 37 6.423 -7.461 -5.089 1.00 0.00 C ATOM 505 C GLN A 37 5.999 -8.455 -6.206 1.00 0.00 C ATOM 506 O GLN A 37 6.856 -8.995 -6.904 1.00 0.00 O ATOM 507 CB GLN A 37 5.833 -7.853 -3.699 1.00 0.00 C ATOM 508 CG GLN A 37 6.159 -9.276 -3.179 1.00 0.00 C ATOM 509 CD GLN A 37 5.146 -10.357 -3.558 1.00 0.00 C ATOM 510 OE1 GLN A 37 3.956 -10.088 -3.718 1.00 0.00 O ATOM 511 NE2 GLN A 37 5.611 -11.580 -3.714 1.00 0.00 N ATOM 0 H GLN A 37 5.697 -5.566 -4.533 1.00 0.00 H new ATOM 0 HA GLN A 37 7.510 -7.535 -5.075 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.189 -7.132 -2.963 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.749 -7.749 -3.748 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.138 -9.569 -3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.237 -9.239 -2.092 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.603 -11.770 -3.574 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.979 -12.337 -3.975 1.00 0.00 H new ATOM 520 N ASN A 38 4.690 -8.708 -6.359 1.00 0.00 N ATOM 521 CA ASN A 38 4.132 -9.428 -7.535 1.00 0.00 C ATOM 522 C ASN A 38 3.163 -8.499 -8.272 1.00 0.00 C ATOM 523 O ASN A 38 2.035 -8.885 -8.622 1.00 0.00 O ATOM 524 CB ASN A 38 3.437 -10.760 -7.095 1.00 0.00 C ATOM 525 CG ASN A 38 4.410 -11.923 -6.895 1.00 0.00 C ATOM 526 OD1 ASN A 38 5.440 -12.014 -7.562 1.00 0.00 O ATOM 527 ND2 ASN A 38 4.076 -12.832 -5.989 1.00 0.00 N ATOM 0 H ASN A 38 3.984 -8.425 -5.680 1.00 0.00 H new ATOM 0 HA ASN A 38 4.939 -9.704 -8.214 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.895 -10.587 -6.165 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.699 -11.040 -7.847 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.681 -13.638 -5.828 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.215 -12.726 -5.453 1.00 0.00 H new ATOM 534 N GLY A 39 3.632 -7.262 -8.510 1.00 0.00 N ATOM 535 CA GLY A 39 2.824 -6.225 -9.143 1.00 0.00 C ATOM 536 C GLY A 39 1.574 -5.918 -8.331 1.00 0.00 C ATOM 537 O GLY A 39 1.674 -5.575 -7.153 1.00 0.00 O ATOM 0 H GLY A 39 4.576 -6.962 -8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.418 -5.318 -9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.539 -6.546 -10.145 1.00 0.00 H new ATOM 541 N ALA A 40 0.398 -6.104 -8.946 1.00 0.00 N ATOM 542 CA ALA A 40 -0.905 -5.898 -8.293 1.00 0.00 C ATOM 543 C ALA A 40 -1.115 -6.857 -7.103 1.00 0.00 C ATOM 544 O ALA A 40 -1.770 -6.506 -6.118 1.00 0.00 O ATOM 545 CB ALA A 40 -2.020 -6.061 -9.334 1.00 0.00 C ATOM 0 H ALA A 40 0.322 -6.404 -9.918 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.931 -4.888 -7.885 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.988 -5.910 -8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.887 -5.325 -10.127 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.978 -7.064 -9.759 1.00 0.00 H new ATOM 551 N GLN A 41 -0.530 -8.059 -7.205 1.00 0.00 N ATOM 552 CA GLN A 41 -0.624 -9.102 -6.162 1.00 0.00 C ATOM 553 C GLN A 41 0.293 -8.776 -4.960 1.00 0.00 C ATOM 554 O GLN A 41 0.089 -9.298 -3.858 1.00 0.00 O ATOM 555 CB GLN A 41 -0.286 -10.502 -6.761 1.00 0.00 C ATOM 556 CG GLN A 41 -1.365 -11.111 -7.694 1.00 0.00 C ATOM 557 CD GLN A 41 -1.694 -10.277 -8.938 1.00 0.00 C ATOM 558 OE1 GLN A 41 -2.606 -9.444 -8.920 1.00 0.00 O ATOM 559 NE2 GLN A 41 -0.950 -10.481 -10.017 1.00 0.00 N ATOM 0 H GLN A 41 0.024 -8.340 -8.014 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.650 -9.124 -5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.647 -10.423 -7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.109 -11.196 -5.939 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.031 -12.098 -8.015 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.280 -11.255 -7.120 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.204 -11.177 -9.998 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.123 -9.942 -10.865 1.00 0.00 H new ATOM 568 N GLY A 42 1.296 -7.898 -5.183 1.00 0.00 N ATOM 569 CA GLY A 42 2.153 -7.390 -4.101 1.00 0.00 C ATOM 570 C GLY A 42 1.485 -6.283 -3.287 1.00 0.00 C ATOM 571 O GLY A 42 1.943 -5.937 -2.190 1.00 0.00 O ATOM 0 H GLY A 42 1.528 -7.529 -6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.419 -8.213 -3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.082 -7.011 -4.527 1.00 0.00 H new ATOM 575 N ILE A 43 0.408 -5.714 -3.852 1.00 0.00 N ATOM 576 CA ILE A 43 -0.414 -4.679 -3.208 1.00 0.00 C ATOM 577 C ILE A 43 -1.481 -5.348 -2.316 1.00 0.00 C ATOM 578 O ILE A 43 -2.218 -6.232 -2.767 1.00 0.00 O ATOM 579 CB ILE A 43 -1.090 -3.777 -4.305 1.00 0.00 C ATOM 580 CG1 ILE A 43 -0.001 -3.166 -5.241 1.00 0.00 C ATOM 581 CG2 ILE A 43 -1.966 -2.669 -3.674 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.532 -2.505 -6.495 1.00 0.00 C ATOM 0 H ILE A 43 0.079 -5.965 -4.784 1.00 0.00 H new ATOM 0 HA ILE A 43 0.216 -4.047 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.751 -4.406 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.571 -2.431 -4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.692 -3.956 -5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.416 -2.067 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.752 -3.125 -3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.348 -2.033 -3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.300 -2.112 -7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.078 -3.238 -7.089 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.201 -1.689 -6.221 1.00 0.00 H new ATOM 594 N ARG A 44 -1.537 -4.910 -1.050 1.00 0.00 N ATOM 595 CA ARG A 44 -2.370 -5.530 -0.002 1.00 0.00 C ATOM 596 C ARG A 44 -3.186 -4.446 0.724 1.00 0.00 C ATOM 597 O ARG A 44 -2.666 -3.763 1.601 1.00 0.00 O ATOM 598 CB ARG A 44 -1.455 -6.310 0.995 1.00 0.00 C ATOM 599 CG ARG A 44 -0.572 -7.403 0.337 1.00 0.00 C ATOM 600 CD ARG A 44 0.504 -7.970 1.281 1.00 0.00 C ATOM 601 NE ARG A 44 1.405 -8.912 0.571 1.00 0.00 N ATOM 602 CZ ARG A 44 2.749 -8.861 0.567 1.00 0.00 C ATOM 603 NH1 ARG A 44 3.386 -7.905 1.212 1.00 0.00 N ATOM 604 NH2 ARG A 44 3.445 -9.754 -0.114 1.00 0.00 N ATOM 0 H ARG A 44 -1.001 -4.108 -0.719 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.069 -6.235 -0.453 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.808 -5.598 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.082 -6.776 1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.210 -8.218 -0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.087 -6.985 -0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.089 -7.152 1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.025 -8.482 2.116 1.00 0.00 H new ATOM 0 HE ARG A 44 0.966 -9.664 0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.860 -7.195 1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.406 -7.875 1.203 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.963 -10.484 -0.638 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.464 -9.713 -0.115 1.00 0.00 H new ATOM 618 N PHE A 45 -4.461 -4.285 0.336 1.00 0.00 N ATOM 619 CA PHE A 45 -5.354 -3.262 0.925 1.00 0.00 C ATOM 620 C PHE A 45 -5.816 -3.693 2.321 1.00 0.00 C ATOM 621 O PHE A 45 -6.043 -4.884 2.557 1.00 0.00 O ATOM 622 CB PHE A 45 -6.583 -3.003 0.017 1.00 0.00 C ATOM 623 CG PHE A 45 -6.239 -2.371 -1.333 1.00 0.00 C ATOM 624 CD1 PHE A 45 -5.771 -3.152 -2.387 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.378 -0.996 -1.545 1.00 0.00 C ATOM 626 CE1 PHE A 45 -5.466 -2.583 -3.608 1.00 0.00 C ATOM 627 CE2 PHE A 45 -6.070 -0.430 -2.767 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.612 -1.221 -3.796 1.00 0.00 C ATOM 0 H PHE A 45 -4.903 -4.852 -0.387 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.788 -2.334 1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.099 -3.948 -0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.280 -2.352 0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.645 -4.216 -2.248 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.731 -0.367 -0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.113 -3.204 -4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.189 0.633 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.367 -0.778 -4.750 1.00 0.00 H new ATOM 638 N ILE A 46 -5.936 -2.724 3.249 1.00 0.00 N ATOM 639 CA ILE A 46 -6.497 -2.962 4.585 1.00 0.00 C ATOM 640 C ILE A 46 -8.016 -2.813 4.490 1.00 0.00 C ATOM 641 O ILE A 46 -8.563 -1.699 4.558 1.00 0.00 O ATOM 642 CB ILE A 46 -5.891 -1.964 5.643 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.336 -2.054 5.627 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.448 -2.238 7.070 1.00 0.00 C ATOM 645 CD1 ILE A 46 -3.621 -0.970 6.395 1.00 0.00 C ATOM 0 H ILE A 46 -5.647 -1.759 3.091 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.242 -3.966 4.923 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.189 -0.952 5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.040 -3.021 6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.997 -2.027 4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.009 -1.531 7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.532 -2.120 7.066 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.194 -3.255 7.371 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.544 -1.122 6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.879 0.003 5.977 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.922 -1.006 7.442 1.00 0.00 H new ATOM 657 N TYR A 47 -8.669 -3.945 4.215 1.00 0.00 N ATOM 658 CA TYR A 47 -10.127 -4.028 4.107 1.00 0.00 C ATOM 659 C TYR A 47 -10.762 -3.908 5.505 1.00 0.00 C ATOM 660 O TYR A 47 -10.116 -4.196 6.523 1.00 0.00 O ATOM 661 CB TYR A 47 -10.564 -5.359 3.438 1.00 0.00 C ATOM 662 CG TYR A 47 -9.817 -5.691 2.137 1.00 0.00 C ATOM 663 CD1 TYR A 47 -10.165 -5.088 0.929 1.00 0.00 C ATOM 664 CD2 TYR A 47 -8.753 -6.598 2.127 1.00 0.00 C ATOM 665 CE1 TYR A 47 -9.481 -5.378 -0.235 1.00 0.00 C ATOM 666 CE2 TYR A 47 -8.068 -6.882 0.967 1.00 0.00 C ATOM 667 CZ TYR A 47 -8.435 -6.273 -0.209 1.00 0.00 C ATOM 668 OH TYR A 47 -7.744 -6.553 -1.363 1.00 0.00 O ATOM 0 H TYR A 47 -8.197 -4.836 4.060 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.471 -3.205 3.480 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.414 -6.174 4.146 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.632 -5.312 3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.983 -4.383 0.903 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.463 -7.085 3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.766 -4.904 -1.163 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.245 -7.581 0.981 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.036 -7.203 -1.171 1.00 0.00 H new ATOM 678 N THR A 48 -12.022 -3.481 5.533 1.00 0.00 N ATOM 679 CA THR A 48 -12.810 -3.324 6.756 1.00 0.00 C ATOM 680 C THR A 48 -13.457 -4.661 7.157 1.00 0.00 C ATOM 681 O THR A 48 -13.201 -5.711 6.540 1.00 0.00 O ATOM 682 CB THR A 48 -13.918 -2.239 6.517 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.664 -2.574 5.329 1.00 0.00 O ATOM 684 CG2 THR A 48 -13.327 -0.828 6.365 1.00 0.00 C ATOM 0 H THR A 48 -12.536 -3.229 4.689 1.00 0.00 H new ATOM 0 HA THR A 48 -12.154 -3.007 7.567 1.00 0.00 H new ATOM 0 HB THR A 48 -14.569 -2.232 7.391 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.163 -2.288 4.537 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.132 -0.112 6.201 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.783 -0.562 7.271 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.646 -0.809 5.514 1.00 0.00 H new ATOM 692 N ARG A 49 -14.319 -4.604 8.185 1.00 0.00 N ATOM 693 CA ARG A 49 -15.211 -5.720 8.553 1.00 0.00 C ATOM 694 C ARG A 49 -16.222 -6.013 7.418 1.00 0.00 C ATOM 695 O ARG A 49 -16.824 -7.085 7.368 1.00 0.00 O ATOM 696 CB ARG A 49 -15.963 -5.379 9.868 1.00 0.00 C ATOM 697 CG ARG A 49 -16.969 -4.205 9.746 1.00 0.00 C ATOM 698 CD ARG A 49 -17.680 -3.868 11.071 1.00 0.00 C ATOM 699 NE ARG A 49 -18.339 -5.048 11.663 1.00 0.00 N ATOM 700 CZ ARG A 49 -19.619 -5.419 11.481 1.00 0.00 C ATOM 701 NH1 ARG A 49 -20.425 -4.753 10.657 1.00 0.00 N ATOM 702 NH2 ARG A 49 -20.072 -6.489 12.111 1.00 0.00 N ATOM 0 H ARG A 49 -14.419 -3.785 8.785 1.00 0.00 H new ATOM 0 HA ARG A 49 -14.606 -6.613 8.707 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.498 -6.266 10.206 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.231 -5.135 10.638 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.442 -3.320 9.390 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.717 -4.454 8.994 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.955 -3.465 11.778 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -18.422 -3.089 10.896 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.769 -5.639 12.268 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -20.076 -3.942 10.147 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -21.392 -5.054 10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -19.453 -7.020 12.724 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -21.040 -6.784 11.984 1.00 0.00 H new ATOM 716 N GLU A 50 -16.378 -5.029 6.508 1.00 0.00 N ATOM 717 CA GLU A 50 -17.293 -5.086 5.362 1.00 0.00 C ATOM 718 C GLU A 50 -16.615 -5.719 4.129 1.00 0.00 C ATOM 719 O GLU A 50 -17.271 -5.928 3.101 1.00 0.00 O ATOM 720 CB GLU A 50 -17.749 -3.637 5.032 1.00 0.00 C ATOM 721 CG GLU A 50 -18.452 -2.898 6.192 1.00 0.00 C ATOM 722 CD GLU A 50 -19.758 -3.572 6.660 1.00 0.00 C ATOM 723 OE1 GLU A 50 -20.624 -3.872 5.806 1.00 0.00 O ATOM 724 OE2 GLU A 50 -19.937 -3.774 7.885 1.00 0.00 O ATOM 0 H GLU A 50 -15.856 -4.154 6.556 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.149 -5.710 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.878 -3.058 4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.426 -3.670 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -17.766 -2.831 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -18.673 -1.877 5.879 1.00 0.00 H new ATOM 731 N GLY A 51 -15.297 -5.998 4.241 1.00 0.00 N ATOM 732 CA GLY A 51 -14.512 -6.584 3.141 1.00 0.00 C ATOM 733 C GLY A 51 -14.261 -5.609 1.993 1.00 0.00 C ATOM 734 O GLY A 51 -14.246 -6.002 0.823 1.00 0.00 O ATOM 0 H GLY A 51 -14.756 -5.824 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.555 -6.930 3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.035 -7.460 2.757 1.00 0.00 H new ATOM 738 N ARG A 52 -14.075 -4.330 2.351 1.00 0.00 N ATOM 739 CA ARG A 52 -13.823 -3.224 1.395 1.00 0.00 C ATOM 740 C ARG A 52 -12.722 -2.296 1.941 1.00 0.00 C ATOM 741 O ARG A 52 -12.726 -2.017 3.142 1.00 0.00 O ATOM 742 CB ARG A 52 -15.143 -2.440 1.134 1.00 0.00 C ATOM 743 CG ARG A 52 -16.077 -3.084 0.075 1.00 0.00 C ATOM 744 CD ARG A 52 -17.558 -2.687 0.250 1.00 0.00 C ATOM 745 NE ARG A 52 -18.207 -3.467 1.322 1.00 0.00 N ATOM 746 CZ ARG A 52 -19.449 -3.286 1.776 1.00 0.00 C ATOM 747 NH1 ARG A 52 -20.180 -2.255 1.384 1.00 0.00 N ATOM 748 NH2 ARG A 52 -19.954 -4.146 2.649 1.00 0.00 N ATOM 0 H ARG A 52 -14.094 -4.023 3.324 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.478 -3.635 0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.688 -2.349 2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.892 -1.429 0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.744 -2.790 -0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.989 -4.169 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.625 -1.624 0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -18.091 -2.844 -0.688 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.658 -4.210 