USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 773 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 44 ASN : amide:sc= 0 X(o=0.56,f=0.52) USER MOD Set 1.2: A 49 CYS SG : rot 105:sc= 0.556 USER MOD Set 2.1: A 12 ASN : amide:sc= -2.89! C(o=-2.9!,f=-5.5!) USER MOD Set 2.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 30:sc= -0.386 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -120:sc= -1.38 USER MOD Single : A 27 SER OG : rot 180:sc= -0.46 USER MOD Single : A 29 HIS : no HD1:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 35 SER OG : rot 81:sc= -1.45 USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= 0.451 (180deg=0.448) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.266 K(o=0.27,f=-1.9!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= -0.518 (180deg=-0.518) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.369 K(o=-0.37,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.21) USER MOD Single : A 73 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-2.1) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.51) USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0188) USER MOD Single : A 86 SER OG : rot 88:sc= 1.29 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 4.853 -6.938 -5.300 1.00 0.00 N ATOM 63 CA GLU A 5 5.080 -5.811 -6.196 1.00 0.00 C ATOM 64 C GLU A 5 3.795 -5.029 -6.414 1.00 0.00 C ATOM 65 O GLU A 5 3.610 -3.943 -5.866 1.00 0.00 O ATOM 66 CB GLU A 5 5.635 -6.302 -7.536 1.00 0.00 C ATOM 67 CG GLU A 5 7.004 -5.733 -7.872 1.00 0.00 C ATOM 68 CD GLU A 5 7.290 -5.742 -9.361 1.00 0.00 C ATOM 69 OE1 GLU A 5 6.899 -6.719 -10.034 1.00 0.00 O ATOM 70 OE2 GLU A 5 7.905 -4.774 -9.853 1.00 0.00 O ATOM 0 HA GLU A 5 5.811 -5.148 -5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.697 -7.390 -7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.936 -6.036 -8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.070 -4.711 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.770 -6.311 -7.355 1.00 0.00 H new ATOM 77 N SER A 6 2.912 -5.597 -7.215 1.00 0.00 N ATOM 78 CA SER A 6 1.631 -4.970 -7.516 1.00 0.00 C ATOM 79 C SER A 6 0.682 -5.089 -6.328 1.00 0.00 C ATOM 80 O SER A 6 0.963 -5.806 -5.368 1.00 0.00 O ATOM 81 CB SER A 6 1.002 -5.609 -8.755 1.00 0.00 C ATOM 82 OG SER A 6 1.899 -5.588 -9.852 1.00 0.00 O ATOM 0 H SER A 6 3.057 -6.497 -7.673 1.00 0.00 H new ATOM 0 HA SER A 6 1.808 -3.913 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.718 -6.638 -8.533 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.088 -5.076 -9.018 1.00 0.00 H new ATOM 0 HG SER A 6 1.473 -6.004 -10.631 1.00 0.00 H new ATOM 88 N ILE A 7 -0.441 -4.383 -6.397 1.00 0.00 N ATOM 89 CA ILE A 7 -1.426 -4.413 -5.323 1.00 0.00 C ATOM 90 C ILE A 7 -2.731 -5.047 -5.792 1.00 0.00 C ATOM 91 O ILE A 7 -3.663 -4.350 -6.193 1.00 0.00 O ATOM 92 CB ILE A 7 -1.716 -2.999 -4.783 1.00 0.00 C ATOM 93 CG1 ILE A 7 -0.416 -2.199 -4.657 1.00 0.00 C ATOM 94 CG2 ILE A 7 -2.430 -3.082 -3.442 1.00 0.00 C ATOM 95 CD1 ILE A 7 -0.616 -0.797 -4.121 1.00 0.00 C ATOM 0 H ILE A 7 -0.691 -3.784 -7.184 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.001 -5.016 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.368 -2.482 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.269 -2.736 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.061 -2.140 -5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.628 -2.076 -3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.372 -3.616 -3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.801 -3.613 -2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.347 -0.290 -4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.275 -0.243 -4.789 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.064 -0.847 -3.129 1.00 0.00 H new ATOM 107 N ARG A 