USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 824 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 66 ASN : amide:sc= -8.06! C(o=-8.3!,f=-3.9!) USER MOD Set 1.2: A 85 SER OG : rot 5:sc= -0.273 USER MOD Single : A 11 THR OG1 : rot 36:sc= 0.356 USER MOD Single : A 13 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.2) USER MOD Single : A 17 CYS SG : rot 8:sc= 0.213 USER MOD Single : A 18 LYS NZ :NH3+ 152:sc= -0.405 (180deg=-1.39!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 26 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.5) USER MOD Single : A 27 TYR OH : rot 8:sc= 0.839 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -150:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.871 K(o=-0.87,f=-0.22) USER MOD Single : A 49 SER OG : rot -109:sc= 0.0469 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc=-0.00759 (180deg=-0.14) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc=-0.00216 X(o=-0.0022,f=-0.0049) USER MOD Single : A 77 GLN : amide:sc=-0.00161 X(o=-0.0016,f=-0.0016) USER MOD Single : A 84 LYS NZ :NH3+ -115:sc= -0.77 (180deg=-2.58!) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 10:sc= 0.776 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -90:sc= 1.56 USER MOD Single : A 99 TYR OH : rot 81:sc= 0.0159 USER MOD Single : A 101 LYS NZ :NH3+ -138:sc= 0.237 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.8!) USER MOD Single : A 110 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.26) USER MOD Single : A 114 GLN : amide:sc= -2.95! C(o=-2.9!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -9.776 -12.096 8.462 1.00 0.00 N ATOM 105 CA THR A 11 -9.764 -10.733 7.945 1.00 0.00 C ATOM 106 C THR A 11 -9.102 -9.777 8.930 1.00 0.00 C ATOM 107 O THR A 11 -9.547 -9.637 10.070 1.00 0.00 O ATOM 108 CB THR A 11 -11.189 -10.234 7.642 1.00 0.00 C ATOM 109 OG1 THR A 11 -12.004 -10.337 8.815 1.00 0.00 O ATOM 110 CG2 THR A 11 -11.815 -11.037 6.512 1.00 0.00 C ATOM 0 HA THR A 11 -9.189 -10.752 7.019 1.00 0.00 H new ATOM 0 HB THR A 11 -11.127 -9.190 7.334 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.462 -10.142 9.608 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.821 -10.666 6.316 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.208 -10.933 5.612 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.865 -12.088 6.797 1.00 0.00 H new ATOM 118 N PHE A 12 -8.036 -9.119 8.485 1.00 0.00 N ATOM 119 CA PHE A 12 -7.312 -8.176 9.328 1.00 0.00 C ATOM 120 C PHE A 12 -7.763 -6.744 9.053 1.00 0.00 C ATOM 121 O PHE A 12 -8.281 -6.440 7.980 1.00 0.00 O ATOM 122 CB PHE A 12 -5.806 -8.302 9.094 1.00 0.00 C ATOM 123 CG PHE A 12 -5.293 -9.707 9.232 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.004 -10.234 10.480 1.00 0.00 C ATOM 125 CD2 PHE A 12 -5.101 -10.501 8.113 1.00 0.00 C ATOM 126 CE1 PHE A 12 -4.533 -11.527 10.611 1.00 0.00 C ATOM 127 CE2 PHE A 12 -4.630 -11.795 8.237 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.345 -12.308 9.487 1.00 0.00 C ATOM 0 H PHE A 12 -7.655 -9.222 7.545 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.532 -8.414 10.369 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.570 -7.934 8.096 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.281 -7.661 9.803 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.148 -9.627 11.362 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.322 -10.105 7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.312 -11.926 11.590 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.485 -12.404 7.357 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.976 -13.318 9.586 1.00 0.00 H new ATOM 138 N ASN A 13 -7.561 -5.868 10.033 1.00 0.00 N ATOM 139 CA ASN A 13 -7.947 -4.468 9.898 1.00 0.00 C ATOM 140 C ASN A 13 -6.728 -3.591 9.631 1.00 0.00 C ATOM 141 O ASN A 13 -6.029 -3.161 10.548 1.00 0.00 O ATOM 142 CB ASN A 13 -8.665 -3.992 11.162 1.00 0.00 C ATOM 143 CG ASN A 13 -9.609 -5.039 11.721 1.00 0.00 C ATOM 144 OD1 ASN A 13 -10.132 -5.876 10.984 1.00 0.00 O ATOM 145 ND2 ASN A 13 -9.830 -4.998 13.029 1.00 0.00 N ATOM 0 H ASN A 13 -7.133 -6.103 10.928 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.625 -4.384 9.049 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.926 -3.732 11.920 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.225 -3.084 10.938 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.455 -5.678 13.462 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.375 -4.287 13.601 1.00 0.00 H new ATOM 152 N PRO A 14 -6.466 -3.318 8.344 1.00 0.00 N ATOM 153 CA PRO A 14 -5.331 -2.488 7.926 1.00 0.00 C ATOM 154 C PRO A 14 -5.516 -1.022 8.301 1.00 0.00 C ATOM 155 O PRO A 14 -6.511 -0.652 8.924 1.00 0.00 O ATOM 156 CB PRO A 14 -5.314 -2.653 6.404 1.00 0.00 C ATOM 157 CG PRO A 14 -6.718 -2.998 6.044 1.00 0.00 C ATOM 158 CD PRO A 14 -7.257 -3.797 7.198 1.00 0.00 C ATOM 0 HA PRO A 14 -4.403 -2.790 8.412 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.993 -1.736 5.910 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.623 -3.439 6.099 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.311 -2.098 5.881 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.753 -3.575 5.120 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.323 -3.622 7.344 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.128 -4.868 7.040 1.00 0.00 H new ATOM 166 N ARG A 15 -4.551 -0.192 7.918 1.00 0.00 N ATOM 167 CA ARG A 15 -4.608 1.234 8.216 1.00 0.00 C ATOM 168 C ARG A 15 -4.546 2.060 6.934 1.00 0.00 C ATOM 169 O ARG A 15 -3.676 1.849 6.090 1.00 0.00 O ATOM 170 CB ARG A 15 -3.458 1.629 9.145 1.00 0.00 C ATOM 171 CG ARG A 15 -3.442 3.106 9.500 1.00 0.00 C ATOM 172 CD ARG A 15 -2.069 3.549 9.980 1.00 0.00 C ATOM 173 NE ARG A 15 -1.847 3.219 11.385 1.00 0.00 N ATOM 174 CZ ARG A 15 -2.485 3.812 12.389 1.00 0.00 C ATOM 175 NH1 ARG A 15 -3.379 4.759 12.143 1.00 0.00 N ATOM 176 NH2 ARG A 15 -2.229 3.456 13.641 1.00 0.00 N ATOM 0 H ARG A 15 -3.721 -0.482 7.401 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.556 1.438 8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.526 1.044 10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.512 1.368 8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.731 3.694 8.629 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.181 3.303 10.277 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.301 3.073 9.370 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.966 4.625 9.840 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.165 2.494 11.608 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.579 5.034 11.181 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.867 5.212 12.915 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.542 2.727 13.834 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.719 3.911 14.411 1.00 0.00 H new ATOM 190 N GLU A 16 -5.477 2.999 6.796 1.00 0.00 N ATOM 191 CA GLU A 16 -5.528 3.855 5.616 1.00 0.00 C ATOM 192 C GLU A 16 -4.728 5.135 5.838 1.00 0.00 C ATOM 193 O GLU A 16 -4.568 5.591 6.970 1.00 0.00 O ATOM 194 CB GLU A 16 -6.979 4.200 5.272 1.00 0.00 C ATOM 195 CG GLU A 16 -7.114 5.202 4.139 1.00 0.00 C ATOM 196 CD GLU A 16 -8.559 5.527 3.816 1.00 0.00 C ATOM 197 OE1 GLU A 16 -9.154 6.359 4.533 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.095 4.950 2.847 1.00 0.00 O ATOM 0 H GLU A 16 -6.205 3.186 7.485 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.084 3.310 4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.507 3.285 5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.469 4.600 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.590 6.120 4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.627 4.805 3.248 1.00 0.00 H new ATOM 205 N CYS A 17 -4.229 5.709 4.749 1.00 0.00 N ATOM 206 CA CYS A 17 -3.444 6.936 4.823 1.00 0.00 C ATOM 207 C CYS A 17 -3.736 7.841 3.631 1.00 0.00 C ATOM 208 O CYS A 17 -3.636 7.420 2.478 1.00 0.00 O ATOM 209 CB CYS A 17 -1.951 6.609 4.877 1.00 0.00 C ATOM 210 SG CYS A 17 -1.421 5.831 6.420 1.00 0.00 S ATOM 0 H CYS A 17 -4.354 5.345 3.805 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.726 7.464 5.734 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.705 5.948 4.046 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.383 7.528 4.732 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.464 5.534 7.137 1.00 0.00 H new ATOM 216 N LYS A 18 -4.100 9.087 3.915 1.00 0.00 N ATOM 217 CA LYS A 18 -4.408 10.053 2.867 1.00 0.00 C ATOM 218 C LYS A 18 -3.310 11.106 2.759 1.00 0.00 C ATOM 219 O LYS A 18 -3.243 12.033 3.567 1.00 0.00 O ATOM 220 CB LYS A 18 -5.752 10.729 3.147 1.00 0.00 C ATOM 221 CG LYS A 18 -6.950 9.916 2.686 1.00 0.00 C ATOM 222 CD LYS A 18 -8.170 10.181 3.552 1.00 0.00 C ATOM 223 CE LYS A 18 -8.178 9.296 4.789 1.00 0.00 C ATOM 224 NZ LYS A 18 -7.393 9.895 5.904 1.00 0.00 N ATOM 0 H LYS A 18 -4.189 9.452 4.863 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.468 9.517 1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.840 10.915 4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.771 11.700 2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.179 10.160 1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.704 8.855 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.183 11.229 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.075 10.004 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.206 9.135 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.766 8.318 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.776 9.567 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.398 9.605 5.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.457 10.932 5.855 1.00 0.00 H new ATOM 238 N LEU A 19 -2.453 10.959 1.755 1.00 0.00 N ATOM 239 CA LEU A 19 -1.358 11.899 1.540 1.00 0.00 C ATOM 240 C LEU A 19 -1.802 13.057 0.652 1.00 0.00 C ATOM 241 O LEU A 19 -2.555 12.868 -0.303 1.00 0.00 O ATOM 242 CB LEU A 19 -0.163 11.185 0.906 1.00 0.00 C ATOM 243 CG LEU A 19 0.850 10.580 1.879 1.00 0.00 C ATOM 244 CD1 LEU A 19 0.362 9.234 2.390 1.00 0.00 C ATOM 245 CD2 LEU A 19 2.210 10.437 1.211 1.00 0.00 C ATOM 0 H LEU A 19 -2.495 10.198 1.077 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.061 12.300 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.540 10.389 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.359 11.894 0.263 1.00 0.00 H new ATOM 0 HG LEU A 19 0.953 11.253 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.096 8.819 3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.589 9.364 2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.229 8.552 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.919 10.005 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.122 9.786 0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.565 11.418 0.895 1.00 0.00 H new ATOM 257 N SER A 20 -1.328 14.257 0.973 1.00 0.00 N ATOM 258 CA SER A 20 -1.677 15.447 0.205 1.00 0.00 C ATOM 259 C SER A 20 -0.460 16.348 0.017 1.00 0.00 C ATOM 260 O SER A 20 0.146 16.803 0.988 1.00 0.00 O ATOM 261 CB SER A 20 -2.796 16.221 0.904 1.00 0.00 C ATOM 262 OG SER A 20 -3.001 17.483 0.295 1.00 0.00 O ATOM 0 H SER A 20 -0.702 14.431 1.759 1.00 0.00 H new ATOM 0 HA SER A 20 -2.025 15.127 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.719 15.643 0.869 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.545 16.358 1.956 1.00 0.00 H new ATOM 0 HG SER A 20 -3.722 17.957 0.759 1.00 0.00 H new ATOM 268 N LYS A 21 -0.108 16.603 -1.238 1.00 0.00 N ATOM 269 CA LYS A 21 1.034 17.451 -1.557 1.00 0.00 C ATOM 270 C LYS A 21 0.606 18.646 -2.402 1.00 0.00 C ATOM 271 O LYS A 21 -0.445 18.621 -3.040 1.00 0.00 O ATOM 272 CB LYS A 21 2.103 16.644 -2.299 1.00 0.00 C ATOM 273 CG LYS A 21 1.668 16.184 -3.679 1.00 0.00 C ATOM 274 CD LYS A 21 2.765 15.398 -4.377 1.00 0.00 C ATOM 275 CE LYS A 21 2.487 15.252 -5.865 1.00 0.00 C ATOM 276 NZ LYS A 21 3.728 14.963 -6.635 1.00 0.00 N ATOM 0 H LYS A 21 -0.598 16.234 -2.053 1.00 0.00 H new ATOM 0 HA LYS A 21 1.452 17.822 -0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.003 17.251 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.368 15.772 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.775 15.565 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.399 17.050 -4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.722 15.900 -4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.851 14.411 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.766 14.449 -6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.031 16.168 -6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.496 14.871 -7.