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.796 -1.580 0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -21.127 -2.135 1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.394 -4.937 2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.902 -4.017 3.002 1.00 0.00 H new ATOM 762 N PRO A 53 -11.769 -1.798 1.062 1.00 0.00 N ATOM 763 CA PRO A 53 -10.629 -0.937 1.492 1.00 0.00 C ATOM 764 C PRO A 53 -11.099 0.277 2.308 1.00 0.00 C ATOM 765 O PRO A 53 -12.003 0.997 1.879 1.00 0.00 O ATOM 766 CB PRO A 53 -9.974 -0.491 0.155 1.00 0.00 C ATOM 767 CG PRO A 53 -10.354 -1.561 -0.816 1.00 0.00 C ATOM 768 CD PRO A 53 -11.740 -2.016 -0.411 1.00 0.00 C ATOM 0 HA PRO A 53 -9.940 -1.468 2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.343 0.484 -0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.891 -0.407 0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.351 -1.181 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.646 -2.389 -0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.514 -1.439 -0.916 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.907 -3.063 -0.664 1.00 0.00 H new ATOM 776 N SER A 54 -10.491 0.470 3.481 1.00 0.00 N ATOM 777 CA SER A 54 -10.889 1.519 4.415 1.00 0.00 C ATOM 778 C SER A 54 -10.398 2.884 3.883 1.00 0.00 C ATOM 779 O SER A 54 -11.198 3.714 3.431 1.00 0.00 O ATOM 780 CB SER A 54 -10.311 1.194 5.813 1.00 0.00 C ATOM 781 OG SER A 54 -10.717 2.137 6.785 1.00 0.00 O ATOM 0 H SER A 54 -9.709 -0.098 3.807 1.00 0.00 H new ATOM 0 HA SER A 54 -11.974 1.570 4.506 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.634 0.198 6.117 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.222 1.174 5.760 1.00 0.00 H new ATOM 0 HG SER A 54 -10.333 1.897 7.654 1.00 0.00 H new ATOM 787 N GLY A 55 -9.068 3.057 3.885 1.00 0.00 N ATOM 788 CA GLY A 55 -8.420 4.276 3.369 1.00 0.00 C ATOM 789 C GLY A 55 -6.906 4.149 3.263 1.00 0.00 C ATOM 790 O GLY A 55 -6.246 5.011 2.677 1.00 0.00 O ATOM 0 H GLY A 55 -8.413 2.361 4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.829 4.509 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.663 5.114 4.022 1.00 0.00 H new ATOM 794 N GLU A 56 -6.351 3.089 3.864 1.00 0.00 N ATOM 795 CA GLU A 56 -4.924 2.773 3.816 1.00 0.00 C ATOM 796 C GLU A 56 -4.691 1.316 3.387 1.00 0.00 C ATOM 797 O GLU A 56 -5.626 0.501 3.327 1.00 0.00 O ATOM 798 CB GLU A 56 -4.244 3.076 5.188 1.00 0.00 C ATOM 799 CG GLU A 56 -4.813 2.332 6.424 1.00 0.00 C ATOM 800 CD GLU A 56 -6.229 2.763 6.846 1.00 0.00 C ATOM 801 OE1 GLU A 56 -6.360 3.791 7.532 1.00 0.00 O ATOM 802 OE2 GLU A 56 -7.213 2.091 6.475 1.00 0.00 O ATOM 0 H GLU A 56 -6.894 2.417 4.406 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.462 3.413 3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.184 2.835 5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.314 4.148 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.822 1.263 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.137 2.485 7.265 1.00 0.00 H new ATOM 809 N ALA A 57 -3.422 1.024 3.082 1.00 0.00 N ATOM 810 CA ALA A 57 -2.963 -0.288 2.599 1.00 0.00 C ATOM 811 C ALA A 57 -1.497 -0.501 2.979 1.00 0.00 C ATOM 812 O ALA A 57 -0.856 0.396 3.507 1.00 0.00 O ATOM 813 CB ALA A 57 -3.127 -0.387 1.072 1.00 0.00 C ATOM 0 H ALA A 57 -2.668 1.706 3.165 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.571 -1.062 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.783 -1.364 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.177 -0.261 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.537 0.393 0.591 1.00 0.00 H new ATOM 819 N PHE A 58 -0.998 -1.717 2.748 1.00 0.00 N ATOM 820 CA PHE A 58 0.438 -2.049 2.767 1.00 0.00 C ATOM 821 C PHE A 58 0.843 -2.606 1.392 1.00 0.00 C ATOM 822 O PHE A 58 0.279 -3.595 0.927 1.00 0.00 O ATOM 823 CB PHE A 58 0.752 -3.075 3.888 1.00 0.00 C ATOM 824 CG PHE A 58 0.843 -2.471 5.289 1.00 0.00 C ATOM 825 CD1 PHE A 58 -0.293 -2.271 6.055 1.00 0.00 C ATOM 826 CD2 PHE A 58 2.072 -2.100 5.837 1.00 0.00 C ATOM 827 CE1 PHE A 58 -0.206 -1.723 7.316 1.00 0.00 C ATOM 828 CE2 PHE A 58 2.150 -1.556 7.102 1.00 0.00 C ATOM 829 CZ PHE A 58 1.011 -1.366 7.839 1.00 0.00 C ATOM 0 H PHE A 58 -1.590 -2.520 2.537 1.00 0.00 H new ATOM 0 HA PHE A 58 1.013 -1.147 2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.020 -3.844 3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.695 -3.570 3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.259 -2.548 5.659 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.975 -2.241 5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.104 -1.573 7.898 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.110 -1.280 7.512 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.071 -0.937 8.828 1.00 0.00 H new ATOM 839 N VAL A 59 1.816 -1.957 0.749 1.00 0.00 N ATOM 840 CA VAL A 59 2.320 -2.335 -0.583 1.00 0.00 C ATOM 841 C VAL A 59 3.791 -2.749 -0.448 1.00 0.00 C ATOM 842 O VAL A 59 4.625 -1.930 -0.046 1.00 0.00 O ATOM 843 CB VAL A 59 2.166 -1.126 -1.589 1.00 0.00 C ATOM 844 CG1 VAL A 59 2.803 -1.427 -2.966 1.00 0.00 C ATOM 845 CG2 VAL A 59 0.674 -0.732 -1.742 1.00 0.00 C ATOM 0 H VAL A 59 2.286 -1.141 1.141 1.00 0.00 H new ATOM 0 HA VAL A 59 1.743 -3.171 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 59 2.709 -0.280 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.672 -0.567 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.867 -1.628 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.320 -2.298 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.588 0.102 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.110 -1.583 -2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.274 -0.437 -0.772 1.00 0.00 H new ATOM 855 N GLU A 60 4.106 -4.020 -0.764 1.00 0.00 N ATOM 856 CA GLU A 60 5.479 -4.538 -0.651 1.00 0.00 C ATOM 857 C GLU A 60 6.246 -4.232 -1.939 1.00 0.00 C ATOM 858 O GLU A 60 5.672 -4.228 -3.030 1.00 0.00 O ATOM 859 CB GLU A 60 5.501 -6.056 -0.345 1.00 0.00 C ATOM 860 CG GLU A 60 6.902 -6.608 0.028 1.00 0.00 C ATOM 861 CD GLU A 60 6.892 -8.086 0.466 1.00 0.00 C ATOM 862 OE1 GLU A 60 6.262 -8.403 1.492 1.00 0.00 O ATOM 863 OE2 GLU A 60 7.528 -8.928 -0.202 1.00 0.00 O ATOM 0 H GLU A 60 3.428 -4.704 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 60 5.965 -4.040 0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.812 -6.260 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.130 -6.596 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.566 -6.497 -0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.318 -6.003 0.833 1.00 0.00 H new ATOM 870 N LEU A 61 7.551 -3.998 -1.786 1.00 0.00 N ATOM 871 CA LEU A 61 8.427 -3.481 -2.847 1.00 0.00 C ATOM 872 C LEU A 61 9.690 -4.352 -2.970 1.00 0.00 C ATOM 873 O LEU A 61 10.091 -5.025 -2.014 1.00 0.00 O ATOM 874 CB LEU A 61 8.766 -1.996 -2.544 1.00 0.00 C ATOM 875 CG LEU A 61 7.520 -1.039 -2.439 1.00 0.00 C ATOM 876 CD1 LEU A 61 7.924 0.379 -2.022 1.00 0.00 C ATOM 877 CD2 LEU A 61 6.711 -1.015 -3.755 1.00 0.00 C ATOM 0 H LEU A 61 8.040 -4.165 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 61 7.918 -3.525 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.321 -1.949 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.427 -1.623 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 61 6.877 -1.442 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.035 1.007 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.413 0.347 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.612 0.793 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.859 -0.344 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.348 -0.664 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.355 -2.020 -3.982 1.00 0.00 H new ATOM 