8 -2.789 -6.373 -5.739 1.00 0.00 N ATOM 108 CA ARG A 8 -3.978 -7.104 -6.159 1.00 0.00 C ATOM 109 C ARG A 8 -4.960 -7.258 -5.002 1.00 0.00 C ATOM 110 O ARG A 8 -5.013 -8.303 -4.355 1.00 0.00 O ATOM 111 CB ARG A 8 -3.590 -8.482 -6.699 1.00 0.00 C ATOM 112 CG ARG A 8 -4.585 -9.044 -7.703 1.00 0.00 C ATOM 113 CD ARG A 8 -3.956 -9.222 -9.075 1.00 0.00 C ATOM 114 NE ARG A 8 -4.959 -9.267 -10.136 1.00 0.00 N ATOM 115 CZ ARG A 8 -4.681 -9.099 -11.426 1.00 0.00 C ATOM 116 NH1 ARG A 8 -3.434 -8.875 -11.820 1.00 0.00 N ATOM 117 NH2 ARG A 8 -5.653 -9.157 -12.326 1.00 0.00 N ATOM 0 H ARG A 8 -2.026 -6.964 -5.409 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.464 -6.533 -6.951 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.609 -8.416 -7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.496 -9.177 -5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.960 -10.004 -7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.443 -8.376 -7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.264 -8.402 -9.265 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.372 -10.142 -9.089 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.929 -9.437 -9.872 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.682 -8.831 -11.132 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.227 -8.747 -12.811 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.613 -9.330 -12.029 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.440 -9.028 -13.315 1.00 0.00 H new ATOM 131 N PHE A 9 -5.738 -6.210 -4.750 1.00 0.00 N ATOM 132 CA PHE A 9 -6.720 -6.231 -3.672 1.00 0.00 C ATOM 133 C PHE A 9 -8.125 -6.437 -4.227 1.00 0.00 C ATOM 134 O PHE A 9 -8.807 -5.478 -4.591 1.00 0.00 O ATOM 135 CB PHE A 9 -6.658 -4.927 -2.873 1.00 0.00 C ATOM 136 CG PHE A 9 -7.372 -4.997 -1.553 1.00 0.00 C ATOM 137 CD1 PHE A 9 -8.748 -5.151 -1.501 1.00 0.00 C ATOM 138 CD2 PHE A 9 -6.666 -4.908 -0.364 1.00 0.00 C ATOM 139 CE1 PHE A 9 -9.407 -5.215 -0.288 1.00 0.00 C ATOM 140 CE2 PHE A 9 -7.319 -4.971 0.852 1.00 0.00 C ATOM 141 CZ PHE A 9 -8.691 -5.125 0.890 1.00 0.00 C ATOM 0 H PHE A 9 -5.708 -5.337 -5.277 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.483 -7.064 -3.010 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.614 -4.667 -2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.092 -4.124 -3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.312 -5.222 -2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.593 -4.788 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.480 -5.335 -0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.757 -4.900 1.772 1.00 0.00 H new ATOM 0 HZ PHE A 9 -9.203 -5.175 1.839 1.00 0.00 H new ATOM 151 N GLY A 10 -8.553 -7.694 -4.292 1.00 0.00 N ATOM 152 CA GLY A 10 -9.874 -8.001 -4.807 1.00 0.00 C ATOM 153 C GLY A 10 -10.061 -7.522 -6.236 1.00 0.00 C ATOM 154 O GLY A 10 -9.146 -7.637 -7.052 1.00 0.00 O ATOM 0 H GLY A 10 -8.009 -8.505 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.038 -9.078 -4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.627 -7.538 -4.169 1.00 0.00 H new ATOM 158 N PRO A 11 -11.241 -6.973 -6.574 1.00 0.00 N ATOM 159 CA PRO A 11 -11.519 -6.477 -7.926 1.00 0.00 C ATOM 160 C PRO A 11 -10.676 -5.256 -8.280 1.00 0.00 C ATOM 161 O PRO A 11 -10.457 -4.961 -9.455 1.00 0.00 O ATOM 162 CB PRO A 11 -13.004 -6.104 -7.876 1.00 0.00 C ATOM 163 CG PRO A 11 -13.286 -5.855 -6.435 1.00 0.00 C ATOM 164 CD PRO A 11 -12.392 -6.790 -5.671 1.00 0.00 C ATOM 0 HA PRO A 11 -11.280 -7.220 -8.687 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.210 -5.219 -8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.627 -6.908 -8.268 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.082 -4.817 -6.171 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.335 -6.042 -6.205 