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.406 15.741 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.149 14.076 -6.294 1.00 0.00 H new ATOM 290 N GLN A 22 1.429 19.690 -2.401 1.00 0.00 N ATOM 291 CA GLN A 22 1.134 20.894 -3.169 1.00 0.00 C ATOM 292 C GLN A 22 1.643 20.765 -4.601 1.00 0.00 C ATOM 293 O GLN A 22 2.689 20.165 -4.845 1.00 0.00 O ATOM 294 CB GLN A 22 1.764 22.118 -2.500 1.00 0.00 C ATOM 295 CG GLN A 22 1.320 22.320 -1.060 1.00 0.00 C ATOM 296 CD GLN A 22 1.692 23.687 -0.521 1.00 0.00 C ATOM 297 OE1 GLN A 22 2.704 23.843 0.164 1.00 0.00 O ATOM 298 NE2 GLN A 22 0.874 24.687 -0.827 1.00 0.00 N ATOM 0 H GLN A 22 2.304 19.726 -1.878 1.00 0.00 H new ATOM 0 HA GLN A 22 0.052 21.020 -3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.849 22.018 -2.526 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.512 23.007 -3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.240 22.190 -0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.772 21.551 -0.433 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.047 24.513 -1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.073 25.630 -0.492 1.00 0.00 H new ATOM 307 N GLU A 23 0.895 21.332 -5.543 1.00 0.00 N ATOM 308 CA GLU A 23 1.271 21.278 -6.950 1.00 0.00 C ATOM 309 C GLU A 23 2.741 21.641 -7.135 1.00 0.00 C ATOM 310 O GLU A 23 3.109 22.815 -7.116 1.00 0.00 O ATOM 311 CB GLU A 23 0.393 22.224 -7.772 1.00 0.00 C ATOM 312 CG GLU A 23 0.189 21.772 -9.208 1.00 0.00 C ATOM 313 CD GLU A 23 1.267 22.288 -10.141 1.00 0.00 C ATOM 314 OE1 GLU A 23 2.454 22.244 -9.757 1.00 0.00 O ATOM 315 OE2 GLU A 23 0.923 22.737 -11.255 1.00 0.00 O ATOM 0 H GLU A 23 0.026 21.833 -5.357 1.00 0.00 H new ATOM 0 HA GLU A 23 1.120 20.257 -7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.579 22.317 -7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.844 23.216 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.174 20.683 -9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.784 22.116 -9.558 1.00 0.00 H new ATOM 322 N GLY A 24 3.579 20.624 -7.314 1.00 0.00 N ATOM 323 CA GLY A 24 4.999 20.856 -7.499 1.00 0.00 C ATOM 324 C GLY A 24 5.836 20.235 -6.399 1.00 0.00 C ATOM 325 O GLY A 24 6.927 19.725 -6.654 1.00 0.00 O ATOM 0 H GLY A 24 3.299 19.643 -7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.308 20.448 -8.461 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.187 21.929 -7.533 1.00 0.00 H new ATOM 329 N GLN A 25 5.326 20.278 -5.173 1.00 0.00 N ATOM 330 CA GLN A 25 6.036 19.716 -4.030 1.00 0.00 C ATOM 331 C GLN A 25 6.065 18.193 -4.102 1.00 0.00 C ATOM 332 O GLN A 25 5.321 17.584 -4.869 1.00 0.00 O ATOM 333 CB GLN A 25 5.378 20.165 -2.724 1.00 0.00 C ATOM 334 CG GLN A 25 6.147 19.748 -1.481 1.00 0.00 C ATOM 335 CD GLN A 25 5.626 20.411 -0.221 1.00 0.00 C ATOM 336 OE1 GLN A 25 5.527 21.636 -0.146 1.00 0.00 O ATOM 337 NE2 GLN A 25 5.287 19.603 0.777 1.00 0.00 N ATOM 0 H GLN A 25 4.424 20.696 -4.945 1.00 0.00 H new ATOM 0 HA GLN A 25 7.063 20.082 -4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.277 21.250 -2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.371 19.752 -2.674 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.088 18.665 -1.368 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.200 19.998 -1.609 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.385 18.593 0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.928 19.992 1.649 1.00 0.00 H new ATOM 346 N ASN A 26 6.930 17.584 -3.297 1.00 0.00 N ATOM 347 CA ASN A 26 7.056 16.132 -3.270 1.00 0.00 C ATOM 348 C ASN A 26 6.269 15.538 -2.105 1.00 0.00 C ATOM 349 O ASN A 26 5.773 16.265 -1.244 1.00 0.00 O ATOM 350 CB ASN A 26 8.529 15.729 -3.163 1.00 0.00 C ATOM 351 CG ASN A 26 9.374 16.329 -4.270 1.00 0.00 C ATOM 352 OD1 ASN A 26 9.462 17.549 -4.407 1.00 0.00 O ATOM 353 ND2 ASN A 26 10.001 15.471 -5.066 1.00 0.00 N ATOM 0 H ASN A 26 7.554 18.074 -2.655 1.00 0.00 H new ATOM 0 HA ASN A 26 6.645 15.740 -4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.921 16.048 -2.197 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.609 14.642 -3.197 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.585 15.816 -5.828 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.899 14.467 -4.915 1.00 0.00 H new ATOM 360 N TYR A 27 6.160 14.215 -2.086 1.00 0.00 N ATOM 361 CA TYR A 27 5.432 13.523 -1.028 1.00 0.00 C ATOM 362 C TYR A 27 6.371 13.118 0.104 1.00 0.00 C ATOM 363 O TYR A 27 5.980 13.087 1.270 1.00 0.00 O ATOM 364 CB TYR A 27 4.728 12.287 -1.589 1.00 0.00 C ATOM 365 CG TYR A 27 3.339 12.569 -2.118 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.439 13.334 -1.387 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.929 12.070 -3.348 1.00 0.00 C ATOM 368 CE1 TYR A 27 1.169 13.594 -1.866 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.661 12.326 -3.835 1.00 0.00 C ATOM 370 CZ TYR A 27 0.785 13.087 -3.090 1.00 0.00 C ATOM 371 OH TYR A 27 -0.478 13.345 -3.571 1.00 0.00 O ATOM 0 H TYR A 27 6.566 13.600 -2.791 1.00 0.00 H new ATOM 0 HA TYR A 27 4.684 14.208 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.335 11.866 -2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.663 11.530 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.737 13.732 -0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.612 11.472 -3.933 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.481 14.191 -1.285 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.358 11.932 -4.794 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.921 14.001 -2.993 1.00 0.00 H new ATOM 381 N GLY A 28 7.615 12.807 -0.250 1.00 0.00 N ATOM 382 CA GLY A 28 8.592 12.408 0.746 1.00 0.00 C ATOM 383 C GLY A 28 8.834 10.911 0.753 1.00 0.00 C ATOM 384 O GLY A 28 9.901 10.450 1.160 1.00 0.00 O ATOM 0 H GLY A 28 7.963 12.824 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.533 12.924 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.250 12.722 1.732 1.00 0.00 H new ATOM 388 N PHE A 29 7.842 10.151 0.303 1.00 0.00 N ATOM 389 CA PHE A 29 7.952 8.697 0.261 1.00 0.00 C ATOM 390 C PHE A 29 8.071 8.202 -1.178 1.00 0.00 C ATOM 391 O PHE A 29 7.536 8.813 -2.103 1.00 0.00 O ATOM 392 CB PHE A 29 6.738 8.053 0.935 1.00 0.00 C ATOM 393 CG PHE A 29 5.599 7.791 -0.007 1.00 0.00 C ATOM 394 CD1 PHE A 29 4.692 8.792 -0.314 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.434 6.542 -0.585 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.642 8.554 -1.181 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.386 6.299 -1.453 1.00 0.00 C ATOM 398 CZ PHE A 29 3.488 7.305 -1.751 1.00 0.00 C ATOM 0 H PHE A 29 6.953 10.517 -0.038 1.00 0.00 H new ATOM 0 HA PHE A 29 8.854 8.410 0.801 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.043 7.113 1.394 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.392 8.702 1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.807 9.770 0.129 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.132 5.750 -0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.943 9.344 -1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.269 5.322 -1.898 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.668 7.116 -2.428 1.00 0.00 H new ATOM 408 N PHE A 30 8.778 7.091 -1.358 1.00 0.00 N ATOM 409 CA PHE A 30 8.969 6.513 -2.683 1.00 0.00 C ATOM 410 C PHE A 30 8.692 5.013 -2.668 1.00 0.00 C ATOM 411 O PHE A 30 8.890 4.343 -1.653 1.00 0.00 O ATOM 412 CB PHE A 30 10.394 6.775 -3.175 1.00 0.00 C ATOM 413 CG PHE A 30 10.793 8.222 -3.115 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.324 9.123 -4.056 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.638 8.680 -2.117 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.689 10.455 -4.003 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.006 10.011 -2.058 1.00 0.00 C ATOM 418 CZ PHE A 30 11.532 10.899 -3.004 1.00 0.00 C ATOM 0 H PHE A 30 9.228 6.573 -0.603 1.00 0.00 H new ATOM 0 HA PHE A 30 8.263 6.987 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.090 6.189 -2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.485 6.424 -4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.665 8.781 -4.841 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.013 7.989 -1.377 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.315 11.148 -4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.663 10.356 -1.273 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.820 11.939 -2.962 1.00 0.00 H new ATOM 428 N LEU A 31 8.231 4.491 -3.799 1.00 0.00 N ATOM 429 CA LEU A 31 7.925 3.070 -3.918 1.00 0.00 C ATOM 430 C LEU A 31 9.161 2.280 -4.334 1.00 0.00 C ATOM 431 O LEU A 31 9.771 2.561 -5.366 1.00 0.00 O ATOM 432 CB LEU A 31 6.801 2.853 -4.932 1.00 0.00 C ATOM 433 CG LEU A 31 5.383 3.132 -4.433 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.394 3.097 -5.588 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.988 2.127 -3.360 1.00 0.00 C ATOM 0 H LEU A 31 8.061 5.031 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 31 7.599 2.711 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.992 3.488 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.846 1.821 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 31 5.363 4.130 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.390 3.298 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.666 3.855 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.416 2.113 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.976 2.341 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.026 1.119 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.679 2.200 -2.520 1.00 0.00 H new ATOM 447 N ARG A 32 9.524 1.289 -3.526 1.00 0.00 N ATOM 448 CA ARG A 32 10.687 0.457 -3.811 1.00 0.00 C ATOM 449 C ARG A 32 10.371 -1.017 -3.576 1.00 0.00 C ATOM 450 O ARG A 32 9.826 -1.387 -2.535 1.00 0.00 O ATOM 451 CB ARG A 32 11.870 0.882 -2.940 1.00 0.00 C ATOM 452 CG ARG A 32 12.402 2.267 -3.269 1.00 0.00 C ATOM 453 CD ARG A 32 13.437 2.217 -4.381 1.00 0.00 C ATOM 454 NE ARG A 32 14.274 3.414 -4.405 1.00 0.00 N ATOM 455 CZ ARG A 32 15.372 3.529 -5.143 1.00 0.00 C ATOM 456 NH1 ARG A 32 15.765 2.524 -5.913 1.00 0.00 N ATOM 457 NH2 ARG A 32 16.081 4.650 -5.111 1.00 0.00 N ATOM 0 H ARG A 32 9.029 1.043 -2.669 1.00 0.00 H new ATOM 0 HA ARG A 32 10.951 0.591 -4.860 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.567 0.858 -1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.675 0.156 -3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.577 2.913 -3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.846 2.709 -2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.067 1.337 -4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.932 2.108 -5.341 1.00 0.00 H new ATOM 0 HE ARG A 32 14.000 4.205 -3.823 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.224 1.660 -5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.609 2.615 -6.479 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.783 5.425 -4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.924 4.737 -5.679 1.00 0.00 H new ATOM 471 N ILE A 33 10.717 -1.854 -4.548 1.00 0.00 N ATOM 472 CA ILE A 33 10.471 -3.287 -4.446 1.00 0.00 C ATOM 473 C ILE A 33 11.712 -4.024 -3.954 1.00 0.00 C ATOM 474 O ILE A 33 12.836 -3.555 -4.134 1.00 0.00 O ATOM 475 CB ILE A 33 10.038 -3.881 -5.799 1.00 0.00 C ATOM 476 CG1 ILE A 33 11.143 -3.694 -6.841 1.00 0.00 C ATOM 477 CG2 ILE A 33 8.743 -3.237 -6.271 1.00 0.00 C ATOM 478 CD1 ILE A 33 10.973 -4.566 -8.065 1.00 0.00 C ATOM 0 H ILE A 33 11.169 -1.564 -5.415 1.00 0.00 H new ATOM 0 HA ILE A 33 9.664 -3.418 -3.725 1.00 0.00 H new ATOM 0 HB ILE A 33 9.864 -4.949 -5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.167 -2.649 -7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.106 -3.912 -6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.450 -3.668 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.958 -3.418 -5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.892 -2.163 -6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.792 -4.381 -8.760 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.979 -5.615 -7.768 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.025 -4.332 -8.550 1.00 0.00 H new ATOM 490 N GLU A 34 11.500 -5.180 -3.334 1.00 0.00 N ATOM 491 CA GLU A 34 12.603 -5.982 -2.817 1.00 0.00 C ATOM 492 C GLU A 34 12.553 -7.401 -3.378 1.00 0.00 C ATOM 493 O GLU A 34 11.484 -8.000 -3.488 1.00 0.00 O ATOM 494 CB GLU A 34 12.559 -6.025 -1.288 1.00 0.00 C ATOM 495 CG GLU A 34 13.215 -4.824 -0.627 1.00 0.00 C ATOM 496 CD GLU A 34 13.584 -5.085 0.821 1.00 0.00 C ATOM 497 OE1 GLU A 34 14.682 -5.628 1.065 1.00 0.00 O ATOM 498 OE2 GLU A 34 12.775 -4.745 1.710 1.00 0.00 O ATOM 0 H GLU A 34 10.576 -5.582 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 34 13.536 -5.517 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.520 -6.085 -0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.053 -6.934 -0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.112 -4.552 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.538 -3.971 -0.678 1.00 0.00 H new ATOM 505 N LYS A 35 13.719 -7.931 -3.732 1.00 0.00 N ATOM 506 CA LYS A 35 13.811 -9.279 -4.281 1.00 0.00 C ATOM 507 C LYS A 35 13.179 -10.296 -3.336 1.00 0.00 C ATOM 508 O LYS A 35 13.443 -10.289 -2.134 1.00 0.00 O ATOM 509 CB LYS A 35 15.274 -9.648 -4.538 1.00 0.00 C ATOM 510 CG LYS A 35 15.450 -10.768 -5.549 1.00 0.00 C ATOM 511 CD LYS A 35 15.234 -12.131 -4.913 1.00 0.00 C ATOM 512 CE LYS A 35 16.045 -13.209 -5.615 1.00 0.00 C ATOM 513 NZ LYS A 35 15.554 -14.576 -5.287 1.00 0.00 N ATOM 0 H LYS A 35 14.613 -7.448 -3.649 1.00 0.00 H new ATOM 0 HA LYS A 35 13.266 -9.298 -5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.806 -8.765 -4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.736 -9.944 -3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.746 -10.633 -6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.451 -10.719 -5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.514 -12.091 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.175 -12.388 -4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.997 -13.055 -6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.092 -13.121 -5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.133 -15.282 -5.