889 N GLU A 62 10.307 -4.319 -4.162 1.00 0.00 N ATOM 890 CA GLU A 62 11.428 -5.206 -4.539 1.00 0.00 C ATOM 891 C GLU A 62 12.708 -4.866 -3.752 1.00 0.00 C ATOM 892 O GLU A 62 13.570 -5.730 -3.543 1.00 0.00 O ATOM 893 CB GLU A 62 11.685 -5.094 -6.069 1.00 0.00 C ATOM 894 CG GLU A 62 12.673 -6.134 -6.634 1.00 0.00 C ATOM 895 CD GLU A 62 12.949 -5.947 -8.136 1.00 0.00 C ATOM 896 OE1 GLU A 62 12.131 -6.400 -8.965 1.00 0.00 O ATOM 897 OE2 GLU A 62 13.985 -5.348 -8.491 1.00 0.00 O ATOM 0 H GLU A 62 10.041 -3.669 -4.902 1.00 0.00 H new ATOM 0 HA GLU A 62 11.155 -6.231 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.734 -5.195 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.065 -4.096 -6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.613 -6.069 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.275 -7.135 -6.465 1.00 0.00 H new ATOM 904 N SER A 63 12.814 -3.606 -3.319 1.00 0.00 N ATOM 905 CA SER A 63 13.972 -3.099 -2.576 1.00 0.00 C ATOM 906 C SER A 63 13.539 -2.010 -1.602 1.00 0.00 C ATOM 907 O SER A 63 12.466 -1.409 -1.750 1.00 0.00 O ATOM 908 CB SER A 63 15.029 -2.540 -3.552 1.00 0.00 C ATOM 909 OG SER A 63 15.564 -3.567 -4.371 1.00 0.00 O ATOM 0 H SER A 63 12.092 -2.903 -3.476 1.00 0.00 H new ATOM 0 HA SER A 63 14.410 -3.923 -2.013 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.579 -1.770 -4.178 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.832 -2.064 -2.989 1.00 0.00 H new ATOM 0 HG SER A 63 16.230 -3.186 -4.981 1.00 0.00 H new ATOM 915 N GLU A 64 14.398 -1.760 -0.606 1.00 0.00 N ATOM 916 CA GLU A 64 14.238 -0.635 0.328 1.00 0.00 C ATOM 917 C GLU A 64 14.573 0.700 -0.411 1.00 0.00 C ATOM 918 O GLU A 64 14.210 1.783 0.048 1.00 0.00 O ATOM 919 CB GLU A 64 15.108 -0.897 1.601 1.00 0.00 C ATOM 920 CG GLU A 64 14.725 -0.109 2.888 1.00 0.00 C ATOM 921 CD GLU A 64 15.221 1.345 2.914 1.00 0.00 C ATOM 922 OE1 GLU A 64 16.453 1.553 2.813 1.00 0.00 O ATOM 923 OE2 GLU A 64 14.397 2.283 3.052 1.00 0.00 O ATOM 0 H GLU A 64 15.224 -2.331 -0.424 1.00 0.00 H new ATOM 0 HA GLU A 64 13.208 -0.544 0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.064 -1.962 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.145 -0.666 1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.640 -0.112 2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.129 -0.633 3.754 1.00 0.00 H new ATOM 930 N ASP A 65 15.228 0.596 -1.591 1.00 0.00 N ATOM 931 CA ASP A 65 15.420 1.742 -2.507 1.00 0.00 C ATOM 932 C ASP A 65 14.084 2.113 -3.189 1.00 0.00 C ATOM 933 O ASP A 65 13.795 3.294 -3.407 1.00 0.00 O ATOM 934 CB ASP A 65 16.505 1.421 -3.564 1.00 0.00 C ATOM 935 CG ASP A 65 16.906 2.652 -4.400 1.00 0.00 C ATOM 936 OD1 ASP A 65 17.674 3.504 -3.886 1.00 0.00 O ATOM 937 OD2 ASP A 65 16.466 2.781 -5.569 1.00 0.00 O ATOM 0 H ASP A 65 15.634 -0.276 -1.931 1.00 0.00 H new ATOM 0 HA ASP A 65 15.759 2.598 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.388 1.024 -3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.138 0.639 -4.229 1.00 0.00 H new ATOM 942 N GLU A 66 13.289 1.088 -3.554 1.00 0.00 N ATOM 943 CA GLU A 66 11.891 1.289 -4.007 1.00 0.00 C ATOM 944 C GLU A 66 11.037 1.938 -2.894 1.00 0.00 C ATOM 945 O GLU A 66 10.125 2.718 -3.183 1.00 0.00 O ATOM 946 CB GLU A 66 11.235 -0.044 -4.466 1.00 0.00 C ATOM 947 CG GLU A 66 12.049 -0.870 -5.481 1.00 0.00 C ATOM 948 CD GLU A 66 12.597 -0.036 -6.644 1.00 0.00 C ATOM 949 OE1 GLU A 66 11.798 0.469 -7.457 1.00 0.00 O ATOM 950 OE2 GLU A 66 13.830 0.098 -6.764 1.00 0.00 O ATOM 0 H GLU A 66 13.587 0.113 -3.545 1.00 0.00 H new ATOM 0 HA GLU A 66 11.928 1.961 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.052 -0.660 -3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.263 0.182 -4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.880 -1.350 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.419 -1.666 -5.879 1.00 0.00 H new ATOM 957 N VAL A 67 11.353 1.597 -1.623 1.00 0.00 N ATOM 958 CA VAL A 67 10.703 2.200 -0.441 1.00 0.00 C ATOM 959 C VAL A 67 11.003 3.714 -0.388 1.00 0.00 C ATOM 960 O VAL A 67 10.125 4.493 -0.041 1.00 0.00 O ATOM 961 CB VAL A 67 11.138 1.453 0.883 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.693 2.178 2.177 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.610 -0.007 0.882 1.00 0.00 C ATOM 0 H VAL A 67 12.061 0.901 -1.391 1.00 0.00 H new ATOM 0 HA VAL A 67 9.623 2.081 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 67 12.228 1.453 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.025 1.609 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.134 3.175 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.606 2.261 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.919 -0.506 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.522 -0.000 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.018 -0.541 0.024 1.00 0.00 H new ATOM 973 N LYS A 68 12.236 4.112 -0.776 1.00 0.00 N ATOM 974 CA LYS A 68 12.603 5.550 -0.961 1.00 0.00 C ATOM 975 C LYS A 68 11.677 6.232 -2.006 1.00 0.00 C ATOM 976 O LYS A 68 11.141 7.318 -1.760 1.00 0.00 O ATOM 977 CB LYS A 68 14.083 5.733 -1.415 1.00 0.00 C ATOM 978 CG LYS A 68 15.141 4.963 -0.602 1.00 0.00 C ATOM 979 CD LYS A 68 15.126 5.264 0.911 1.00 0.00 C ATOM 980 CE LYS A 68 16.338 4.646 1.635 1.00 0.00 C ATOM 981 NZ LYS A 68 16.203 4.706 3.110 1.00 0.00 N ATOM 0 H LYS A 68 12.999 3.464 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 68 12.477 6.020 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.162 5.427 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.325 6.795 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.987 3.894 -0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.129 5.200 -0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.123 6.343 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.206 4.876 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.453 3.607 1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.245 5.171 1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.140 4.605 3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.790 5.620 3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.584 3.935 3.434 1.00 0.00 H new ATOM 995 N LEU A 69 11.500 5.570 -3.172 1.00 0.00 N ATOM 996 CA LEU A 69 10.646 6.071 -4.284 1.00 0.00 C ATOM 997 C LEU A 69 9.160 6.184 -3.870 1.00 0.00 C ATOM 998 O LEU A 69 8.393 6.977 -4.429 1.00 0.00 O ATOM 999 CB LEU A 69 10.785 5.157 -5.525 1.00 0.00 C ATOM 1000 CG LEU A 69 12.229 5.011 -6.101 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.243 4.089 -7.334 1.00 0.00 C ATOM 1002 CD2 LEU A 69 12.849 6.389 -6.426 1.00 0.00 C ATOM 0 H LEU A 69 11.943 4.673 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 69 10.995 7.073 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.415 4.165 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.137 5.543 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 69 12.846 4.548 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.261 4.005 -7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.878 3.101 -7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.600 4.507 -8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.854 6.251 -6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.232 6.900 -7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.899 6.989 -5.517 1.00 0.00 H new ATOM 1014 N ALA A 70 8.785 5.362 -2.891 1.00 0.00 N ATOM 1015 CA ALA A 70 7.448 5.378 -2.293 1.00 0.00 C ATOM 1016 C ALA A 70 7.316 6.550 -1.290 1.00 0.00 C ATOM 1017 O ALA A 70 6.319 7.269 -1.299 1.00 0.00 O ATOM 1018 CB ALA A 70 7.161 4.025 -1.639 1.00 0.00 C ATOM 0 H ALA A 70 9.405 4.660 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 70 6.702 5.539 