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.089 -6.365 -4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.889 -7.736 -5.456 1.00 0.00 H new ATOM 172 N ASN A 12 -10.204 -4.550 -7.257 1.00 0.00 N ATOM 173 CA ASN A 12 -9.384 -3.361 -7.462 1.00 0.00 C ATOM 174 C ASN A 12 -7.900 -3.711 -7.421 1.00 0.00 C ATOM 175 O ASN A 12 -7.441 -4.410 -6.518 1.00 0.00 O ATOM 176 CB ASN A 12 -9.700 -2.308 -6.398 1.00 0.00 C ATOM 177 CG ASN A 12 -10.886 -1.443 -6.775 1.00 0.00 C ATOM 178 OD1 ASN A 12 -11.062 -1.084 -7.939 1.00 0.00 O ATOM 179 ND2 ASN A 12 -11.708 -1.103 -5.789 1.00 0.00 N ATOM 0 H ASN A 12 -10.375 -4.781 -6.278 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.617 -2.955 -8.446 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.903 -2.804 -5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.826 -1.675 -6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -12.524 -0.522 -5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.524 -1.423 -4.838 1.00 0.00 H new ATOM 186 N VAL A 13 -7.155 -3.219 -8.406 1.00 0.00 N ATOM 187 CA VAL A 13 -5.722 -3.478 -8.483 1.00 0.00 C ATOM 188 C VAL A 13 -4.940 -2.179 -8.647 1.00 0.00 C ATOM 189 O VAL A 13 -5.214 -1.389 -9.550 1.00 0.00 O ATOM 190 CB VAL A 13 -5.382 -4.421 -9.654 1.00 0.00 C ATOM 191 CG1 VAL A 13 -3.909 -4.801 -9.626 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.260 -5.663 -9.615 1.00 0.00 C ATOM 0 H VAL A 13 -7.520 -2.639 -9.162 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.435 -3.958 -7.547 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.580 -3.894 -10.587 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.689 -5.467 -10.460 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.299 -3.901 -9.709 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.682 -5.308 -8.688 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.004 -6.316 -10.450 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.098 -6.194 -8.677 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.307 -5.371 -9.691 1.00 0.00 H new ATOM 202 N PHE A 14 -3.967 -1.963 -7.770 1.00 0.00 N ATOM 203 CA PHE A 14 -3.146 -0.758 -7.820 1.00 0.00 C ATOM 204 C PHE A 14 -1.723 -1.090 -8.255 1.00 0.00 C ATOM 205 O PHE A 14 -1.003 -1.808 -7.562 1.00 0.00 O ATOM 206 CB PHE A 14 -3.125 -0.065 -6.455 1.00 0.00 C ATOM 207 CG PHE A 14 -4.449 -0.084 -5.745 1.00 0.00 C ATOM 208 CD1 PHE A 14 -4.923 -1.250 -5.165 1.00 0.00 C ATOM 209 CD2 PHE A 14 -5.219 1.065 -5.656 1.00 0.00 C ATOM 210 CE1 PHE A 14 -6.141 -1.270 -4.511 1.00 0.00 C ATOM 211 CE2 PHE A 14 -6.437 1.051 -5.004 1.00 0.00 C ATOM 212 CZ PHE A 14 -6.898 -0.118 -4.430 1.00 0.00 C ATOM 0 H PHE A 14 -3.727 -2.606 -7.016 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.586 -0.082 -8.553 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.378 -0.547 -5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.809 0.970 -6.588 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.334 -2.153 -5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.863 1.982 -6.102 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.500 -2.185 -4.064 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.028 1.953 -4.943 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.849 -0.131 -3.919 1.00 0.00 H new ATOM 222 N TYR A 15 -1.324 -0.565 -9.408 1.00 0.00 N ATOM 223 CA TYR A 15 0.014 -0.808 -9.933 1.00 0.00 C ATOM 224 C TYR A 15 1.034 0.108 -9.265 1.00 0.00 C ATOM 225 O TYR A 15 0.863 1.327 -9.236 1.00 0.00 O ATOM 226 CB TYR A 15 0.037 -0.598 -11.448 1.00 0.00 C ATOM 227 CG TYR A 15 -0.934 -1.482 -12.197 1.00 0.00 C ATOM 228 CD1 TYR A 15 -0.596 -2.786 -12.538 1.00 0.00 C ATOM 229 CD2 TYR A 15 -2.189 -1.013 -12.565 1.00 0.00 C ATOM 230 CE1 TYR A 15 -1.480 -3.597 -13.223 1.00 0.00 C ATOM 231 CE2 TYR A 15 -3.079 -1.818 -13.249 1.00 0.00 C ATOM 232 CZ TYR