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.623 -14.733 -4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.562 -14.669 -5.585 1.00 0.00 H new ATOM 527 N ASP A 36 12.343 -11.169 -3.888 1.00 0.00 N ATOM 528 CA ASP A 36 11.675 -12.194 -3.094 1.00 0.00 C ATOM 529 C ASP A 36 10.825 -11.563 -1.996 1.00 0.00 C ATOM 530 O ASP A 36 10.819 -12.028 -0.855 1.00 0.00 O ATOM 531 CB ASP A 36 12.704 -13.144 -2.479 1.00 0.00 C ATOM 532 CG ASP A 36 12.072 -14.417 -1.950 1.00 0.00 C ATOM 533 OD1 ASP A 36 11.214 -14.989 -2.654 1.00 0.00 O ATOM 534 OD2 ASP A 36 12.437 -14.842 -0.834 1.00 0.00 O ATOM 0 H ASP A 36 12.112 -11.187 -4.881 1.00 0.00 H new ATOM 0 HA ASP A 36 11.019 -12.761 -3.755 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.453 -13.398 -3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.224 -12.636 -1.667 1.00 0.00 H new ATOM 539 N THR A 37 10.109 -10.500 -2.346 1.00 0.00 N ATOM 540 CA THR A 37 9.257 -9.803 -1.390 1.00 0.00 C ATOM 541 C THR A 37 7.910 -9.449 -2.010 1.00 0.00 C ATOM 542 O THR A 37 7.843 -8.977 -3.145 1.00 0.00 O ATOM 543 CB THR A 37 9.927 -8.515 -0.876 1.00 0.00 C ATOM 544 OG1 THR A 37 11.288 -8.780 -0.517 1.00 0.00 O ATOM 545 CG2 THR A 37 9.180 -7.960 0.327 1.00 0.00 C ATOM 0 H THR A 37 10.102 -10.102 -3.285 1.00 0.00 H new ATOM 0 HA THR A 37 9.101 -10.482 -0.552 1.00 0.00 H new ATOM 0 HB THR A 37 9.900 -7.774 -1.675 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.559 -8.176 0.205 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.671 -7.051 0.673 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.152 -7.732 0.044 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.180 -8.699 1.128 1.00 0.00 H new ATOM 553 N ASP A 38 6.840 -9.679 -1.258 1.00 0.00 N ATOM 554 CA ASP A 38 5.493 -9.383 -1.733 1.00 0.00 C ATOM 555 C ASP A 38 5.074 -7.972 -1.331 1.00 0.00 C ATOM 556 O ASP A 38 5.543 -7.436 -0.328 1.00 0.00 O ATOM 557 CB ASP A 38 4.497 -10.402 -1.178 1.00 0.00 C ATOM 558 CG ASP A 38 5.060 -11.810 -1.157 1.00 0.00 C ATOM 559 OD1 ASP A 38 5.980 -12.070 -0.354 1.00 0.00 O ATOM 560 OD2 ASP A 38 4.580 -12.651 -1.945 1.00 0.00 O ATOM 0 H ASP A 38 6.879 -10.070 -0.317 1.00 0.00 H new ATOM 0 HA ASP A 38 5.496 -9.446 -2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.211 -10.113 -0.167 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.590 -10.385 -1.782 1.00 0.00 H new ATOM 565 N GLY A 39 4.186 -7.376 -2.121 1.00 0.00 N ATOM 566 CA GLY A 39 3.719 -6.033 -1.832 1.00 0.00 C ATOM 567 C GLY A 39 4.778 -4.981 -2.098 1.00 0.00 C ATOM 568 O GLY A 39 5.896 -5.303 -2.502 1.00 0.00 O ATOM 0 H GLY A 39 3.782 -7.800 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.839 -5.819 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.409 -5.976 -0.789 1.00 0.00 H new ATOM 572 N HIS A 40 4.426 -3.719 -1.872 1.00 0.00 N ATOM 573 CA HIS A 40 5.354 -2.616 -2.091 1.00 0.00 C ATOM 574 C HIS A 40 5.783 -1.995 -0.765 1.00 0.00 C ATOM 575 O HIS A 40 4.958 -1.457 -0.024 1.00 0.00 O ATOM 576 CB HIS A 40 4.714 -1.552 -2.983 1.00 0.00 C ATOM 577 CG HIS A 40 4.887 -1.814 -4.447 1.00 0.00 C ATOM 578 ND1 HIS A 40 6.034 -1.486 -5.140 1.00 0.00 N ATOM 579 CD2 HIS A 40 4.052 -2.377 -5.351 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.895 -1.835 -6.406 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.701 -2.378 -6.561 1.00 0.00 N ATOM 0 H HIS A 40 3.505 -3.435 -1.537 1.00 0.00 H new ATOM 0 HA HIS A 40 6.239 -3.012 -2.589 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.649 -1.492 -2.756 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.146 -0.581 -2.743 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.059 -2.755 -5.157 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.633 -1.699 -7.183 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.323 -2.739 -7.437 1.00 0.00 H new ATOM 590 N LEU A 41 7.076 -2.073 -0.471 1.00 0.00 N ATOM 591 CA LEU A 41 7.614 -1.519 0.767 1.00 0.00 C ATOM 592 C LEU A 41 7.949 -0.040 0.601 1.00 0.00 C ATOM 593 O LEU A 41 8.463 0.377 -0.437 1.00 0.00 O ATOM 594 CB LEU A 41 8.863 -2.292 1.194 1.00 0.00 C ATOM 595 CG LEU A 41 8.627 -3.502 2.098 1.00 0.00 C ATOM 596 CD1 LEU A 41 8.395 -4.753 1.265 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.804 -3.699 3.043 1.00 0.00 C ATOM 0 H LEU A 41 7.771 -2.514 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 41 6.852 -1.615 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.381 -2.630 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.533 -1.604 1.709 1.00 0.00 H new ATOM 0 HG LEU A 41 7.734 -3.317 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.229 -5.604 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.521 -4.610 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.269 -4.942 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.619 -4.565 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.713 -3.862 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.924 -2.811 3.664 1.00 0.00 H new ATOM 609 N ILE A 42 7.655 0.746 1.631 1.00 0.00 N ATOM 610 CA ILE A 42 7.928 2.178 1.601 1.00 0.00 C ATOM 611 C ILE A 42 9.212 2.508 2.353 1.00 0.00 C ATOM 612 O ILE A 42 9.340 2.216 3.542 1.00 0.00 O ATOM 613 CB ILE A 42 6.767 2.985 2.210 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.498 2.807 1.373 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.140 4.457 2.309 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.225 3.093 2.138 1.00 0.00 C ATOM 0 H ILE A 42 7.228 0.416 2.496 1.00 0.00 H new ATOM 0 HA ILE A 42 8.042 2.456 0.553 1.00 0.00 H new ATOM 0 HB ILE A 42 6.572 2.611 3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.548 3.467 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.463 1.786 0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.309 5.015 2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.020 4.568 2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.358 4.845 1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.366 2.947 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.152 2.416 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.238 4.123 2.494 1.00 0.00 H new ATOM 628 N ARG A 43 10.161 3.122 1.652 1.00 0.00 N ATOM 629 CA ARG A 43 11.436 3.493 2.254 1.00 0.00 C ATOM 630 C ARG A 43 11.826 4.916 1.865 1.00 0.00 C ATOM 631 O ARG A 43 11.201 5.528 0.999 1.00 0.00 O ATOM 632 CB ARG A 43 12.531 2.516 1.824 1.00 0.00 C ATOM 633 CG ARG A 43 12.580 1.249 2.662 1.00 0.00 C ATOM 634 CD ARG A 43 11.661 0.175 2.101 1.00 0.00 C ATOM 635 NE ARG A 43 12.110 -0.304 0.797 1.00 0.00 N ATOM 636 CZ ARG A 43 13.067 -1.212 0.637 1.00 0.00 C ATOM 637 NH1 ARG A 43 13.672 -1.735 1.695 1.00 0.00 N ATOM 638 NH2 ARG A 43 13.420 -1.597 -0.582 1.00 0.00 N ATOM 0 H ARG A 43 10.070 3.373 0.667 1.00 0.00 H new ATOM 0 HA ARG A 43 11.325 3.448 3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.375 2.245 0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.497 3.018 1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.603 0.873 2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.290 1.478 3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.614 -0.662 2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.650 0.573 2.012 1.00 0.00 H new ATOM 0 HE ARG A 43 11.665 0.079 -0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.403 -1.440 2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.406 -2.432 1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.957 -1.196 -1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.155 -2.294 -0.704 1.00 0.00 H new ATOM 652 N VAL A 44 12.865 5.437 2.511 1.00 0.00 N ATOM 653 CA VAL A 44 13.340 6.787 2.232 1.00 0.00 C ATOM 654 C VAL A 44 12.267 7.823 2.549 1.00 0.00 C ATOM 655 O VAL A 44 12.006 8.724 1.751 1.00 0.00 O ATOM 656 CB VAL A 44 13.767 6.939 0.760 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.353 8.321 0.514 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.761 5.853 0.379 1.00 0.00 C ATOM 0 H VAL A 44 13.394 4.944 3.231 1.00 0.00 H new ATOM 0 HA VAL A 44 14.206 6.957 2.872 1.00 0.00 H new ATOM 0 HB VAL A 44 12.884 6.828 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.649 8.410 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.605 9.080 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.225 8.465 1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 44 15.052 5.976 -0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.644 5.929 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.300 4.874 0.515 1.00 0.00 H new ATOM 668 N ILE A 45 11.649 7.689 3.717 1.00 0.00 N ATOM 669 CA ILE A 45 10.606 8.615 4.140 1.00 0.00 C ATOM 670 C ILE A 45 11.204 9.924 4.643 1.00 0.00 C ATOM 671 O ILE A 45 11.385 10.113 5.846 1.00 0.00 O ATOM 672 CB ILE A 45 9.728 8.005 5.248 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.172 6.651 4.802 1.00 0.00 C ATOM 674 CG2 ILE A 45 8.596 8.955 5.609 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.749 5.763 5.951 1.00 0.00 C ATOM 0 H ILE A 45 11.852 6.948 4.388 1.00 0.00 H new ATOM 0 HA ILE A 45 9.987 8.814 3.265 1.00 0.00 H new ATOM 0 HB ILE A 45 10.343 7.849 6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.316 6.817 4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.929 6.133 4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.984 8.510 6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.012 9.898 5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.980 9.138 4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.365 4.821 5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.607 5.567 6.594 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.970 6.261 6.528 1.00 0.00 H new ATOM 687 N GLU A 46 11.507 10.826 3.715 1.00 0.00 N ATOM 688 CA GLU A 46 12.084 12.118 4.065 1.00 0.00 C ATOM 689 C GLU A 46 11.394 12.707 5.293 1.00 0.00 C ATOM 690 O GLU A 46 10.233 12.406 5.568 1.00 0.00 O ATOM 691 CB GLU A 46 11.969 13.089 2.888 1.00 0.00 C ATOM 692 CG GLU A 46 12.677 14.413 3.120 1.00 0.00 C ATOM 693 CD GLU A 46 12.329 15.452 2.072 1.00 0.00 C ATOM 694 OE1 GLU A 46 11.238 16.051 2.169 1.00 0.00 O ATOM 695 OE2 GLU A 46 13.149 15.666 1.155 1.00 0.00 O ATOM 0 H GLU A 46 11.362 10.686 2.715 1.00 0.00 H new ATOM 0 HA GLU A 46 13.138 11.965 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.382 12.617 1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.915 13.281 2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.412 14.794 4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.755 14.249 3.120 1.00 0.00 H new ATOM 702 N GLU A 47 12.118 13.547 6.025 1.00 0.00 N ATOM 703 CA GLU A 47 11.576 14.177 7.224 1.00 0.00 C ATOM 704 C GLU A 47 10.732 15.396 6.864 1.00 0.00 C ATOM 705 O GLU A 47 10.899 15.987 5.798 1.00 0.00 O ATOM 706 CB GLU A 47 12.708 14.587 8.168 1.00 0.00 C ATOM 707 CG GLU A 47 13.270 13.434 8.982 1.00 0.00 C ATOM 708 CD GLU A 47 14.227 13.895 10.064 1.00 0.00 C ATOM 709 OE1 GLU A 47 13.796 14.660 10.952 1.00 0.00 O ATOM 710 OE2 GLU A 47 15.408 13.491 10.021 1.00 0.00 O ATOM 0 H GLU A 47 13.080 13.807 5.810 1.00 0.00 H new ATOM 0 HA GLU A 47 10.938 13.451 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.512 15.034 7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.342 15.356 8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.448 12.883 9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.786 12.742 8.316 1.00 0.00 H new ATOM 717 N GLY A 48 9.824 15.766 7.762 1.00 0.00 N ATOM 718 CA GLY A 48 8.967 16.912 7.521 1.00 0.00 C ATOM 719 C