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.166 4.039 -1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.211 3.239 -2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.902 3.831 -0.863 1.00 0.00 H new ATOM 1024 N LEU A 71 8.336 6.736 -0.429 1.00 0.00 N ATOM 1025 CA LEU A 71 8.355 7.815 0.592 1.00 0.00 C ATOM 1026 C LEU A 71 8.443 9.228 -0.025 1.00 0.00 C ATOM 1027 O LEU A 71 7.942 10.184 0.556 1.00 0.00 O ATOM 1028 CB LEU A 71 9.508 7.593 1.609 1.00 0.00 C ATOM 1029 CG LEU A 71 9.434 6.269 2.437 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.527 6.210 3.519 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.036 6.067 3.045 1.00 0.00 C ATOM 0 H LEU A 71 9.169 6.148 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 71 7.401 7.760 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.454 7.609 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.523 8.434 2.303 1.00 0.00 H new ATOM 0 HG LEU A 71 9.618 5.446 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.441 5.275 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.508 6.264 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.406 7.049 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.018 5.138 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.802 6.902 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.296 6.018 2.247 1.00 0.00 H new ATOM 1043 N LYS A 72 9.060 9.352 -1.211 1.00 0.00 N ATOM 1044 CA LYS A 72 9.117 10.647 -1.932 1.00 0.00 C ATOM 1045 C LYS A 72 7.769 10.921 -2.633 1.00 0.00 C ATOM 1046 O LYS A 72 7.492 12.041 -3.058 1.00 0.00 O ATOM 1047 CB LYS A 72 10.283 10.687 -2.954 1.00 0.00 C ATOM 1048 CG LYS A 72 10.137 9.740 -4.161 1.00 0.00 C ATOM 1049 CD LYS A 72 11.286 9.876 -5.182 1.00 0.00 C ATOM 1050 CE LYS A 72 11.386 11.293 -5.787 1.00 0.00 C ATOM 1051 NZ LYS A 72 12.434 11.391 -6.835 1.00 0.00 N ATOM 0 H LYS A 72 9.525 8.582 -1.693 1.00 0.00 H new ATOM 0 HA LYS A 72 9.304 11.431 -1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.384 11.707 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.209 10.444 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.096 8.711 -3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.190 9.942 -4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.229 9.626 -4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.140 9.153 -5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.422 11.571 -6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.602 12.009 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.461 12.361 -7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.359 11.152 -6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.217 10.728 -7.606 1.00 0.00 H new ATOM 1065 N LYS A 73 6.950 9.863 -2.747 1.00 0.00 N ATOM 1066 CA LYS A 73 5.587 9.913 -3.302 1.00 0.00 C ATOM 1067 C LYS A 73 4.554 10.266 -2.197 1.00 0.00 C ATOM 1068 O LYS A 73 3.374 10.510 -2.489 1.00 0.00 O ATOM 1069 CB LYS A 73 5.304 8.545 -3.979 1.00 0.00 C ATOM 1070 CG LYS A 73 4.024 8.457 -4.830 1.00 0.00 C ATOM 1071 CD LYS A 73 3.989 7.178 -5.698 1.00 0.00 C ATOM 1072 CE LYS A 73 5.149 7.117 -6.711 1.00 0.00 C ATOM 1073 NZ LYS A 73 5.111 8.259 -7.668 1.00 0.00 N ATOM 0 H LYS A 73 7.223 8.927 -2.449 1.00 0.00 H new ATOM 0 HA LYS A 73 5.497 10.701 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.154 8.295 -4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.251 7.783 -3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.152 8.474 -4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.957 9.334 -5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.031 6.302 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.041 7.133 -6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.099 7.123 -6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.100 6.179 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.748 8.064 -8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.141 8.384 -8.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.418 9.127 -7.185 1.00 0.00 H new ATOM 1087 N ASP A 74 5.025 10.293 -0.923 1.00 0.00 N ATOM 1088 CA ASP A 74 4.249 10.814 0.227 1.00 0.00 C ATOM 1089 C ASP A 74 3.998 12.327 0.021 1.00 0.00 C ATOM 1090 O ASP A 74 4.865 13.142 0.370 1.00 0.00 O ATOM 1091 CB ASP A 74 5.015 10.546 1.561 1.00 0.00 C ATOM 1092 CG ASP A 74 4.355 11.157 2.826 1.00 0.00 C ATOM 1093 OD1 ASP A 74 4.656 12.321 3.181 1.00 0.00 O ATOM 1094 OD2 ASP A 74 3.541 10.481 3.483 1.00 0.00 O ATOM 0 H ASP A 74 5.952 9.954 -0.667 1.00 0.00 H new ATOM 0 HA ASP A 74 3.289 10.302 0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.106 9.469 1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.026 10.942 1.469 1.00 0.00 H new ATOM 1099 N ARG A 75 2.823 12.639 -0.589 1.00 0.00 N ATOM 1100 CA ARG A 75 2.349 14.002 -0.968 1.00 0.00 C ATOM 1101 C ARG A 75 1.370 13.878 -2.145 1.00 0.00 C ATOM 1102 O ARG A 75 0.243 14.382 -2.092 1.00 0.00 O ATOM 1103 CB ARG A 75 3.491 14.973 -1.399 1.00 0.00 C ATOM 1104 CG ARG A 75 3.068 16.436 -1.686 1.00 0.00 C ATOM 1105 CD ARG A 75 4.257 17.291 -2.153 1.00 0.00 C ATOM 1106 NE ARG A 75 3.913 18.722 -2.289 1.00 0.00 N ATOM 1107 CZ ARG A 75 4.751 19.750 -2.037 1.00 0.00 C ATOM 1108 NH1 ARG A 75 5.975 19.530 -1.572 1.00 0.00 N ATOM 1109 NH2 ARG A 75 4.354 20.997 -2.246 1.00 0.00 N ATOM 0 H ARG A 75 2.149 11.916 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 75 1.883 14.422 -0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.248 14.982 -0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.964 14.570 -2.295 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.290 16.447 -2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.637 16.873 -0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.077 17.185 -1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.615 16.915 -3.111 1.00 0.00 H new ATOM 0 HE ARG A 75 2.968 18.951 -2.598 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.292 18.576 -1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.599 20.315 -1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.414 21.181 -2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.988 21.773 -2.055 1.00 0.00 H new ATOM 1123 N GLU A 76 1.845 13.188 -3.205 1.00 0.00 N ATOM 1124 CA GLU A 76 1.208 13.147 -4.538 1.00 0.00 C ATOM 1125 C GLU A 76 -0.283 12.737 -4.494 1.00 0.00 C ATOM 1126 O GLU A 76 -0.675 11.852 -3.737 1.00 0.00 O ATOM 1127 CB GLU A 76 2.013 12.205 -5.468 1.00 0.00 C ATOM 1128 CG GLU A 76 3.464 12.657 -5.746 1.00 0.00 C ATOM 1129 CD GLU A 76 4.183 11.785 -6.789 1.00 0.00 C ATOM 1130 OE1 GLU A 76 3.693 11.704 -7.930 1.00 0.00 O ATOM 1131 OE2 GLU A 76 5.250 11.204 -6.489 1.00 0.00 O ATOM 0 H GLU A 76 2.699 12.633 -3.156 1.00 0.00 H new ATOM 0 HA GLU A 76 1.224 14.162 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.036 11.210 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.486 12.117 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.455 13.691 -6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.029 12.636 -4.814 1.00 0.00 H new ATOM 1138 N THR A 77 -1.080 13.389 -5.352 1.00 0.00 N ATOM 1139 CA THR A 77 -2.547 13.275 -5.370 1.00 0.00 C ATOM 1140 C THR A 77 -3.028 12.048 -6.155 1.00 0.00 C ATOM 1141 O THR A 77 -2.676 11.893 -7.326 1.00 0.00 O ATOM 1142 CB THR A 77 -3.188 14.577 -5.977 1.00 0.00 C ATOM 1143 OG1 THR A 77 -2.477 14.988 -7.155 1.00 0.00 O ATOM 1144 CG2 THR A 77 -3.200 15.721 -4.955 1.00 0.00 C ATOM 0 H THR A 77 -0.718 14.022 -6.066 1.00 0.00 H new ATOM 0 HA THR A 77 -2.869 13.152 -4.336 1.00 0.00 H new ATOM 0 HB THR A 77 -4.218 14.342 -6.244 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.232 14.198 -7.681 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.649 16.606 -5.405 