A 15 -2.720 -3.109 -13.576 1.00 0.00 C ATOM 233 OH TYR A 15 -3.604 -3.913 -14.258 1.00 0.00 O ATOM 0 H TYR A 15 -1.907 0.031 -9.996 1.00 0.00 H new ATOM 0 HA TYR A 15 0.281 -1.842 -9.713 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.193 0.445 -11.665 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.045 -0.786 -11.817 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.374 -3.172 -12.263 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.473 -0.002 -12.312 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.201 -4.608 -13.481 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.051 -1.438 -13.526 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.452 -4.849 -14.011 1.00 0.00 H new ATOM 243 N VAL A 16 2.093 -0.487 -8.727 1.00 0.00 N ATOM 244 CA VAL A 16 3.140 0.276 -8.057 1.00 0.00 C ATOM 245 C VAL A 16 4.002 1.047 -9.056 1.00 0.00 C ATOM 246 O VAL A 16 4.834 1.866 -8.665 1.00 0.00 O ATOM 247 CB VAL A 16 4.047 -0.642 -7.217 1.00 0.00 C ATOM 248 CG1 VAL A 16 3.296 -1.167 -6.003 1.00 0.00 C ATOM 249 CG2 VAL A 16 4.575 -1.790 -8.063 1.00 0.00 C ATOM 0 H VAL A 16 2.249 -1.495 -8.742 1.00 0.00 H new ATOM 0 HA VAL A 16 2.637 0.987 -7.401 1.00 0.00 H new ATOM 0 HB VAL A 16 4.898 -0.059 -6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.952 -1.814 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.972 -0.329 -5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.425 -1.734 -6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.214 -2.428 -7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.738 -2.374 -8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.152 -1.392 -8.898 1.00 0.00 H new ATOM 259 N LEU A 17 3.803 0.783 -10.345 1.00 0.00 N ATOM 260 CA LEU A 17 4.568 1.456 -11.389 1.00 0.00 C ATOM 261 C LEU A 17 3.696 2.443 -12.160 1.00 0.00 C ATOM 262 O LEU A 17 4.193 3.432 -12.699 1.00 0.00 O ATOM 263 CB LEU A 17 5.166 0.429 -12.352 1.00 0.00 C ATOM 264 CG LEU A 17 6.118 -0.584 -11.710 1.00 0.00 C ATOM 265 CD1 LEU A 17 5.848 -1.984 -12.240 1.00 0.00 C ATOM 266 CD2 LEU A 17 7.566 -0.188 -11.959 1.00 0.00 C ATOM 0 H LEU A 17 3.120 0.109 -10.690 1.00 0.00 H new ATOM 0 HA LEU A 17 5.374 2.012 -10.910 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.352 -0.114 -12.832 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.702 0.960 -13.139 1.00 0.00 H new ATOM 0 HG LEU A 17 5.942 -0.586 -10.634 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.535 -2.689 -11.772 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.822 -2.269 -12.009 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.994 -1.999 -13.320 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.228 -0.919 -11.495 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.755 -0.156 -13.032 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.753 0.796 -11.528 1.00 0.00 H new ATOM 278 N LYS A 18 2.396 2.169 -12.212 1.00 0.00 N ATOM 279 CA LYS A 18 1.462 3.034 -12.923 1.00 0.00 C ATOM 280 C LYS A 18 0.667 3.904 -11.952 1.00 0.00 C ATOM 281 O LYS A 18 0.238 5.004 -12.300 1.00 0.00 O ATOM 282 CB LYS A 18 0.506 2.197 -13.775 1.00 0.00 C ATOM 283 CG LYS A 18 1.194 1.079 -14.541 1.00 0.00 C ATOM 284 CD LYS A 18 0.200 0.270 -15.358 1.00 0.00 C ATOM 285 CE LYS A 18 0.902 -0.593 -16.395 1.00 0.00 C ATOM 286 NZ LYS A 18 1.612 -1.743 -15.771 1.00 0.00 N ATOM 0 H LYS A 18 1.966 1.356 -11.771 1.00 0.00 H new ATOM 0 HA LYS A 18 2.042 3.689 -13.573 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.260 1.766 -13.130 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.004 2.851 -14.483 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.951 1.501 -15.202 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.712 0.422 -13.842 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.388 -0.363 -14.694 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.497 0.944 -15.856 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.171 -0.964 -17.113 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.615 0.015 -16.