GLY A 48 8.173 16.782 6.236 1.00 0.00 C ATOM 720 O GLY A 48 7.805 17.784 5.622 1.00 0.00 O ATOM 0 H GLY A 48 9.667 15.293 8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.280 17.030 8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.576 17.815 7.478 1.00 0.00 H new ATOM 724 N SER A 49 7.910 15.545 5.827 1.00 0.00 N ATOM 725 CA SER A 49 7.159 15.288 4.603 1.00 0.00 C ATOM 726 C SER A 49 5.711 14.928 4.920 1.00 0.00 C ATOM 727 O SER A 49 5.387 14.445 6.005 1.00 0.00 O ATOM 728 CB SER A 49 7.815 14.159 3.806 1.00 0.00 C ATOM 729 OG SER A 49 7.289 12.897 4.182 1.00 0.00 O ATOM 0 H SER A 49 8.206 14.705 6.325 1.00 0.00 H new ATOM 0 HA SER A 49 7.165 16.198 4.003 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.654 14.321 2.740 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.892 14.171 3.971 1.00 0.00 H new ATOM 0 HG SER A 49 7.968 12.395 4.680 1.00 0.00 H new ATOM 735 N PRO A 50 4.817 15.169 3.949 1.00 0.00 N ATOM 736 CA PRO A 50 3.388 14.878 4.099 1.00 0.00 C ATOM 737 C PRO A 50 3.101 13.380 4.127 1.00 0.00 C ATOM 738 O PRO A 50 1.973 12.960 4.380 1.00 0.00 O ATOM 739 CB PRO A 50 2.763 15.519 2.858 1.00 0.00 C ATOM 740 CG PRO A 50 3.861 15.545 1.851 1.00 0.00 C ATOM 741 CD PRO A 50 5.132 15.743 2.630 1.00 0.00 C ATOM 0 HA PRO A 50 2.991 15.261 5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.911 14.941 2.500 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.399 16.524 3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.892 14.615 1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.713 16.352 1.133 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.974 15.234 2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.398 16.797 2.704 1.00 0.00 H new ATOM 749 N ALA A 51 4.130 12.581 3.867 1.00 0.00 N ATOM 750 CA ALA A 51 3.989 11.130 3.865 1.00 0.00 C ATOM 751 C ALA A 51 4.128 10.563 5.274 1.00 0.00 C ATOM 752 O ALA A 51 3.494 9.565 5.616 1.00 0.00 O ATOM 753 CB ALA A 51 5.017 10.500 2.937 1.00 0.00 C ATOM 0 H ALA A 51 5.071 12.914 3.655 1.00 0.00 H new ATOM 0 HA ALA A 51 2.991 10.888 3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.899 9.416 2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.869 10.873 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.020 10.759 3.276 1.00 0.00 H new ATOM 759 N GLU A 52 4.962 11.205 6.086 1.00 0.00 N ATOM 760 CA GLU A 52 5.184 10.762 7.457 1.00 0.00 C ATOM 761 C GLU A 52 4.074 11.261 8.377 1.00 0.00 C ATOM 762 O GLU A 52 3.540 10.507 9.190 1.00 0.00 O ATOM 763 CB GLU A 52 6.541 11.257 7.962 1.00 0.00 C ATOM 764 CG GLU A 52 6.836 10.862 9.400 1.00 0.00 C ATOM 765 CD GLU A 52 6.957 9.361 9.579 1.00 0.00 C ATOM 766 OE1 GLU A 52 7.875 8.764 8.978 1.00 0.00 O ATOM 767 OE2 GLU A 52 6.134 8.783 10.319 1.00 0.00 O ATOM 0 H GLU A 52 5.494 12.033 5.818 1.00 0.00 H new ATOM 0 HA GLU A 52 5.176 9.672 7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.326 10.861 7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.577 12.343 7.878 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.762 11.338 9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.043 11.239 10.046 1.00 0.00 H new ATOM 774 N LYS A 53 3.731 12.538 8.243 1.00 0.00 N ATOM 775 CA LYS A 53 2.685 13.140 9.060 1.00 0.00 C ATOM 776 C LYS A 53 1.518 12.175 9.248 1.00 0.00 C ATOM 777 O LYS A 53 0.812 12.229 10.254 1.00 0.00 O ATOM 778 CB LYS A 53 2.188 14.436 8.415 1.00 0.00 C ATOM 779 CG LYS A 53 1.335 14.213 7.179 1.00 0.00 C ATOM 780 CD LYS A 53 0.583 15.474 6.786 1.00 0.00 C ATOM 781 CE LYS A 53 -0.255 15.256 5.535 1.00 0.00 C ATOM 782 NZ LYS A 53 -1.337 14.258 5.758 1.00 0.00 N ATOM 0 H LYS A 53 4.163 13.176 7.575 1.00 0.00 H new ATOM 0 HA LYS A 53 3.109 13.366 10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.610 14.998 9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.047 15.051 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.968 13.893 6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.624 13.408 7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.062 15.785 7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.293 16.283 6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.694 16.204 5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.388 14.919 4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.995 14.273 4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.921 13.309 5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.852 14.494 6.630 1.00 0.00 H new ATOM 796 N ALA A 54 1.324 11.292 8.273 1.00 0.00 N ATOM 797 CA ALA A 54 0.246 10.312 8.334 1.00 0.00 C ATOM 798 C ALA A 54 0.661 9.089 9.143 1.00 0.00 C ATOM 799 O ALA A 54 0.204 7.976 8.884 1.00 0.00 O ATOM 800 CB ALA A 54 -0.173 9.902 6.930 1.00 0.00 C ATOM 0 H ALA A 54 1.899 11.235 7.432 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.605 10.774 8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.978 9.170 6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.519 10.779 6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.678 9.463 6.410 1.00 0.00 H new ATOM 806 N GLY A 55 1.531 9.302 10.126 1.00 0.00 N ATOM 807 CA GLY A 55 1.993 8.206 10.958 1.00 0.00 C ATOM 808 C GLY A 55 2.604 7.080 10.147 1.00 0.00 C ATOM 809 O GLY A 55 2.682 5.942 10.612 1.00 0.00 O ATOM 0 H GLY A 55 1.924 10.214 10.361 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.730 8.579 11.669 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.157 7.818 11.540 1.00 0.00 H new ATOM 813 N LEU A 56 3.036 7.396 8.931 1.00 0.00 N ATOM 814 CA LEU A 56 3.641 6.401 8.052 1.00 0.00 C ATOM 815 C LEU A 56 5.106 6.175 8.413 1.00 0.00 C ATOM 816 O LEU A 56 5.935 7.076 8.281 1.00 0.00 O ATOM 817 CB LEU A 56 3.526 6.844 6.593 1.00 0.00 C ATOM 818 CG LEU A 56 3.599 5.732 5.546 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.366 4.845 5.624 1.00 0.00 C ATOM 820 CD2 LEU A 56 3.747 6.322 4.151 1.00 0.00 C ATOM 0 H LEU A 56 2.979 8.333 8.531 1.00 0.00 H new ATOM 0 HA LEU A 56 3.104 5.461 8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.581 7.372 6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.321 7.561 6.388 1.00 0.00 H new ATOM 0 HG LEU A 56 4.476 5.119 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.435 4.059 4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.304 4.395 6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.474 5.445 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.797 5.516 3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.889 6.958 3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.660 6.915 4.102 1.00 0.00 H new ATOM 832 N LEU A 57 5.417 4.966 8.868 1.00 0.00 N ATOM 833 CA LEU A 57 6.783 4.620 9.246 1.00 0.00 C ATOM 834 C LEU A 57 7.422 3.707 8.204 1.00 0.00 C ATOM 835 O LEU A 57 6.762 3.265 7.263 1.00 0.00 O ATOM 836 CB LEU A 57 6.797 3.938 10.615 1.00 0.00 C ATOM 837 CG LEU A 57 6.811 4.869 11.828 1.00 0.00 C ATOM 838 CD1 LEU A 57 7.988 5.829 11.750 1.00 0.00 C ATOM 839 CD2 LEU A 57 5.500 5.635 11.928 1.00 0.00 C ATOM 0 H LEU A 57 4.743 4.210 8.984 1.00 0.00 H new ATOM 0 HA LEU A 57 7.363 5.541 9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.921 3.294 10.687 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.673 3.292 10.668 1.00 0.00 H new ATOM 0 HG LEU A 57 6.923 4.262 12.727 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.982 6.484 12.621 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.919 5.262 11.728 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.908 6.430 10.844 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.528 6.292 12.797 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.357 6.231 11.027 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.674 4.931 12.032 1.00 0.00 H new ATOM 851 N ASP A 58 8.709 3.427 8.379 1.00 0.00 N ATOM 852 CA ASP A 58 9.436 2.564 7.456 1.00 0.00 C ATOM 853 C ASP A 58 9.074 1.099 7.682 1.00 0.00 C ATOM 854 O ASP A 58 9.169 0.592 8.799 1.00 0.00 O ATOM 855 CB ASP A 58 10.944 2.761 7.620 1.00 0.00 C ATOM 856 CG ASP A 58 11.749 1.740 6.842 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.384 1.454 5.682 1.00 0.00 O ATOM 858 OD2 ASP A 58 12.746 1.227 7.392 1.00 0.00 O ATOM 0 H ASP A 58 9.270 3.785 9.152 1.00 0.00 H new ATOM 0 HA ASP A 58 9.150 2.838 6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.215 3.763 7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.203 2.695 8.677 1.00 0.00 H new ATOM 863 N GLY A 59 8.659 0.425 6.614 1.00 0.00 N ATOM 864 CA GLY A 59 8.288 -0.974 6.718 1.00 0.00 C ATOM 865 C GLY A 59 6.808 -1.200 6.485 1.00 0.00 C ATOM 866 O GLY A 59 6.283 -2.275 6.778 1.00 0.00 O ATOM 0 H GLY A 59 8.573 0.823 5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.859 -1.553 5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.558 -1.346 7.706 1.00 0.00 H new ATOM 870 N ASP A 60 6.131 -0.185 5.958 1.00 0.00 N ATOM 871 CA ASP A 60 4.702 -0.278 5.686 1.00 0.00 C ATOM 872 C ASP A 60 4.449 -0.795 4.274 1.00 0.00 C ATOM 873 O ASP A 60 4.843 -0.165 3.292 1.00 0.00 O ATOM 874 CB ASP A 60 4.036 1.087 5.869 1.00 0.00 C ATOM 875 CG ASP A 60 3.856 1.452 7.330 1.00 0.00 C ATOM 876 OD1 ASP A 60 3.312 0.621 8.087 1.00 0.00 O ATOM 877 OD2 ASP A 60 4.260 2.569 7.716 1.00 0.00 O ATOM 0 H ASP A 60 6.550 0.712 5.711 1.00 0.00 H new ATOM 0 HA ASP A 60 4.269 -0.984 6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.639 1.851 5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.064 1.083 5.376 1.00 0.00 H new ATOM 882 N ARG A 61 3.792 -1.946 4.179 1.00 0.00 N ATOM 883 CA ARG A 61 3.489 -2.550 2.887 1.00 0.00 C ATOM 884 C ARG A 61 2.094 -2.149 2.413 1.00 0.00 C ATOM 885 O ARG A 61 1.106 -2.349 3.120 1.00 0.00 O ATOM 886 CB ARG A 61 3.592 -4.073 2.975 1.00 0.00 C ATOM 887 CG ARG A 61 5.017 -4.593 2.894 1.00 0.00 C ATOM 888 CD ARG A 61 5.783 -4.320 4.179 1.00 0.00 C ATOM 889 NE ARG A 61 6.886 -5.259 4.369 1.00 0.00 N ATOM 890 CZ ARG A 61 6.717 -6.563 4.552 1.00 0.00 C ATOM 891 NH1 ARG A 61 5.497 -7.081 4.569 1.00 0.00 N ATOM 892 NH2 ARG A 61 7.771 -7.353 4.718 1.00 0.00 N ATOM 0 H ARG A 61 3.459 -2.480 4.982 1.00 0.00 H new ATOM 0 HA ARG A 61 4.218 -2.185 2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.146 -4.405 3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.007 -4.515 2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.004 -5.665 2.698 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.530 -4.122 2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.173 -3.302 4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.102 -4.384 5.028 1.00 0.00 H new ATOM 0 HE ARG A 61 7.838 -4.893 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.685 -6.477 4.441 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.370 -8.083 4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.711 -6.958 4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.640 -8.355 4.859 1.00 0.00 H new ATOM 906 N VAL A 62 2.023 -1.583 1.213 1.00 0.00 N ATOM 907 CA VAL A 62 0.750 -1.155 0.645 1.00 0.00 C ATOM 908 C VAL A 62 0.032 -2.317 -0.032 1.00 0.00 C ATOM 909 O VAL A 62 0.608 -3.016 -0.866 1.00 0.00 O ATOM 910 CB VAL A 62 0.945 -0.021 -0.379 1.00 0.00 C ATOM 911 CG1 VAL A 62 2.114 -0.330 -1.302 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.331 0.203 -1.176 1.00 0.00 C ATOM 0 H VAL A 62 2.831 -1.410 0.615 1.00 0.00 H new ATOM 0 HA VAL A 62 0.142 -0.788 1.472 1.00 0.00 H new ATOM 0 HB VAL A 62 1.173 0.898 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.236 0.482 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.025 -0.435 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.919 -1.259 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.175 1.008 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.594 -0.712 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.140 0.474 -0.498 1.00 0.00 H new ATOM 922 N LEU A 63 -1.230 -2.518 0.332 1.00 0.00 N ATOM 923 CA LEU A 63 -2.029 -3.596 -0.241 1.00 0.00 C ATOM 924 C LEU A 63 -2.807 -3.110 -1.458 1.00 0.00 C ATOM 925 O LEU A 63 -2.745 -3.713 -2.529 1.00 0.00 O ATOM 926 CB LEU A 63 -2.994 -4.154 0.807 1.00 0.00 C ATOM 927 CG LEU A 63 -2.359 -4.664 2.101 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.348 -4.574 3.253 1.00 0.00 C ATOM 929 CD2 LEU A 63 -1.869 -6.094 1.927 1.00 0.00 C ATOM 0 H LEU A 63 -1.722 -1.949 1.021 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.351 -4.388 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.713 -3.375 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.556 -4.971 0.355 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.502 -4.033 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.878 -4.941 4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.650 -3.536 3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.225 -5.180 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.420 -6.441 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.710 -6.738 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.126 -6.130 1.130 1.00 0.00 H new ATOM 941 N ARG A 64 -3.539 -2.013 -1.287 1.00 0.00 N ATOM 942 CA ARG A 64 -4.329 -1.444 -2.372 1.00 0.00 C ATOM 943 C ARG A 64 -4.038 0.045 -2.534 1.00 0.00 C ATOM 944 O ARG A 64 -3.958 0.782 -1.551 1.00 0.00 O ATOM 945 CB ARG A 64 -5.821 -1.658 -2.111 1.00 0.00 C ATOM 946 CG ARG A 64 -6.199 -3.114 -1.894 1.00 0.00 C ATOM 947 CD ARG A 64 -7.636 -3.251 -1.415 1.00 0.00 C ATOM 948 NE ARG A 64 -8.200 -4.557 -1.744 1.00 0.00 N ATOM 949 CZ ARG A 64 -8.533 -4.925 -2.977 1.00 0.00 C ATOM 950 NH1 ARG A 64 -8.359 -4.089 -3.991 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.041 -6.131 -3.196 1.00 0.00 N ATOM 0 H ARG A 64 -3.601 -1.501 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.052 -1.953 -3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.114 -1.081 -1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.389 -1.266 -2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.070 -3.667 -2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.526 -3.561 -1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.674 -3.101 -0.336 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.245 -2.469 -1.868 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.346 -5.224 -0.986 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.969 -3.161 -3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.615 -4.374 -4.936 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.176 -6.776 -2.418 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.296 -6.413 -4.143 1.00 0.00 H new ATOM 965 N ILE A 65 -3.880 0.479 -3.780 1.00 0.00 N ATOM 966 CA ILE A 65 -3.599 1.880 -4.070 1.00 0.00 C ATOM 967 C ILE A 65 -4.836 2.589 -4.610 1.00 0.00 C ATOM 968 O ILE A 65 -5.433 2.153 -5.593 1.00 0.00 O ATOM 969 CB ILE A 65 -2.452 2.025 -5.087 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.738 3.364 -4.896 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.985 1.900 -6.507 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.465 4.532 -5.525 1.00 0.00 C ATOM 0 H ILE A 65 -3.942 -0.119 -4.604 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.300 2.343 -3.130 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.732 1.224 -4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.618 3.553 -3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.737 3.297 -5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.163 2.005 -7.215 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.452 0.924 -6.636 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.722 2.682 -6.689 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.901 5.448 -5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.562 4.365 -6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.456 4.625 -5.081 1.00 0.00 H new ATOM 984 N ASN A 66 -5.214 3.685 -3.962 1.00 0.00 N ATOM 985 CA ASN A 66 -6.380 4.456 -4.378 1.00 0.00 C ATOM 986 C ASN A 66 -7.574 3.542 -4.632 1.00 0.00 C ATOM 987 O ASN A 66 -8.473 3.877 -5.402 1.00 0.00 O ATOM 988 CB ASN A 66 -6.061 5.260 -5.640 1.00 0.00 C ATOM 989 CG ASN A 66 -5.504 6.635 -5.325 1.00 0.00 C ATOM 990 OD1 ASN A 66 -5.986 7.645 -5.838 1.00 0.00 O ATOM 991 ND2 ASN A 66 -4.482 6.679 -4.478 1.00 0.00 N ATOM 0 H ASN A 66 -4.730 4.060 -3.146 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.637 5.144 -3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.341 4.710 -6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.966 5.366 -6.238 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.064 7.576 -4.229 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.115 5.816 -4.077 1.00 0.00 H new ATOM 998 N GLY A 67 -7.576 2.384 -3.978 1.00 0.00 N ATOM 999 CA GLY A 67 -8.665 1.439 -4.146 1.00 0.00 C ATOM 1000 C GLY A 67 -8.437 0.492 -5.307 1.00 0.00 C ATOM 1001 O GLY A 67 -9.353 0.217 -6.083 1.00 0.00 O ATOM 0 H GLY A 67 -6.843 2.084 -3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.786 0.862 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.595 1.985 -4.304 1.00 0.00 H new ATOM 1005 N VAL A 68 -7.211 -0.007 -5.430 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.865 -0.928 -6.506 1.00 0.00 C ATOM 1007 C VAL A 68 -5.819 -1.940 -6.048 1.00 0.00 C ATOM 1008 O VAL A 68 -4.682 -1.579 -5.744 1.00 0.00 O ATOM 1009 CB VAL A 68 -6.330 -0.176 -7.739 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.913 -1.157 -8.824 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -7.375 0.798 -8.262 1.00 0.00 C ATOM 0 H VAL A 68 -6.441 0.211 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.780 -1.453 -6.779 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.450 0.395 -7.442 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.538 -0.607 -9.687 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.129 -1.811 -8.442 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.773 -1.757 -9.122 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.981 1.321 -9.133 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.274 0.250 -8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.620 1.521 -7.484 1.00 0.00 H new ATOM 1021 N PHE A 69 -6.212 -3.208 -6.002 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.309 -4.273 -5.581 1.00 0.00 C ATOM 1023 C PHE A 69 -4.011 -4.234 -6.383 1.00 0.00 C ATOM 1024 O PHE A 69 -3.996 -4.538 -7.576 1.00 0.00 O ATOM 1025 CB PHE A 69 -5.983 -5.637 -5.745 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.353 -6.720 -4.917 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.133 -6.535 -3.562 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.981 -7.924 -5.494 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -4.553 -7.530 -2.798 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.401 -8.923 -4.735 1.00 0.00 C ATOM 1031 CZ PHE A 69 -4.188 -8.726 -3.385 1.00 0.00 C ATOM 0 H PHE A 69 -7.149 -3.524 -6.251 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.070 -4.118 -4.529 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.035 -5.549 -5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.948 -5.927 -6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.418 -5.603 -3.097 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.146 -8.084 -6.549 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.385 -7.373 -1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.115 -9.856 -5.197 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.737 -9.506 -2.789 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.923 -3.859 -5.718 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.620 -3.780 -6.368 1.00 0.00 C ATOM 1043 C VAL A 70 -0.600 -4.667 -5.662 1.00 0.00 C ATOM 1044 O VAL A 70 0.564 -4.296 -5.515 1.00 0.00 O ATOM 1045 CB VAL A 70 -1.093 -2.333 -6.396 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.985 -1.457 -7.263 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.993 -1.775 -4.984 1.00 0.00 C ATOM 0 H VAL A 70 -2.918 -3.605 -4.730 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.755 -4.129 -7.392 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.094 -2.337 -6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.597 -0.438 -7.271 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.000 -1.848 -8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.998 -1.457 -6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.619 -0.752 -5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.979 -1.784 -4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.310 -2.389 -4.398 1.00 0.00 H new ATOM 1057 N ASP A 71 -1.046 -5.841 -5.228 1.00 0.00 N ATOM 1058 CA ASP A 71 -0.171 -6.783 -4.538 1.00 0.00 C ATOM 1059 C ASP A 71 0.759 -7.483 -5.525 1.00 0.00 C ATOM 1060 O ASP A 71 1.958 -7.614 -5.278 1.00 0.00 O ATOM 1061 CB ASP A 71 -1.001 -7.818 -3.778 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.187 -9.035 -3.382 1.00 0.00 C ATOM 1063 OD1 ASP A 71 0.554 -8.953 -2.380 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -0.291 -10.069 -4.074 1.00 0.00 O ATOM 0 H ASP A 71 -2.007 -6.163 -5.341 1.00 0.00 H new ATOM 0 HA ASP A 71 0.438 -6.224 -3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.420 -7.358 -2.883 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.841 -8.132 -4.398 1.00 0.00 H new ATOM 1069 N LYS A 72 0.198 -7.931 -6.642 1.00 0.00 N ATOM 1070 CA LYS A 72 0.975 -8.618 -7.667 1.00 0.00 C ATOM 1071 C LYS A 72 1.381 -7.656 -8.779 1.00 0.00 C ATOM 1072 O LYS A 72 2.360 -7.888 -9.486 1.00 0.00 O ATOM 1073 CB LYS A 72 0.171 -9.781 -8.253 1.00 0.00 C ATOM 1074 CG LYS A 72 0.105 -10.995 -7.342 1.00 0.00 C ATOM 1075 CD LYS A 72 1.418 -11.761 -7.339 1.00 0.00 C ATOM 1076 CE LYS A 72 1.645 -12.482 -8.658 1.00 0.00 C ATOM 1077 NZ LYS A 72 2.856 -13.348 -8.616 1.00 0.00 N ATOM 0 H LYS A 72 -0.793 -7.831 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 72 1.879 -9.008 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.843 -9.441 -8.465 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.614 -10.075 -9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.134 -10.677 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.701 -11.653 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.242 -11.072 -7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.417 -12.484 -6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.772 -13.090 -8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.750 -11.750 -9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.976 -13.822 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.693 -12.765 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.746 -14.063 -7.869 1.00 0.00 H new ATOM 1091 N GLU A 73 0.622 -6.574 -8.925 1.00 0.00 N ATOM 1092 CA GLU A 73 0.904 -5.577 -9.951 1.00 0.00 C ATOM 1093 C GLU A 73 2.389 -5.225 -9.974 1.00 0.00 C ATOM 1094 O GLU A 73 3.123 -5.527 -9.033 1.00 0.00 O ATOM 1095 CB GLU A 73 0.074 -4.315 -9.708 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.393 -4.471 -10.074 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.591 -4.948 -11.499 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.391 -4.138 -12.429 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -1.946 -6.131 -11.686 1.00 0.00 O ATOM 0 H GLU A 73 -0.192 -6.366 -8.346 1.00 0.00 H new ATOM 0 HA GLU A 73 0.634 -6.001 -10.918 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.150 -4.037 -8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.499 -3.494 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.861 -5.179 -9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.900 -3.516 -9.941 1.00 0.00 H new ATOM 1106 N GLU A 74 2.823 -4.587 -11.056 1.00 0.00 N ATOM 1107 CA GLU A 74 4.220 -4.196 -11.202 1.00 0.00 C ATOM 1108 C GLU A 74 4.426 -2.744 -10.779 1.00 0.00 C ATOM 1109 O GLU A 74 3.498 -1.936 -10.822 1.00 0.00 O ATOM 1110 CB GLU A 74 4.678 -4.386 -12.650 1.00 0.00 C ATOM 1111 CG GLU A 74 6.126 -3.992 -12.888 1.00 0.00 C ATOM 1112 CD GLU A 74 6.672 -4.537 -14.193 1.00 0.00 C ATOM 1113 OE1 GLU A 74 6.232 -4.066 -15.263 1.00 0.00 O ATOM 1114 OE2 GLU A 74 7.538 -5.435 -14.146 1.00 0.00 O ATOM 0 H GLU A 74 2.228 -4.330 -11.844 1.00 0.00 H new ATOM 0 HA GLU A 74 4.819 -4.835 -10.552 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.544 -5.431 -12.930 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.037 -3.796 -13.305 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.207 -2.905 -12.890 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.738 -4.356 -12.062 1.00 0.00 H new ATOM 1121 N HIS A 75 5.649 -2.421 -10.370 1.00 0.00 N ATOM 1122 CA HIS A 75 5.978 -1.067 -9.938 1.00 0.00 C ATOM 1123 C HIS A 75 5.501 -0.040 -10.961 1.00 0.00 C ATOM 1124 O HIS A 75 4.821 0.926 -10.615 1.00 0.00 O ATOM 1125 CB HIS A 75 7.485 -0.929 -9.725 1.00 0.00 C ATOM 1126 CG HIS A 75 7.925 0.475 -9.443 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.335 1.270 -8.483 1.00 0.00 N ATOM 1128 CD2 HIS A 75 8.904 1.225 -10.001 1.00 0.00 C ATOM 1129 CE1 HIS A 75 7.931 2.449 -8.464 1.00 0.00 C ATOM 1130 NE2 HIS A 75 8.887 2.447 -9.375 1.00 0.00 N ATOM 0 H HIS A 75 6.428 -3.078 -10.329 1.00 0.00 H new ATOM 0 HA HIS A 75 5.467 -0.879 -8.994 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.786 -1.569 -8.896 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.004 -1.292 -10.612 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.574 0.919 -10.791 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.679 3.274 -7.814 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.512 3.227 -9.580 1.00 0.00 H new ATOM 1139 N ALA A 76 5.863 -0.256 -12.222 1.00 0.00 N ATOM 1140 CA ALA A 76 5.471 0.650 -13.294 1.00 0.00 C ATOM 1141 C ALA A 76 3.953 0.734 -13.415 1.00 0.00 C ATOM 1142 O ALA