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.781 15.423 -4.082 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.178 15.948 -4.650 1.00 0.00 H new ATOM 1152 N MET A 78 -3.865 11.200 -5.512 1.00 0.00 N ATOM 1153 CA MET A 78 -4.440 9.985 -6.139 1.00 0.00 C ATOM 1154 C MET A 78 -5.678 10.385 -6.967 1.00 0.00 C ATOM 1155 O MET A 78 -6.800 10.381 -6.447 1.00 0.00 O ATOM 1156 CB MET A 78 -4.814 8.920 -5.050 1.00 0.00 C ATOM 1157 CG MET A 78 -5.466 7.628 -5.588 1.00 0.00 C ATOM 1158 SD MET A 78 -4.434 6.710 -6.761 1.00 0.00 S ATOM 1159 CE MET A 78 -3.167 6.022 -5.696 1.00 0.00 C ATOM 0 H MET A 78 -4.161 11.338 -4.546 1.00 0.00 H new ATOM 0 HA MET A 78 -3.699 9.532 -6.797 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.910 8.651 -4.503 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.495 9.380 -4.334 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.707 6.978 -4.747 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.408 7.884 -6.073 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.842 5.060 -6.092 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.317 6.703 -5.655 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.570 5.884 -4.693 1.00 0.00 H new ATOM 1169 N GLY A 79 -5.447 10.790 -8.232 1.00 0.00 N ATOM 1170 CA GLY A 79 -6.519 11.255 -9.127 1.00 0.00 C ATOM 1171 C GLY A 79 -7.047 12.622 -8.702 1.00 0.00 C ATOM 1172 O GLY A 79 -6.721 13.645 -9.308 1.00 0.00 O ATOM 0 H GLY A 79 -4.520 10.803 -8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.143 11.310 -10.149 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.335 10.532 -9.126 1.00 0.00 H new ATOM 1176 N HIS A 80 -7.856 12.627 -7.630 1.00 0.00 N ATOM 1177 CA HIS A 80 -8.322 13.851 -6.952 1.00 0.00 C ATOM 1178 C HIS A 80 -7.738 13.909 -5.527 1.00 0.00 C ATOM 1179 O HIS A 80 -7.275 14.967 -5.082 1.00 0.00 O ATOM 1180 CB HIS A 80 -9.870 13.871 -6.878 1.00 0.00 C ATOM 1181 CG HIS A 80 -10.564 14.028 -8.204 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -10.962 15.251 -8.699 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -10.949 13.114 -9.125 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -11.558 15.083 -9.862 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -11.562 13.796 -10.145 1.00 0.00 N ATOM 0 H HIS A 80 -8.210 11.771 -7.203 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.984 14.717 -7.522 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.209 12.945 -6.414 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.178 14.687 -6.224 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.801 12.046 -9.067 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.973 15.867 -10.479 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -11.957 13.375 -10.986 1.00 0.00 H new ATOM 1194 N ARG A 81 -7.802 12.751 -4.820 1.00 0.00 N ATOM 1195 CA ARG A 81 -7.424 12.592 -3.394 1.00 0.00 C ATOM 1196 C ARG A 81 -5.893 12.785 -3.168 1.00 0.00 C ATOM 1197 O ARG A 81 -5.269 13.530 -3.891 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.958 11.201 -2.915 1.00 0.00 C ATOM 1199 CG ARG A 81 -8.110 11.032 -1.385 1.00 0.00 C ATOM 1200 CD ARG A 81 -8.771 9.700 -0.998 1.00 0.00 C ATOM 1201 NE ARG A 81 -8.843 9.526 0.467 1.00 0.00 N ATOM 1202 CZ ARG A 81 -9.782 8.830 1.121 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -10.802 8.271 0.475 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -9.689 8.705 2.431 1.00 0.00 N ATOM 0 H ARG A 81 -8.127 11.880 -5.239 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.882 13.374 -2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.928 11.025 -3.380 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.284 10.427 -3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.127 11.095 -0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.704 11.856 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.776 9.658 -1.418 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.208 8.875 -1.434 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.117 9.973 1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.879 8.368 -0.537 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.506 7.745 0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.911 9.135 2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.396 8.178 2.944 1.00 0.00 H new ATOM 1218 N TYR A 82 -5.271 12.063 -2.222 1.00 0.00 N ATOM 1219 CA TYR A 82 -3.982 12.481 -1.627 1.00 0.00 C ATOM 1220 C TYR A 82 -3.337 11.266 -0.977 1.00 0.00 C ATOM 1221 O TYR A 82 -3.928 10.679 -0.077 1.00 0.00 O ATOM 1222 CB TYR A 82 -4.221 13.606 -0.568 1.00 0.00 C ATOM 1223 CG TYR A 82 -2.946 14.299 -0.045 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -2.154 13.723 0.958 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -2.541 15.539 -0.546 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -1.014 14.346 1.420 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -1.401 16.165 -0.080 1.00 0.00 C ATOM 1228 CZ TYR A 82 -0.643 15.568 0.903 1.00 0.00 C ATOM 1229 OH TYR A 82 0.511 16.180 1.359 1.00 0.00 O ATOM 0 H TYR A 82 -5.636 11.186 -1.850 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.323 12.878 -2.399 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.872 14.362 -1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.756 13.177 0.280 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.443 12.771 1.378 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.131 16.018 -1.313 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.413 13.877 2.185 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.105 17.121 -0.486 1.00 0.00 H new ATOM 0 HH TYR A 82 0.634 17.034 0.895 1.00 0.00 H new ATOM 1239 N VAL A 83 -2.132 10.893 -1.419 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.431 9.698 -0.947 1.00 0.00 C ATOM 1241 C VAL A 83 -0.383 10.075 0.107 1.00 0.00 C ATOM 1242 O VAL A 83 0.416 11.003 -0.098 1.00 0.00 O ATOM 1243 CB VAL A 83 -0.742 8.958 -2.153 1.00 0.00 C ATOM 1244 CG1 VAL A 83 0.084 7.734 -1.699 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -1.797 8.552 -3.195 1.00 0.00 C ATOM 0 H VAL A 83 -1.612 11.418 -2.122 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.159 9.027 -0.492 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.040 9.656 -2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.538 7.259 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.866 8.057 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.569 7.021 -1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.310 8.041 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.525 7.884 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.305 9.443 -3.565 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.419 9.358 1.238 1.00 0.00 N ATOM 1256 CA GLU A 84 0.586 9.449 2.299 1.00 0.00 C ATOM 1257 C GLU A 84 1.244 8.078 2.457 1.00 0.00 C ATOM 1258 O GLU A 84 0.575 7.094 2.751 1.00 0.00 O ATOM 1259 CB GLU A 84 -0.048 9.905 3.633 1.00 0.00 C ATOM 1260 CG GLU A 84 -0.762 11.262 3.565 1.00 0.00 C ATOM 1261 CD GLU A 84 -1.305 11.712 4.927 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -2.408 11.274 5.311 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -0.624 12.492 5.625 1.00 0.00 O ATOM 0 H GLU A 84 -1.161 8.688 1.442 1.00 0.00 H new ATOM 0 HA GLU A 84 1.334 10.194 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.762 9.149 3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.732 9.956 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.069 12.014 3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.585 11.200 2.853 1.00 0.00 H new ATOM 1270 N VAL A 85 2.559 8.031 2.287 1.00 0.00 N ATOM 1271 CA VAL A 85 3.329 6.784 2.291 1.00 0.00 C ATOM 1272 C VAL A 85 4.331 6.828 3.442 1.00 0.00 C ATOM 1273 O VAL A 85 5.148 7.740 3.500 1.00 