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.077 -2.306 -16.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.327 -1.389 -15.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.928 -2.338 -15.261 1.00 0.00 H new ATOM 300 N LEU A 19 0.471 3.405 -10.735 1.00 0.00 N ATOM 301 CA LEU A 19 -0.274 4.139 -9.718 1.00 0.00 C ATOM 302 C LEU A 19 -1.717 4.363 -10.159 1.00 0.00 C ATOM 303 O LEU A 19 -2.325 5.383 -9.833 1.00 0.00 O ATOM 304 CB LEU A 19 0.399 5.482 -9.428 1.00 0.00 C ATOM 305 CG LEU A 19 1.814 5.388 -8.854 1.00 0.00 C ATOM 306 CD1 LEU A 19 2.552 6.706 -9.032 1.00 0.00 C ATOM 307 CD2 LEU A 19 1.766 4.996 -7.384 1.00 0.00 C ATOM 0 H LEU A 19 0.818 2.496 -10.429 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.279 3.542 -8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.436 6.059 -10.352 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.224 6.039 -8.728 1.00 0.00 H new ATOM 0 HG LEU A 19 2.357 4.616 -9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.556 6.619 -8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.617 6.946 -10.093 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.012 7.498 -8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.781 4.933 -6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.206 5.746 -6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.277 4.027 -7.282 1.00 0.00 H new ATOM 319 N THR A 20 -2.259 3.403 -10.901 1.00 0.00 N ATOM 320 CA THR A 20 -3.631 3.493 -11.387 1.00 0.00 C ATOM 321 C THR A 20 -4.450 2.292 -10.925 1.00 0.00 C ATOM 322 O THR A 20 -4.053 1.144 -11.122 1.00 0.00 O ATOM 323 CB THR A 20 -3.647 3.579 -12.914 1.00 0.00 C ATOM 324 OG1 THR A 20 -2.801 4.622 -13.366 1.00 0.00 O ATOM 325 CG2 THR A 20 -5.026 3.826 -13.485 1.00 0.00 C ATOM 0 H THR A 20 -1.769 2.553 -11.179 1.00 0.00 H new ATOM 0 HA THR A 20 -4.079 4.397 -10.974 1.00 0.00 H new ATOM 0 HB THR A 20 -3.297 2.607 -13.262 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.823 4.660 -14.345 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.966 3.876 -14.572 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.691 3.012 -13.195 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.416 4.768 -13.099 1.00 0.00 H new ATOM 333 N VAL A 21 -5.595 2.566 -10.309 1.00 0.00 N ATOM 334 CA VAL A 21 -6.470 1.507 -9.818 1.00 0.00 C ATOM 335 C VAL A 21 -7.247 0.861 -10.959 1.00 0.00 C ATOM 336 O VAL A 21 -8.073 1.507 -11.605 1.00 0.00 O ATOM 337 CB VAL A 21 -7.468 2.041 -8.771 1.00 0.00 C ATOM 338 CG1 VAL A 21 -8.185 0.890 -8.082 1.00 0.00 C ATOM 339 CG2 VAL A 21 -6.757 2.922 -7.754 1.00 0.00 C ATOM 0 H VAL A 21 -5.939 3.511 -10.138 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.828 0.760 -9.350 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.214 2.649 -9.284 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.885 1.286 -7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.729 0.305 -8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.455 0.254 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.478 3.289 -7.024 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.988 2.342 -7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.295 3.767 -8.264 1.00 0.00 H new ATOM 349 N GLU A 22 -6.978 -0.417 -11.203 1.00 0.00 N ATOM 350 CA GLU A 22 -7.652 -1.152 -12.266 1.00 0.00 C ATOM 351 C GLU A 22 -9.052 -1.574 -11.831 1.00 0.00 C ATOM 352 O GLU A 22 -9.227 -2.605 -11.182 1.00 0.00 O ATOM 353 CB GLU A 22 -6.832 -2.382 -12.663 1.00 0.00 C ATOM 354 CG GLU A 22 -6.718 -2.580 -14.166 1.00 0.00 C ATOM 355 CD GLU A 22 -7.609 -3.696 -14.676 1.00 0.00 C ATOM 356 OE1 GLU A 22 -7.422 -4.851 -14.241 1.00 0.00 O ATOM 357 OE2 GLU A 22 -8.494 -3.414 -15.511 1.00 0.00 O ATOM 0 H GLU A 22 -6.297 -0.966 -10.678 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.744 -0.493 -13.130 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.831 -2.293 -12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.287 -3.269 -12.222 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.980 -1.651 -14.672 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.682 -2.801 -14.422 1.00 0.00 H new ATOM 364 N THR A 23 -10.045 -0.770 -12.194 1.00 0.00 N ATOM 365 CA THR A 23 -11.429 -1.058 -11.843 1.00 0.00 C ATOM 366 C THR A 23 -12.204 -1.559 -13.059 1.00 0.00 C ATOM 367 O THR A 23 -11.838 -1.274 -14.199 1.00 0.00 O ATOM 368 CB THR A 23 -12.103 0.191 -11.272 1.00 0.00 C ATOM 369 OG1 THR A 23 -12.405 1.114 -12.303 1.00 0.00 O ATOM 370 CG2 THR A 23 -11.256 0.912 -10.245 1.00 0.00 C ATOM 0 H THR A 23 -9.916 0.087 -12.732 1.00 0.00 H new ATOM 0 HA THR A 23 -11.431 -1.841 -11.085 1.00 0.00 H new ATOM 0 HB THR A 23 -13.010 -0.168 -10.785 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.940 1.959 -12.132 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.793 1.788 -9.881 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.047 0.242 -9.411 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.318 1.226 -10.703 1.00 0.00 H new ATOM 378 N PRO A 24 -13.290 -2.315 -12.830 1.00 0.00 N ATOM 379 CA PRO A 24 -14.117 -2.856 -13.908 1.00 0.00 C ATOM 380 C PRO A 24 -14.976 -1.786 -14.575 1.00 0.00 C ATOM 381 O PRO A 24 -15.383 -1.933 -15.728 1.00 0.00 O ATOM 382 CB PRO A 24 -14.994 -3.883 -13.193 1.00 0.00 C ATOM 383 CG PRO A 24 -15.098 -3.388 -11.796 1.00 0.00 C ATOM 384 CD PRO A 24 -13.795 -2.701 -11.499 1.00 0.00 C ATOM 0 HA PRO A 24 -13.516 -3.276 -14.715 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -15.976 -3.958 -13.660 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.548 -4.877 -13.228 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.935 -2.699 -11.688 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.271 -4.211 -11.103 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.938 -1.831 -10.858 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.101 -3.365 -10.985 1.00 0.00 H new ATOM 392 N GLU A 25 -15.246 -0.708 -13.845 1.00 0.00 N ATOM 393 CA GLU A 25 -16.054 0.387 -14.368 1.00 0.00 C ATOM 394 C GLU A 25 -15.179 1.587 -14.718 1.00 0.00 C ATOM 395 O GLU A 25 -15.620 2.734 -14.640 1.00 0.00 O ATOM 396 CB GLU A 25 -17.121 0.793 -13.349 1.00 0.00 C ATOM 397 CG GLU A 25 -18.541 0.697 -13.885 1.00 0.00 C ATOM 398 CD GLU A 25 -19.385 -0.309 -13.127 1.00 0.00 C ATOM 399 OE1 GLU A 25 -18.805 -1.239 -12.527 1.00 0.00 O ATOM 400 OE2 GLU A 25 -20.626 -0.168 -13.134 1.00 0.00 O ATOM 0 H GLU A 25 -14.917 -0.570 -12.890 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.546 0.043 -15.278 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.030 0.158 -12.468 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.932 1.817 -13.025 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -19.014 1.678 -13.829 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -18.509 0.419 -14.938 1.00 0.00 H new ATOM 407 N GLY A 26 -13.935 1.316 -15.102 1.00 0.00 N ATOM 408 CA GLY A 26 -13.017 2.383 -15.457 1.00 0.00 C ATOM 409 C GLY A 26 -11.712 2.305 -14.689 1.00 0.00 C ATOM 410 O GLY A 26 -11.082 1.249 -14.628 1.00 0.00 O ATOM 0 H GLY A 26 -13.546 0.376 -15.174 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.809 2.338 -16.526 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.491 3.345 -15.264 1.00 0.00 H new ATOM 414 N SER A 27 -11.306 3.426 -14.101 1.00 0.00 N ATOM 415 CA SER A 27 -10.068 3.481 -13.333 1.00 0.00 C ATOM 416 C SER A 27 -10.101 4.631 -12.332 1.00 0.00 C ATOM 417 O SER A 27 -10.794 