A 76 3.414 1.738 -13.880 1.00 0.00 O ATOM 1143 CB ALA A 76 6.083 0.202 -14.613 1.00 0.00 C ATOM 0 H ALA A 76 6.427 -1.050 -12.525 1.00 0.00 H new ATOM 0 HA ALA A 76 5.845 1.644 -13.051 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.782 0.888 -15.405 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.170 0.200 -14.528 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.736 -0.803 -14.852 1.00 0.00 H new ATOM 1149 N GLN A 77 3.271 -0.326 -12.995 1.00 0.00 N ATOM 1150 CA GLN A 77 1.815 -0.372 -13.058 1.00 0.00 C ATOM 1151 C GLN A 77 1.196 0.408 -11.903 1.00 0.00 C ATOM 1152 O GLN A 77 0.224 1.141 -12.085 1.00 0.00 O ATOM 1153 CB GLN A 77 1.327 -1.821 -13.030 1.00 0.00 C ATOM 1154 CG GLN A 77 1.745 -2.628 -14.249 1.00 0.00 C ATOM 1155 CD GLN A 77 0.933 -2.284 -15.482 1.00 0.00 C ATOM 1156 OE1 GLN A 77 1.390 -1.544 -16.354 1.00 0.00 O ATOM 1157 NE2 GLN A 77 -0.279 -2.821 -15.562 1.00 0.00 N ATOM 0 H GLN A 77 3.703 -1.165 -12.607 1.00 0.00 H new ATOM 0 HA GLN A 77 1.502 0.090 -13.994 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.711 -2.308 -12.133 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.240 -1.828 -12.956 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.801 -2.451 -14.453 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.636 -3.691 -14.032 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.618 -3.429 -14.816 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.871 -2.626 -16.369 1.00 0.00 H new ATOM 1166 N VAL A 78 1.765 0.245 -10.712 1.00 0.00 N ATOM 1167 CA VAL A 78 1.269 0.934 -9.527 1.00 0.00 C ATOM 1168 C VAL A 78 1.610 2.419 -9.572 1.00 0.00 C ATOM 1169 O VAL A 78 0.729 3.273 -9.462 1.00 0.00 O ATOM 1170 CB VAL A 78 1.851 0.324 -8.238 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.196 0.940 -7.012 1.00 0.00 C ATOM 1172 CG2 VAL A 78 1.681 -1.188 -8.241 1.00 0.00 C ATOM 0 H VAL A 78 2.570 -0.358 -10.543 1.00 0.00 H new ATOM 0 HA VAL A 78 0.186 0.813 -9.521 1.00 0.00 H new ATOM 0 HB VAL A 78 2.917 0.547 -8.200 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.620 0.496 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.375 2.015 -7.006 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.123 0.751 -7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.098 -1.603 -7.323 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.621 -1.435 -8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.202 -1.611 -9.100 1.00 0.00 H new ATOM 1182 N VAL A 79 2.894 2.721 -9.736 1.00 0.00 N ATOM 1183 CA VAL A 79 3.352 4.104 -9.797 1.00 0.00 C ATOM 1184 C VAL A 79 2.356 4.980 -10.549 1.00 0.00 C ATOM 1185 O VAL A 79 2.123 6.130 -10.178 1.00 0.00 O ATOM 1186 CB VAL A 79 4.728 4.210 -10.480 1.00 0.00 C ATOM 1187 CG1 VAL A 79 4.636 3.784 -11.937 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.273 5.625 -10.363 1.00 0.00 C ATOM 0 H VAL A 79 3.635 2.027 -9.829 1.00 0.00 H new ATOM 0 HA VAL A 79 3.437 4.455 -8.768 1.00 0.00 H new ATOM 0 HB VAL A 79 5.418 3.536 -9.973 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.618 3.866 -12.403 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.293 2.751 -11.993 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.931 4.430 -12.461 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.246 5.682 -10.851 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.585 6.321 -10.843 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.379 5.888 -9.311 1.00 0.00 H new ATOM 1198 N GLU A 80 1.771 4.427 -11.607 1.00 0.00 N ATOM 1199 CA GLU A 80 0.799 5.160 -12.411 1.00 0.00 C ATOM 1200 C GLU A 80 -0.434 5.515 -11.585 1.00 0.00 C ATOM 1201 O GLU A 80 -0.908 6.652 -11.613 1.00 0.00 O ATOM 1202 CB GLU A 80 0.387 4.333 -13.631 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.861 4.852 -14.325 1.00 0.00 C ATOM 1204 CD GLU A 80 -1.414 3.872 -15.340 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -0.820 3.750 -16.432 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -2.441 3.226 -15.044 1.00 0.00 O ATOM 0 H GLU A 80 1.953 3.476 -11.927 1.00 0.00 H new ATOM 0 HA GLU A 80 1.268 6.084 -12.748 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.210 4.319 -14.345 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.218 3.302 -13.320 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.625 5.066 -13.578 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.630 5.794 -14.823 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.948 4.536 -10.850 1.00 0.00 N ATOM 1214 CA LEU A 81 -2.126 4.744 -10.015 1.00 0.00 C ATOM 1215 C LEU A 81 -1.940 5.951 -9.101 1.00 0.00 C ATOM 1216 O LEU A 81 -2.854 6.756 -8.924 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.410 3.495 -9.178 1.00 0.00 C ATOM 1218 CG LEU A 81 -3.245 2.408 -9.856 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -4.687 2.864 -10.013 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -2.648 2.042 -11.207 1.00 0.00 C ATOM 0 H LEU A 81 -0.568 3.590 -10.815 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.976 4.935 -10.670 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.457 3.059 -8.878 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.922 3.802 -8.266 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.233 1.520 -9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.266 2.078 -10.497 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.111 3.075 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.719 3.767 -10.623 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.255 1.267 -11.675 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.629 2.924 -11.847 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.632 1.672 -11.068 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.749 6.071 -8.523 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.441 7.181 -7.630 1.00 0.00 C ATOM 1234 C VAL A 82 -0.315 8.490 -8.403 1.00 0.00 C ATOM 1235 O VAL A 82 -0.559 9.568 -7.862 1.00 0.00 O ATOM 1236 CB VAL A 82 0.864 6.930 -6.851 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.265 8.171 -6.068 1.00 0.00 C ATOM 1238 CG2 VAL A 82 0.710 5.732 -5.927 1.00 0.00 C ATOM 0 H VAL A 82 0.018 5.413 -8.658 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.268 7.257 -6.924 1.00 0.00 H new ATOM 0 HB VAL A 82 1.657 6.709 -7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.189 7.975 -5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.419 9.002 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.475 8.426 -5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.641 5.569 -5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.095 5.921 -5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.474 4.846 -6.516 1.00 0.00 H new ATOM 1248 N ARG A 83 0.067 8.386 -9.672 1.00 0.00 N ATOM 1249 CA ARG A 83 0.226 9.562 -10.519 1.00 0.00 C ATOM 1250 C ARG A 83 -1.124 10.213 -10.804 1.00 0.00 C ATOM 1251 O ARG A 83 -1.289 11.422 -10.640 1.00 0.00 O ATOM 1252 CB ARG A 83 0.908 9.180 -11.835 1.00 0.00 C ATOM 1253 CG ARG A 83 2.406 8.963 -11.704 1.00 0.00 C ATOM 1254 CD ARG A 83 3.018 8.496 -13.015 1.00 0.00 C ATOM 1255 NE ARG A 83 4.317 7.858 -12.817 1.00 0.00 N ATOM 1256 CZ ARG A 83 5.451 8.531 -12.661 1.00 0.00 C ATOM 1257 NH1 ARG A 83 5.446 9.857 -12.681 1.00 0.00 N ATOM 1258 NH2 ARG A 83 6.593 7.879 -12.485 1.00 0.00 N ATOM 0 H ARG A 83 0.272 7.501 -10.135 1.00 0.00 H new ATOM 0 HA ARG A 83 0.851 10.280 -9.988 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.450 8.269 -12.221 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.726 9.964 -12.570 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.883 9.891 -11.389 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.601 8.224 -10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.340 7.795 -13.502 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.131 9.348 -13.686 1.00 0.00 H new ATOM 0 HE ARG A 83 4.355 6.839 -12.797 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.570 10.362 -12.816 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.318 10.372 -12.561 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.601 6.859 -12.469 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.463 8.398 -12.365 1.00 0.00 H new ATOM 1272 N LYS A 84 -2.087 9.405 -11.233 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.423 9.901 -11.540 1.00 0.00 C ATOM 1274 C LYS A 84 -4.140 10.355 -10.272 1.00 0.00 C ATOM 1275 O LYS A 84 -4.909 11.316 -10.293 1.00 0.00 O ATOM 1276 CB LYS A 84 -4.243 8.816 -12.241 1.00 0.00 C ATOM 1277 CG LYS A 84 -4.359 7.529 -11.443 1.00 0.00 C ATOM 1278 CD LYS A 84 -4.962 6.409 -12.274 1.00 0.00 C ATOM 1279 CE LYS A 84 -6.357 6.767 -12.762 1.00 0.00 C ATOM 1280 NZ LYS A 84 -6.318 7.570 -14.015 1.00 0.00 N ATOM 0 H LYS A 84 -1.967 8.402 -11.376 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.321 10.758 -12.205 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.243 9.201 -12.441 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.787 8.595 -13.206 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.373 7.230 -11.089 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.976 7.701 -10.561 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.318 6.202 -13.129 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.006 5.497 -11.679 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.927 5.854 -12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.880 7.328 -11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.699 8.520 -13.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.335 7.649 -14.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.893 7.102 -14.745 1.00 0.00 H new ATOM 1294 N SER A 85 -3.881 9.659 -9.170 1.00 0.00 N ATOM 1295 CA SER A 85 -4.504 9.990 -7.894 1.00 0.00 C ATOM 1296 C SER A 85 -4.699 11.497 -7.759 1.00 0.00 C ATOM 1297 O SER A 85 -5.737 11.960 -7.288 1.00 0.00 O ATOM 1298 CB SER A 85 -3.650 9.469 -6.736 1.00 0.00 C ATOM 1299 OG SER A 85 -3.364 8.090 -6.892 1.00 0.00 O ATOM 0 H SER A 85 -3.244 8.863 -9.135 1.00 0.00 H new ATOM 0 HA SER A 85 -5.482 9.510 -7.860 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.719 10.033 -6.685 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.173 9.631 -5.793 1.00 0.00 H new ATOM 0 HG SER A 85 -3.714 7.779 -7.753 1.00 0.00 H new ATOM 1305 N GLY A 86 -3.691 12.258 -8.176 1.00 0.00 N ATOM 1306 CA GLY A 86 -3.771 13.704 -8.094 1.00 0.00 C ATOM 1307 C GLY A 86 -3.072 14.255 -6.867 1.00 0.00 C ATOM 1308 O GLY A 86 -1.919 13.919 -6.598 1.00 0.00 O ATOM 0 H GLY A 86 -2.821 11.898 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.326 14.141 -8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.818 14.007 -8.078 1.00 0.00 H new ATOM 1312 N ASN A 87 -3.770 15.104 -6.121 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.209 15.704 -4.916 1.00 0.00 C ATOM 1314 C ASN A 87 -3.423 14.799 -3.707 1.00 0.00 C ATOM 1315 O ASN A 87 -2.546 14.669 -2.852 1.00 0.00 O ATOM 1316 CB ASN A 87 -3.841 17.073 -4.661 1.00 0.00 C ATOM 1317 CG ASN A 87 -3.827 17.956 -5.894 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -4.801 18.007 -6.645 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -2.719 18.656 -6.108 1.00 0.00 N ATOM 0 H ASN A 87 -4.726 15.392 -6.330 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.137 15.829 -5.068 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.869 16.938 -4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.305 17.573 -3.854 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.651 19.267 -6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.936 18.583 -5.459 1.00 0.00 H new ATOM 1326 N SER A 88 -4.595 14.175 -3.642 1.00 0.00 N ATOM 1327 CA SER A 88 -4.926 13.284 -2.536 1.00 0.00 C ATOM 1328 C SER A 88 -4.759 11.824 -2.946 1.00 0.00 C ATOM 1329 O SER A 88 -5.371 11.363 -3.909 1.00 0.00 O ATOM 1330 CB SER A 88 -6.361 13.532 -2.065 1.00 0.00 C ATOM 1331 OG SER A 88 -7.298 13.001 -2.986 1.00 0.00 O ATOM 0 H SER A 88 -5.331 14.270 -4.342 1.00 0.00 H new ATOM 0 HA SER A 88 -4.240 13.494 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.510 13.076 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.529 14.603 -1.947 1.00 0.00 H new ATOM 0 HG SER A 88 -6.829 12.455 -3.651 1.00 0.00 H new ATOM 1337 N VAL A 89 -3.925 11.100 -2.206 1.00 0.00 N ATOM 1338 CA VAL A 89 -3.677 9.692 -2.490 1.00 0.00 C ATOM 1339 C VAL A 89 -3.989 8.823 -1.277 1.00 0.00 C ATOM 1340 O VAL A 89 -3.629 9.160 -0.148 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.215 9.454 -2.916 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.024 8.022 -3.393 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -1.808 10.444 -3.997 1.00 0.00 C ATOM 0 H VAL A 89 -3.410 11.466 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.337 9.414 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.572 9.612 