0.00 O ATOM 1274 CB VAL A 85 4.082 6.541 0.938 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.777 5.162 0.940 1.00 0.00 C ATOM 1276 CG2 VAL A 85 3.137 6.680 -0.275 1.00 0.00 C ATOM 0 H VAL A 85 3.131 8.863 2.141 1.00 0.00 H new ATOM 0 HA VAL A 85 2.631 5.957 2.419 1.00 0.00 H new ATOM 0 HB VAL A 85 4.847 7.312 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.294 5.014 -0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.498 5.119 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.031 4.379 1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.696 6.504 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.332 5.949 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.714 7.685 -0.294 1.00 0.00 H new ATOM 1286 N PHE A 86 4.271 5.839 4.349 1.00 0.00 N ATOM 1287 CA PHE A 86 5.163 5.771 5.523 1.00 0.00 C ATOM 1288 C PHE A 86 5.988 4.474 5.456 1.00 0.00 C ATOM 1289 O PHE A 86 5.484 3.440 4.995 1.00 0.00 O ATOM 1290 CB PHE A 86 4.344 5.830 6.843 1.00 0.00 C ATOM 1291 CG PHE A 86 3.407 7.038 6.948 1.00 0.00 C ATOM 1292 CD1 PHE A 86 3.851 8.244 7.491 1.00 0.00 C ATOM 1293 CD2 PHE A 86 2.085 6.968 6.499 1.00 0.00 C ATOM 1294 CE1 PHE A 86 3.007 9.335 7.579 1.00 0.00 C ATOM 1295 CE2 PHE A 86 1.244 8.061 6.586 1.00 0.00 C ATOM 1296 CZ PHE A 86 1.705 9.244 7.129 1.00 0.00 C ATOM 0 H PHE A 86 3.607 5.067 4.292 1.00 0.00 H new ATOM 0 HA PHE A 86 5.835 6.629 5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.754 4.918 6.932 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.035 5.846 7.686 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.867 8.326 7.847 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.715 6.045 6.077 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.367 10.262 8.001 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.227 7.990 6.230 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.047 10.098 7.202 1.00 0.00 H new ATOM 1306 N LYS A 87 7.267 4.566 5.875 1.00 0.00 N ATOM 1307 CA LYS A 87 8.175 3.408 6.008 1.00 0.00 C ATOM 1308 C LYS A 87 7.568 2.382 6.968 1.00 0.00 C ATOM 1309 O LYS A 87 7.344 2.677 8.148 1.00 0.00 O ATOM 1310 CB LYS A 87 9.576 3.874 6.513 1.00 0.00 C ATOM 1311 CG LYS A 87 10.488 2.746 7.069 1.00 0.00 C ATOM 1312 CD LYS A 87 11.864 3.262 7.559 1.00 0.00 C ATOM 1313 CE LYS A 87 12.807 3.642 6.403 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.246 2.450 5.639 1.00 0.00 N ATOM 0 H LYS A 87 7.702 5.452 6.132 1.00 0.00 H new ATOM 0 HA LYS A 87 8.303 2.941 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.095 4.367 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.433 4.621 7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.978 2.249 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.643 1.997 6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.714 4.131 8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.338 2.494 8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.300 4.337 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.679 4.161 6.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.880 2.745 4.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.751 1.798 6.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.415 1.969 5.239 1.00 0.00 H new ATOM 1328 N SER A 88 7.276 1.191 6.441 1.00 0.00 N ATOM 1329 CA SER A 88 6.640 0.124 7.204 1.00 0.00 C ATOM 1330 C SER A 88 7.583 -1.069 7.365 1.00 0.00 C ATOM 1331 O SER A 88 8.766 -1.016 6.990 1.00 0.00 O ATOM 1332 CB SER A 88 5.334 -0.277 6.490 1.00 0.00 C ATOM 1333 OG SER A 88 4.513 0.853 6.288 1.00 0.00 O ATOM 0 H SER A 88 7.476 0.943 5.472 1.00 0.00 H new ATOM 0 HA SER A 88 6.405 0.476 8.209 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.565 -0.742 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.801 -1.019 7.084 1.00 0.00 H new ATOM 0 HG SER A 88 4.982 1.501 5.722 1.00 0.00 H new ATOM 1339 N ASN A 89 7.039 -2.135 7.947 1.00 0.00 N ATOM 1340 CA ASN A 89 7.750 -3.389 8.186 1.00 0.00 C ATOM 1341 C ASN A 89 6.853 -4.535 7.689 1.00 0.00 C ATOM 1342 O ASN A 89 5.626 -4.392 7.673 1.00 0.00 O ATOM 1343 CB ASN A 89 8.056 -3.519 9.711 1.00 0.00 C ATOM 1344 CG ASN A 89 9.084 -4.597 10.077 1.00 0.00 C ATOM 1345 OD1 ASN A 89 9.297 -5.569 9.349 1.00 0.00 O ATOM 1346 ND2 ASN A 89 9.688 -4.453 11.243 1.00 0.00 N ATOM 0 H ASN A 89 6.072 -2.152 8.272 1.00 0.00 H new ATOM 0 HA ASN A 89 8.700 -3.421 7.653 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.415 -2.557 10.077 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.125 -3.733 10.236 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.352 -5.158 11.564 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.490 -3.637 11.822 1.00 0.00 H new ATOM 1353 N ASN A 90 7.470 -5.652 7.274 1.00 0.00 N ATOM 1354 CA ASN A 90 6.744 -6.898 6.906 1.00 0.00 C ATOM 1355 C ASN A 90 6.022 -7.474 8.148 1.00 0.00 C ATOM 1356 O ASN A 90 4.928 -8.045 8.045 1.00 0.00 O ATOM 1357 CB ASN A 90 7.720 -7.952 6.302 1.00 0.00 C ATOM 1358 CG ASN A 90 8.491 -7.472 5.060 1.00 0.00 C ATOM 1359 OD1 ASN A 90 8.803 -6.290 4.914 1.00 0.00 O ATOM 1360 ND2 ASN A 90 8.817 -8.384 4.155 1.00 0.00 N ATOM 0 H ASN A 90 8.483 -5.727 7.181 1.00 0.00 H new ATOM 0 HA ASN A 90 6.001 -6.656 6.146 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.438 -8.245 7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.153 -8.845 6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.335 -8.111 3.320 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.550 -9.358 4.294 1.00 0.00 H new ATOM 1367 N VAL A 91 6.656 -7.270 9.319 1.00 0.00 N ATOM 1368 CA VAL A 91 6.110 -7.642 10.651 1.00 0.00 C ATOM 1369 C VAL A 91 4.818 -6.849 10.939 1.00 0.00 C ATOM 1370 O VAL A 91 3.785 -7.421 11.314 1.00 0.00 O ATOM 1371 CB VAL A 91 7.174 -7.359 11.787 1.00 0.00 C ATOM 1372 CG1 VAL A 91 6.626 -7.696 13.201 1.00 0.00 C ATOM 1373 CG2 VAL A 91 8.494 -8.124 11.510 1.00 0.00 C ATOM 0 H VAL A 91 7.577 -6.835 9.373 1.00 0.00 H new ATOM 0 HA VAL A 91 5.881 -8.708 10.641 1.00 0.00 H new ATOM 0 HB VAL A 91 7.383 -6.289 11.771 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.392 -7.486 13.948 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.744 -7.088 13.404 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.357 -8.751 13.245 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.210 -7.914 12.304 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.294 -9.195 11.476 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.908 -7.802 10.554 1.00 0.00 H new ATOM 1383 N GLU A 92 4.901 -5.527 10.711 1.00 0.00 N ATOM 1384 CA GLU A 92 3.797 -4.577 10.951 1.00 0.00 C ATOM 1385 C GLU A 92 2.657 -4.798 9.934 1.00 0.00 C ATOM 1386 O GLU A 92 1.484 -4.643 10.267 1.00 0.00 O ATOM 1387 CB GLU A 92 4.326 -3.123 10.853 1.00 0.00 C ATOM 1388 CG GLU A 92 3.255 -2.028 11.064 1.00 0.00 C ATOM 1389 CD GLU A 92 3.780 -0.602 10.838 1.00 0.00 C ATOM 1390 OE1 GLU A 92 4.342 -0.341 9.755 1.00 0.00 O ATOM 1391 OE2 GLU A 92 3.599 0.279 11.711 1.00 0.00 O ATOM 0 H GLU A 92 5.745 -5.082 10.351 1.00 0.00 H new ATOM 0 HA GLU A 92 3.400 -4.748 11.952 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.115 -2.988 11.593 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.781 -2.982 9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.422 -2.211 10.386 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.863 -2.105 12.078 1.00 0.00 H new ATOM 1398 N MET A 93 3.039 -5.166 8.700 1.00 0.00 N ATOM 1399 CA MET A 93 2.100 -5.435 7.595 1.00 0.00 C ATOM 1400 C MET A 93 1.103 -6.532 7.979 1.00 0.00 C ATOM 1401 O MET A 93 -0.113 -6.325 7.930 1.00 0.00 O ATOM 1402 CB MET A 93 2.900 -5.856 6.338 1.00 0.00 C ATOM 1403 CG MET A 93 2.045 -6.290 5.142 1.00 0.00 C ATOM 1404 SD MET A 93 3.040 -6.841 3.751 1.00 0.00 S ATOM 