5.627 -12.538 1.00 0.00 O ATOM 418 CB SER A 27 -8.868 3.637 -14.270 1.00 0.00 C ATOM 419 OG SER A 27 -8.994 2.798 -15.405 1.00 0.00 O ATOM 0 H SER A 27 -11.816 4.308 -14.142 1.00 0.00 H new ATOM 0 HA SER A 27 -9.969 2.546 -12.782 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.785 4.676 -14.589 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.950 3.394 -13.734 1.00 0.00 H new ATOM 0 HG SER A 27 -8.216 2.918 -15.988 1.00 0.00 H new ATOM 425 N VAL A 28 -9.349 4.486 -11.245 1.00 0.00 N ATOM 426 CA VAL A 28 -9.294 5.513 -10.211 1.00 0.00 C ATOM 427 C VAL A 28 -7.879 6.058 -10.048 1.00 0.00 C ATOM 428 O VAL A 28 -6.936 5.304 -9.808 1.00 0.00 O ATOM 429 CB VAL A 28 -9.779 4.969 -8.854 1.00 0.00 C ATOM 430 CG1 VAL A 28 -9.909 6.097 -7.841 1.00 0.00 C ATOM 431 CG2 VAL A 28 -11.101 4.233 -9.015 1.00 0.00 C ATOM 0 H VAL A 28 -8.770 3.668 -11.058 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.955 6.318 -10.532 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.038 4.261 -8.482 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.253 5.693 -6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.940 6.576 -7.703 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.628 6.831 -8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.428 3.856 -8.046 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.852 4.917 -9.410 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.971 3.399 -9.704 1.00 0.00 H new ATOM 441 N HIS A 29 -7.739 7.373 -10.178 1.00 0.00 N ATOM 442 CA HIS A 29 -6.439 8.021 -10.043 1.00 0.00 C ATOM 443 C HIS A 29 -6.178 8.408 -8.590 1.00 0.00 C ATOM 444 O HIS A 29 -7.082 8.370 -7.756 1.00 0.00 O ATOM 445 CB HIS A 29 -6.370 9.260 -10.939 1.00 0.00 C ATOM 446 CG HIS A 29 -5.363 9.146 -12.041 1.00 0.00 C ATOM 447 ND1 HIS A 29 -4.446 10.134 -12.328 1.00 0.00 N ATOM 448 CD2 HIS A 29 -5.132 8.151 -12.931 1.00 0.00 C ATOM 449 CE1 HIS A 29 -3.695 9.754 -13.346 1.00 0.00 C ATOM 450 NE2 HIS A 29 -4.091 8.554 -13.730 1.00 0.00 N ATOM 0 H HIS A 29 -8.510 8.011 -10.377 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.669 7.315 -10.356 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.353 9.439 -11.374 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.129 10.129 -10.326 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.667 7.215 -12.999 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.894 10.327 -13.789 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.689 8.014 -14.496 1.00 0.00 H new ATOM 459 N LEU A 30 -4.936 8.780 -8.292 1.00 0.00 N ATOM 460 CA LEU A 30 -4.563 9.170 -6.938 1.00 0.00 C ATOM 461 C LEU A 30 -3.212 9.876 -6.920 1.00 0.00 C ATOM 462 O LEU A 30 -2.491 9.885 -7.917 1.00 0.00 O ATOM 463 CB LEU A 30 -4.517 7.942 -6.026 1.00 0.00 C ATOM 464 CG LEU A 30 -3.778 6.728 -6.598 1.00 0.00 C ATOM 465 CD1 LEU A 30 -2.329 7.073 -6.906 1.00 0.00 C ATOM 466 CD2 LEU A 30 -3.847 5.558 -5.629 1.00 0.00 C ATOM 0 H LEU A 30 -4.174 8.819 -8.969 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.319 9.864 -6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.043 8.225 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.539 7.646 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.267 6.440 -7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.824 6.196 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.295 7.881 -7.637 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.828 7.390 -5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.317 4.704 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.384 5.841 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.889 5.289 -5.457 1.00 0.00 H new ATOM 478 N THR A 31 -2.870 10.456 -5.774 1.00 0.00 N ATOM 479 CA THR A 31 -1.600 11.152 -5.618 1.00 0.00 C ATOM 480 C THR A 31 -0.510 10.169 -5.195 1.00 0.00 C ATOM 