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.986 7.873 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.273 7.333 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.676 7.833 -4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.773 10.262 -4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.455 10.320 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.904 11.460 -3.615 1.00 0.00 H new ATOM 1353 N THR A 90 -4.660 7.701 -1.516 1.00 0.00 N ATOM 1354 CA THR A 90 -5.022 6.783 -0.443 1.00 0.00 C ATOM 1355 C THR A 90 -4.236 5.480 -0.546 1.00 0.00 C ATOM 1356 O THR A 90 -4.207 4.843 -1.599 1.00 0.00 O ATOM 1357 CB THR A 90 -6.529 6.463 -0.462 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.287 7.678 -0.467 1.00 0.00 O ATOM 1359 CG2 THR A 90 -6.918 5.622 0.745 1.00 0.00 C ATOM 0 H THR A 90 -4.964 7.406 -2.444 1.00 0.00 H new ATOM 0 HA THR A 90 -4.775 7.280 0.495 1.00 0.00 H new ATOM 0 HB THR A 90 -6.747 5.895 -1.367 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.244 7.467 -0.481 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.986 5.408 0.711 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.360 4.686 0.731 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.687 6.169 1.659 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.602 5.090 0.554 1.00 0.00 N ATOM 1368 CA LEU A 91 -2.816 3.861 0.588 1.00 0.00 C ATOM 1369 C LEU A 91 -3.158 3.030 1.820 1.00 0.00 C ATOM 1370 O LEU A 91 -3.234 3.552 2.933 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.321 4.188 0.578 1.00 0.00 C ATOM 1372 CG LEU A 91 -0.883 5.297 -0.379 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.448 5.887 0.061 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -0.789 4.767 -1.802 1.00 0.00 C ATOM 0 H LEU A 91 -3.616 5.606 1.434 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.060 3.278 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.024 4.469 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.773 3.280 0.326 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.633 6.088 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.744 6.675 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.348 6.304 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.208 5.106 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.476 5.570 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.060 3.958 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.764 4.393 -2.116 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.361 1.733 1.614 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.693 0.828 2.709 1.00 0.00 C ATOM 1388 C LEU A 92 -2.461 0.055 3.168 1.00 0.00 C ATOM 1389 O LEU A 92 -1.967 -0.825 2.462 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.788 -0.148 2.275 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.221 0.382 2.338 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.197 -0.654 1.803 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.584 0.773 3.763 1.00 0.00 C ATOM 0 H LEU A 92 -3.302 1.285 0.700 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.057 1.426 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.582 -0.462 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.723 -1.038 2.901 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.286 1.271 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.212 -0.259 1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.951 -0.885 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.129 -1.562 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.607 1.148 3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.501 -0.099 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.904 1.551 4.111 1.00 0.00 H new ATOM 1405 N VAL A 93 -1.969 0.387 4.358 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.797 -0.278 4.914 1.00 0.00 C ATOM 1407 C VAL A 93 -1.187 -1.225 6.044 1.00 0.00 C ATOM 1408 O VAL A 93 -1.876 -0.834 6.987 1.00 0.00 O ATOM 1409 CB VAL A 93 0.228 0.742 5.445 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.766 1.599 4.309 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.396 1.609 6.528 1.00 0.00 C ATOM 0 H VAL A 93 -2.365 1.113 4.955 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.344 -0.850 4.104 1.00 0.00 H new ATOM 0 HB VAL A 93 1.063 0.197 5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.489 2.314 4.703 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.252 0.961 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.057 2.137 3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.342 2.324 6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.250 2.147 6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.728 0.978 7.353 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.741 -2.472 5.942 1.00 0.00 N ATOM 1422 CA LEU A 94 -1.043 -3.477 6.956 1.00 0.00 C ATOM 1423 C LEU A 94 0.223 -3.905 7.692 1.00 0.00 C ATOM 1424 O LEU A 94 1.326 -3.817 7.152 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.709 -4.695 6.313 1.00 0.00 C ATOM 1426 CG LEU A 94 -1.953 -5.891 7.234 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.158 -5.640 8.126 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -2.145 -7.161 6.419 1.00 0.00 C ATOM 0 H LEU A 94 -0.170 -2.812 5.168 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.729 -3.034 7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.666 -4.382 5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.090 -5.025 5.479 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.077 -6.021 7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.316 -6.502 8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.981 -4.754 8.736 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.042 -5.484 7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.317 -8.002 7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.004 -7.043 5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.252 -7.350 5.823 1.00 0.00 H new ATOM 1440 N ASP A 95 0.056 -4.369 8.925 1.00 0.00 N ATOM 1441 CA ASP A 95 1.185 -4.814 9.734 1.00 0.00 C ATOM 1442 C ASP A 95 1.746 -6.130 9.206 1.00 0.00 C ATOM 1443 O ASP A 95 0.997 -7.026 8.819 1.00 0.00 O ATOM 1444 CB ASP A 95 0.760 -4.975 11.195 1.00 0.00 C ATOM 1445 CG ASP A 95 -0.249 -6.091 11.385 1.00 0.00 C ATOM 1446 OD1 ASP A 95 -1.375 -5.968 10.859 1.00 0.00 O ATOM 1447 OD2 ASP A 95 0.089 -7.087 12.057 1.00 0.00 O ATOM 0 H ASP A 95 -0.850 -4.447 9.387 1.00 0.00 H new ATOM 0 HA ASP A 95 1.966 -4.056 9.672 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.640 -5.177 11.806 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.332 -4.038 11.551 1.00 0.00 H new ATOM 1452 N GLY A 96 3.072 -6.239 9.192 1.00 0.00 N ATOM 1453 CA GLY A 96 3.711 -7.448 8.709 1.00 0.00 C ATOM 1454 C GLY A 96 3.259 -8.684 9.461 1.00 0.00 C ATOM 1455 O GLY A 96 2.983 -9.721 8.856 1.00 0.00 O ATOM 0 H GLY A 96 3.714 -5.511 9.507 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.492 -7.572 7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.792 -7.345 8.802 1.00 0.00 H new ATOM 1459 N ASP A 97 3.183 -8.576 10.783 1.00 0.00 N ATOM 1460 CA ASP A 97 2.762 -9.694 11.619 1.00 0.00 C ATOM 1461 C ASP A 97 1.584 -10.431 10.987 1.00 0.00 C ATOM 1462 O ASP A 97 1.583 -11.659 10.899 1.00 0.00 O ATOM 1463 CB ASP A 97 2.380 -9.199 13.015 1.00 0.00 C ATOM 1464 CG ASP A 97 3.592 -8.885 13.869 1.00 0.00 C ATOM 1465 OD1 ASP A 97 4.473 -9.761 13.993 1.00 0.00 O ATOM 1466 OD2 ASP A 97 3.660 -7.763 14.415 1.00 0.00 O ATOM 0 H ASP A 97 3.408 -7.725 11.299 1.00 0.00 H new ATOM 0 HA ASP A 97 3.598 -10.388 11.704 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.762 -8.306 12.924 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.775 -9.956 13.513 1.00 0.00 H new ATOM 1471 N SER A 98 0.584 -9.673 10.550 1.00 0.00 N ATOM 1472 CA SER A 98 -0.602 -10.254 9.931 1.00 0.00 C ATOM 1473 C SER A 98 -0.354 -10.551 8.455 1.00 0.00 C ATOM 1474 O SER A 98 -0.814 -11.564 7.929 1.00 0.00 O ATOM 1475 CB SER A 98 -1.796 -9.310 10.080 1.00 0.00 C ATOM 1476 OG SER A 98 -2.434 -9.488 11.333 1.00 0.00 O ATOM 0 H SER A 98 0.571 -8.655 10.613 1.00 0.00 H new ATOM 0 HA SER A 98 -0.825 -11.192 10.440 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.461 -8.277 9.982 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.509 -9.491 9.276 1.00 0.00 H new ATOM 0 HG SER A 98 -3.133 -10.170 11.250 1.00 0.00 H new ATOM 1482 N TYR A 99 0.375 -9.659 7.794 1.00 0.00 N ATOM 1483 CA TYR A 99 0.682 -9.822 6.378 1.00 0.00 C ATOM 1484 C TYR A 99 1.327 -11.179 6.113 1.00 0.00 C ATOM 1485 O TYR A 99 0.812 -11.981 5.335 1.00 0.00 O ATOM 1486 CB TYR A 99 1.611 -8.703 5.904 1.00 0.00 C ATOM 1487 CG TYR A 99 1.705 -8.591 4.399 1.00 0.00 C ATOM 1488 CD1 TYR A 99 2.190 -9.643 3.633 1.00 0.00 C ATOM 1489 CD2 TYR A 99 1.307 -7.432 3.744 1.00 0.00 C ATOM 1490 CE1 TYR A 99 2.278 -9.544 2.258 1.00 0.00 C ATOM 1491 CE2 TYR A 99 1.390 -7.324 2.369 1.00 0.00 C ATOM 1492 CZ TYR A 99 1.877 -8.383 1.630 1.00 0.00 C ATOM 1493 OH TYR A 99 1.961 -8.281 0.261 1.00 0.00 O ATOM 0 H TYR A 99 0.764 -8.816 8.216 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.254 -9.769 5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.259 -7.754 6.309 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.608 -8.873 6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.504 -10.554 4.121 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.926 -6.601 4.320 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.659 -10.371 1.678 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.076 -6.416 1.875 1.00 0.00 H new ATOM 0 HH TYR A 99 1.191 -8.729 -0.148 1.00 0.00 H new ATOM 1503 N GLU A 100 2.456 -11.429 6.769 1.00 0.00 N ATOM 1504 CA GLU A 100 3.171 -12.689 6.604 1.00 0.00 C ATOM 1505 C GLU A 100 2.274 -13.873 6.951 1.00 0.00 C ATOM 1506 O GLU A 100 2.163 -14.829 6.183 1.00 0.00 O ATOM 1507 CB GLU A 100 4.423 -12.709 7.484 1.00 0.00 C ATOM 1508 CG GLU A 100 5.410 -11.599 7.163 1.00 0.00 C ATOM 1509 CD GLU A 100 6.526 -11.496 8.185 1.00 0.00 C ATOM 1510 OE1 GLU A 100 7.408 -12.379 8.191 1.00 0.00 O ATOM 1511 OE2 GLU A 100 6.515 -10.532 8.979 1.00 0.00 O ATOM 0 H GLU A 100 2.895 -10.776 7.419 1.00 0.00 H new ATOM 0 HA GLU A 100 3.468 -12.774 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.124 -12.627 8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.922 -13.671 7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.840 -11.775 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.879 -10.649 7.114 1.00 0.00 H new ATOM 1518 N LYS A 101 1.636 -13.803 8.115 1.00 0.00 N ATOM 1519 CA LYS A 101 0.747 -14.868 8.566 1.00 0.00 C ATOM 1520 C LYS A 101 -0.258 -15.235 7.478 1.00 0.00 C ATOM 1521 O LYS A 101 -0.439 -16.409 7.158 1.00 0.00 O ATOM 1522 CB LYS A 101 0.007 -14.439 9.835 1.00 0.00 C ATOM 1523 CG LYS A 101 -0.376 -15.599 10.736 1.00 0.00 C ATOM 1524 CD LYS A 101 -1.510 -15.225 11.676 1.00 0.00 C ATOM 1525 CE LYS A 101 -2.867 -15.410 11.014 1.00 0.00 C ATOM 1526 NZ LYS A 101 -3.971 -14.856 11.845 1.00 0.00 N ATOM 0 H LYS A 101 1.718 -13.020 8.763 1.00 0.00 H new ATOM 0 HA LYS A 101 1.354 -15.746 8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.635 -13.746 10.395 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.895 -13.895 9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.674 -16.452 10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 101 0.492 -15.911 11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.456 -15.839 12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.396 -14.188 11.991 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.865 -14.921 10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.043 -16.471 10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.778 -15.512 11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.641 -14.733 12.