1405 CE MET A 93 3.883 -8.277 4.438 1.00 0.00 C ATOM 0 H MET A 93 4.017 -5.287 8.438 1.00 0.00 H new ATOM 0 HA MET A 93 1.534 -4.528 7.383 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.531 -5.022 6.031 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.565 -6.677 6.607 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.378 -7.095 5.449 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.416 -5.457 4.828 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.862 -9.092 3.714 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.918 -8.018 4.664 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.380 -8.591 5.352 1.00 0.00 H new ATOM 1415 N ASP A 94 1.652 -7.691 8.386 1.00 0.00 N ATOM 1416 CA ASP A 94 0.858 -8.852 8.819 1.00 0.00 C ATOM 1417 C ASP A 94 0.018 -8.506 10.062 1.00 0.00 C ATOM 1418 O ASP A 94 -1.143 -8.914 10.165 1.00 0.00 O ATOM 1419 CB ASP A 94 1.784 -10.063 9.106 1.00 0.00 C ATOM 1420 CG ASP A 94 1.003 -11.351 9.446 1.00 0.00 C ATOM 1421 OD1 ASP A 94 0.658 -12.117 8.520 1.00 0.00 O ATOM 1422 OD2 ASP A 94 0.724 -11.604 10.642 1.00 0.00 O ATOM 0 H ASP A 94 2.659 -7.848 8.423 1.00 0.00 H new ATOM 0 HA ASP A 94 0.176 -9.121 8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.414 -10.246 8.236 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.448 -9.818 9.935 1.00 0.00 H new ATOM 1427 N TRP A 95 0.635 -7.737 10.982 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.002 -7.277 12.234 1.00 0.00 C ATOM 1429 C TRP A 95 -1.296 -6.476 11.957 1.00 0.00 C ATOM 1430 O TRP A 95 -2.318 -6.689 12.620 1.00 0.00 O ATOM 1431 CB TRP A 95 1.020 -6.439 13.060 1.00 0.00 C ATOM 1432 CG TRP A 95 0.476 -5.868 14.356 1.00 0.00 C ATOM 1433 CD1 TRP A 95 0.081 -6.567 15.461 1.00 0.00 C ATOM 1434 CD2 TRP A 95 0.261 -4.480 14.669 1.00 0.00 C ATOM 1435 NE1 TRP A 95 -0.361 -5.704 16.432 1.00 0.00 N ATOM 1436 CE2 TRP A 95 -0.266 -4.423 15.967 1.00 0.00 C ATOM 1437 CE3 TRP A 95 0.463 -3.288 13.971 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 -0.591 -3.220 16.586 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 0.137 -2.090 14.583 1.00 0.00 C ATOM 1440 CH2 TRP A 95 -0.387 -2.065 15.882 1.00 0.00 C ATOM 0 H TRP A 95 1.597 -7.415 10.877 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.296 -8.150 12.816 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.881 -7.066 13.289 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.380 -5.618 12.440 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.112 -7.642 15.557 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -0.705 -5.975 17.353 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.867 -3.300 12.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.991 -3.199 17.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.289 -1.162 14.052 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -0.634 -1.117 16.336 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.244 -5.588 10.944 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.373 -4.706 10.601 1.00 0.00 C ATOM 1453 C VAL A 96 -3.427 -5.445 9.747 1.00 0.00 C ATOM 1454 O VAL A 96 -4.630 -5.296 9.967 1.00 0.00 O ATOM 1455 CB VAL A 96 -1.895 -3.388 9.893 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.095 -2.482 9.516 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -0.907 -2.606 10.792 1.00 0.00 C ATOM 0 H VAL A 96 -0.426 -5.464 10.347 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.846 -4.416 11.539 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.383 -3.679 8.976 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.730 -1.578 9.028 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.757 -3.019 8.837 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.643 -2.211 10.418 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.590 -1.697 10.280 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.398 -2.342 11.729 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.036 -3.227 11.001 1.00 0.00 H new ATOM 1467 N LEU A 97 -2.984 -6.274 8.795 1.00 0.00 N ATOM 1468 CA LEU A 97 -3.907 -7.052 7.930 1.00 0.00 C ATOM 1469 C LEU A 97 -4.634 -8.165 8.731 1.00 0.00 C ATOM 1470 O LEU A 97 -5.654 -8.692 8.284 1.00 0.00 O ATOM 1471 CB LEU A 97 -3.140 -7.631 6.708 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.577 -6.570 5.700 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.782 -7.240 4.566 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -3.704 -5.677 5.130 1.00 0.00 C ATOM 0 H LEU A 97 -1.996 -6.430 8.597 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.678 -6.377 7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.310 -8.234 7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.807 -8.302 6.167 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.892 -5.929 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.406 -6.477 3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.944 -7.795 4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.432 -7.924 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.278 -4.953 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.431 -6.298 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.198 -5.149 5.946 1.00 0.00 H new ATOM 1486 N LYS A 98 -4.084 -8.492 9.914 1.00 0.00 N ATOM 1487 CA LYS A 98 -4.663 -9.476 10.851 1.00 0.00 C ATOM 1488 C LYS A 98 -5.988 -8.971 11.494 1.00 0.00 C ATOM 1489 O LYS A 98 -6.957 -9.737 11.611 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.633 -9.798 11.964 1.00 0.00 C ATOM 1491 CG LYS A 98 -4.078 -10.895 12.948 1.00 0.00 C ATOM 1492 CD LYS A 98 -3.063 -11.150 14.080 1.00 0.00 C ATOM 1493 CE LYS A 98 -3.459 -12.345 14.957 1.00 0.00 C ATOM 1494 NZ LYS A 98 -3.514 -13.605 14.172 1.00 0.00 N ATOM 0 H LYS A 98 -3.216 -8.077 10.252 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.899 -10.375 10.281 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.697 -10.104 11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.426 -8.887 12.525 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.036 -10.614 13.385 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.239 -11.822 12.398 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.078 -11.329 13.649 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.982 -10.258 14.700 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.742 -12.454 15.771 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.431 -12.157 15.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.514 -14.418 14.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.382 -13.619 13.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.685 -13.661 13.547 1.00 0.00 H new ATOM 1508 N HIS A 99 -6.030 -7.664 11.836 1.00 0.00 N ATOM 1509 CA HIS A 99 -7.109 -7.071 12.680 1.00 0.00 C ATOM 1510 C HIS A 99 -6.845 -5.562 12.865 1.00 0.00 C ATOM 1511 O HIS A 99 -6.729 -5.058 13.994 1.00 0.00 O ATOM 1512 CB HIS A 99 -7.192 -7.823 14.058 1.00 0.00 C ATOM 1513 CG HIS A 99 -8.351 -7.438 14.955 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -9.628 -7.932 14.797 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -8.418 -6.597 16.020 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -10.420 -7.412 15.715 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -9.713 -6.603 16.471 1.00 0.00 N ATOM 0 H HIS A 99 -5.325 -6.989 11.541 1.00 0.00 H new ATOM 0 HA HIS A 99 -8.073 -7.188 12.186 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.250 -8.894 13.862 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.264 -7.648 14.602 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -7.600 -6.027 16.436 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.474 -7.617 15.827 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -10.069 -6.068 17.263 1.00 0.00 H new