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.266 -13.936 11.461 1.00 0.00 H new ATOM 1540 N ALA A 102 -0.907 -14.223 6.913 1.00 0.00 N ATOM 1541 CA ALA A 102 -1.891 -14.439 5.859 1.00 0.00 C ATOM 1542 C ALA A 102 -1.319 -15.309 4.744 1.00 0.00 C ATOM 1543 O ALA A 102 -1.930 -16.297 4.339 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.367 -13.107 5.299 1.00 0.00 C ATOM 0 H ALA A 102 -0.769 -13.245 7.167 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.742 -14.963 6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.101 -13.284 4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.823 -12.519 6.096 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.518 -12.562 4.886 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.142 -14.934 4.252 1.00 0.00 N ATOM 1551 CA VAL A 103 0.513 -15.681 3.185 1.00 0.00 C ATOM 1552 C VAL A 103 0.527 -17.175 3.487 1.00 0.00 C ATOM 1553 O VAL A 103 0.104 -17.990 2.667 1.00 0.00 O ATOM 1554 CB VAL A 103 1.960 -15.198 2.969 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.658 -16.055 1.923 1.00 0.00 C ATOM 1556 CG2 VAL A 103 1.978 -13.731 2.567 1.00 0.00 C ATOM 0 H VAL A 103 0.377 -14.118 4.575 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.062 -15.503 2.276 1.00 0.00 H new ATOM 0 HB VAL A 103 2.503 -15.300 3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.679 -15.699 1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.678 -17.092 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.118 -15.988 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.008 -13.407 2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.420 -13.601 1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.519 -13.132 3.354 1.00 0.00 H new ATOM 1566 N LYS A 104 1.015 -17.529 4.671 1.00 0.00 N ATOM 1567 CA LYS A 104 1.083 -18.925 5.085 1.00 0.00 C ATOM 1568 C LYS A 104 -0.294 -19.579 5.020 1.00 0.00 C ATOM 1569 O LYS A 104 -0.435 -20.703 4.540 1.00 0.00 O ATOM 1570 CB LYS A 104 1.643 -19.031 6.505 1.00 0.00 C ATOM 1571 CG LYS A 104 2.954 -18.289 6.699 1.00 0.00 C ATOM 1572 CD LYS A 104 4.148 -19.179 6.399 1.00 0.00 C ATOM 1573 CE LYS A 104 4.552 -19.096 4.935 1.00 0.00 C ATOM 1574 NZ LYS A 104 5.188 -20.358 4.463 1.00 0.00 N ATOM 0 H LYS A 104 1.370 -16.867 5.361 1.00 0.00 H new ATOM 0 HA LYS A 104 1.748 -19.449 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.907 -18.640 7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.791 -20.083 6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.978 -17.415 6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.019 -17.925 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.989 -18.885 7.027 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.907 -20.211 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.673 -18.883 4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.245 -18.266 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.449 -20.262 3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.041 -20.548 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.518 -21.146 4.572 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.306 -18.867 5.505 1.00 0.00 N ATOM 1589 CA ASN A 105 -2.672 -19.379 5.500 1.00 0.00 C ATOM 1590 C ASN A 105 -3.385 -19.015 4.202 1.00 0.00 C ATOM 1591 O ASN A 105 -4.612 -19.059 4.124 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.450 -18.825 6.695 1.00 0.00 C ATOM 1593 CG ASN A 105 -2.811 -19.190 8.021 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -2.573 -20.364 8.306 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -2.530 -18.183 8.840 1.00 0.00 N ATOM 0 H ASN A 105 -1.206 -17.935 5.906 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.627 -20.465 5.576 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.514 -17.740 6.612 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.471 -19.207 6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.100 -18.367 9.746 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -2.745 -17.225 8.563 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.606 -18.656 3.186 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.164 -18.284 1.891 1.00 0.00 C ATOM 1604 C GLN A 106 -4.499 -17.565 2.059 1.00 0.00 C ATOM 1605 O GLN A 106 -5.494 -17.927 1.432 1.00 0.00 O ATOM 1606 CB GLN A 106 -3.347 -19.525 1.016 1.00 0.00 C ATOM 1607 CG GLN A 106 -2.073 -20.335 0.834 1.00 0.00 C ATOM 1608 CD GLN A 106 -2.347 -21.771 0.434 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -3.500 -22.190 0.331 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -1.285 -22.535 0.205 1.00 0.00 N ATOM 0 H GLN A 106 -1.588 -18.615 3.235 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.465 -17.604 1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.112 -20.162 1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.715 -19.218 0.037 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.452 -19.862 0.073 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.503 -20.323 1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.347 -22.147 0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.408 -23.510 -0.068 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.512 -16.544 2.910 1.00 0.00 N ATOM 1620 CA VAL A 107 -5.724 -15.773 3.161 1.00 0.00 C ATOM 1621 C VAL A 107 -5.926 -14.705 2.092 1.00 0.00 C ATOM 1622 O VAL A 107 -4.962 -14.159 1.555 1.00 0.00 O ATOM 1623 CB VAL A 107 -5.684 -15.098 4.545 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -6.824 -14.101 4.686 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.739 -16.143 5.649 1.00 0.00 C ATOM 0 H VAL A 107 -3.697 -16.231 3.437 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.558 -16.475 3.132 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.744 -14.554 4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.779 -13.634 5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.734 -13.334 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -7.776 -14.619 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.710 -15.648 6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.662 -16.716 5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.885 -16.814 5.558 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.186 -14.411 1.788 1.00 0.00 N ATOM 1636 CA ASP A 108 -7.516 -13.406 0.784 1.00 0.00 C ATOM 1637 C ASP A 108 -7.184 -12.005 1.288 1.00 0.00 C ATOM 1638 O ASP A 108 -7.895 -11.451 2.128 1.00 0.00 O ATOM 1639 CB ASP A 108 -8.997 -13.491 0.415 1.00 0.00 C ATOM 1640 CG ASP A 108 -9.380 -14.852 -0.133 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -8.485 -15.563 -0.636 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -10.575 -15.206 -0.058 1.00 0.00 O ATOM 0 H ASP A 108 -7.995 -14.854 2.223 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.916 -13.604 -0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.601 -13.274 1.296 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.228 -12.726 -0.326 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.100 -11.437 0.772 1.00 0.00 N ATOM 1648 CA LEU A 109 -5.672 -10.101 1.170 1.00 0.00 C ATOM 1649 C LEU A 109 -6.570 -9.035 0.550 1.00 0.00 C ATOM 1650 O LEU A 109 -6.808 -7.984 1.146 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.219 -9.864 0.755 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.170 -10.717 1.468 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -1.811 -10.557 0.805 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.093 -10.346 2.942 1.00 0.00 C ATOM 0 H LEU A 109 -5.501 -11.881 0.076 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.749 -10.030 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.135 -10.041 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.980 -8.814 0.924 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.468 -11.763 1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.077 -11.172 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.875 -10.873 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.506 -9.512 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.341 -10.963 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.820 -9.295 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.063 -10.513 3.410 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.069 -9.313 -0.650 1.00 0.00 N ATOM 1667 CA LYS A 110 -7.944 -8.381 -1.351 1.00 0.00 C ATOM 1668 C LYS A 110 -9.098 -7.941 -0.456 1.00 0.00 C ATOM 1669 O LYS A 110 -9.530 -6.790 -0.508 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.491 -9.024 -2.627 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.598 -8.826 -3.840 1.00 0.00 C ATOM 1672 CD LYS A 110 -8.387 -8.924 -5.135 1.00 0.00 C ATOM 1673 CE LYS A 110 -8.586 -10.371 -5.557 1.00 0.00 C ATOM 1674 NZ LYS A 110 -9.806 -10.965 -4.944 1.00 0.00 N ATOM 0 H LYS A 110 -6.882 -10.178 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.358 -7.502 -1.617 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.626 -10.092 -2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.476 -8.608 -2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.113 -7.851 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.807 -9.576 -3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.357 -8.444 -5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.864 -8.383 -5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.662 -10.425 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.713 -10.957 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.553 -11.843 -4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.218 -10.291 -4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.500 -11.177 -5.689 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.590 -8.863 0.365 1.00 0.00 N ATOM 1689 CA GLU A 111 -10.693 -8.568 1.271 1.00 0.00 C ATOM 1690 C GLU A 111 -10.324 -7.438 2.228 1.00 0.00 C ATOM 1691 O GLU A 111 -11.132 -6.549 2.499 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.079 -9.818 2.065 1.00 0.00 C ATOM 1693 CG GLU A 111 -11.511 -10.984 1.192 1.00 0.00 C ATOM 1694 CD GLU A 111 -12.420 -11.954 1.922 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -13.647 -11.725 1.929 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -11.904 -12.941 2.486 1.00 0.00 O ATOM 0 H GLU A 111 -9.242 -9.820 0.421 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.546 -8.249 0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.230 -10.127 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.890 -9.568 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.026 -10.602 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.627 -11.516 0.839 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.098 -7.480 2.737 1.00 0.00 N ATOM 1704 CA LEU A 112 -8.619 -6.460 3.665 1.00 0.00 C ATOM 1705 C LEU A 112 -9.196 -5.092 3.316 1.00 0.00 C ATOM 1706 O LEU A 112 -8.705 -4.412 2.415 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.091 -6.402 3.646 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.365 -7.720 3.918 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -4.903 -7.618 3.513 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -6.488 -8.103 5.386 1.00 0.00 C ATOM 0 H LEU A 112 -8.417 -8.209 2.523 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.953 -6.730 4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.774 -6.030 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.766 -5.672 4.387 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.833 -8.501 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.403 -8.565 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.835 -7.390 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.421 -6.825 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.966 -9.043 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.046 -7.321 6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.540 -8.219 5.645 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.240 -4.695 4.035 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.882 -3.407 3.803 1.00 0.00 C ATOM 1724 C ASP A 113 -11.064 -2.647 5.114 1.00 0.00 C ATOM 1725 O ASP A 113 -12.012 -2.894 5.858 1.00 0.00 O ATOM 1726 CB ASP A 113 -12.237 -3.603 3.121 1.00 0.00 C ATOM 1727 CG ASP A 113 -13.179 -4.462 3.942 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -12.743 -5.529 4.422 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -14.352 -4.066 4.105 1.00 0.00 O ATOM 0 H ASP A 113 -10.660 -5.247 4.783 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.237 -2.820 3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.696 -2.630 2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.086 -4.065 2.145 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.149 -1.723 5.388 1.00 0.00 N ATOM 1735 CA GLN A 114 -10.208 -0.929 6.609 1.00 0.00 C ATOM 1736 C GLN A 114 -11.653 -0.645 7.005 1.00 0.00 C ATOM 1737 O GLN A 114 -12.044 -0.844 8.155 1.00 0.00 O ATOM 1738 CB GLN A 114 -9.449 0.386 6.425 1.00 0.00 C ATOM 1739 CG GLN A 114 -10.130 1.353 5.470 1.00 0.00 C ATOM 1740 CD GLN A 114 -10.879 0.645 4.358 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -10.283 -0.062 3.545 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -12.193 0.830 4.317 1.00 0.00 N ATOM 0 H GLN A 114 -9.358 -1.506 4.781 1.00 0.00 H new ATOM 0 HA GLN A 114 -9.738 -1.503 7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -9.333 0.868 7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -8.447 0.169 6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -10.825 1.981 6.028 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -9.382 2.015 5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -12.646 1.424 5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -12.749 0.378 3.591 1.00 0.00 H new