481 O THR A 31 -0.672 9.442 -4.216 1.00 0.00 O ATOM 482 CB THR A 31 -1.727 12.269 -4.582 1.00 0.00 C ATOM 483 OG1 THR A 31 -2.995 12.893 -4.669 1.00 0.00 O ATOM 484 CG2 THR A 31 -0.674 13.346 -4.732 1.00 0.00 C ATOM 0 H THR A 31 -3.456 10.457 -4.939 1.00 0.00 H new ATOM 0 HA THR A 31 -1.327 11.594 -6.576 1.00 0.00 H new ATOM 0 HB THR A 31 -1.592 11.783 -3.616 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.057 13.603 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.821 14.108 -3.966 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.316 12.905 -4.619 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.758 13.802 -5.718 1.00 0.00 H new ATOM 492 N PRO A 32 0.616 10.123 -5.929 1.00 0.00 N ATOM 493 CA PRO A 32 1.719 9.208 -5.616 1.00 0.00 C ATOM 494 C PRO A 32 2.325 9.460 -4.241 1.00 0.00 C ATOM 495 O PRO A 32 3.051 8.618 -3.713 1.00 0.00 O ATOM 496 CB PRO A 32 2.749 9.482 -6.719 1.00 0.00 C ATOM 497 CG PRO A 32 2.393 10.825 -7.258 1.00 0.00 C ATOM 498 CD PRO A 32 0.902 10.943 -7.118 1.00 0.00 C ATOM 0 HA PRO A 32 1.380 8.173 -5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.764 9.473 -6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.705 8.720 -7.498 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.901 11.615 -6.705 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.696 10.920 -8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.590 11.978 -6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.383 10.569 -8.001 1.00 0.00 H new ATOM 506 N SER A 33 2.023 10.614 -3.660 1.00 0.00 N ATOM 507 CA SER A 33 2.544 10.951 -2.342 1.00 0.00 C ATOM 508 C SER A 33 1.736 10.262 -1.260 1.00 0.00 C ATOM 509 O SER A 33 2.290 9.696 -0.317 1.00 0.00 O ATOM 510 CB SER A 33 2.540 12.466 -2.129 1.00 0.00 C ATOM 511 OG SER A 33 2.545 13.155 -3.367 1.00 0.00 O ATOM 0 H SER A 33 1.425 11.327 -4.077 1.00 0.00 H new ATOM 0 HA SER A 33 3.574 10.600 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.660 12.753 -1.553 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.413 12.756 -1.544 1.00 0.00 H new ATOM 0 HG SER A 33 2.541 14.121 -3.204 1.00 0.00 H new ATOM 517 N GLU A 34 0.427 10.288 -1.419 1.00 0.00 N ATOM 518 CA GLU A 34 -0.463 9.637 -0.472 1.00 0.00 C ATOM 519 C GLU A 34 -0.601 8.177 -0.842 1.00 0.00 C ATOM 520 O GLU A 34 -0.726 7.311 0.022 1.00 0.00 O ATOM 521 CB GLU A 34 -1.832 10.320 -0.447 1.00 0.00 C ATOM 522 CG GLU A 34 -1.790 11.747 0.075 1.00 0.00 C ATOM 523 CD GLU A 34 -2.225 12.763 -0.964 1.00 0.00 C ATOM 524 OE1 GLU A 34 -3.403 12.721 -1.378 1.00 0.00 O ATOM 525 OE2 GLU A 34 -1.388 13.599 -1.363 1.00 0.00 O ATOM 0 H GLU A 34 -0.046 10.752 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.038 9.718 0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.246 10.323 -1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.510 9.734 0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.435 11.829 0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.777 11.980 0.403 1.00 0.00 H new ATOM 532 N SER A 35 -0.525 7.906 -2.134 1.00 0.00 N ATOM 533 CA SER A 35 -0.585 6.544 -2.615 1.00 0.00 C ATOM 534 C SER A 35 0.788 5.904 -2.433 1.00 0.00 C ATOM 535 O SER A 35 0.933 4.683 -2.495 1.00 0.00 O ATOM 536 CB SER A 35 -1.024 6.503 -4.083 1.00 0.00 C ATOM 537 OG SER A 35 0.085 6.347 -4.953 1.00 0.00 O ATOM 0 H SER A 35 -0.422 8.611 -2.864 1.00 0.00 H new ATOM 0 HA SER A 35 -1.325 5.984 -2.044 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.723 5.680 -4.232 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.556 7.422 -4.331 1.00 0.00 H new ATOM 0 HG SER A 35 0.344 5.402 -4.987 1.00 0.00 H new ATOM 543 N GLY A 36 1.795 6.751 -2.183 1.00 0.00 N ATOM 544 CA GLY A 36 3.139 6.264 -1.970 1.00 0.00 C ATOM 545 C GLY A 36 3.267 5.529 -0.658 1.00 0.00 C ATOM 546 O GLY A 36 3.999 4.545 -0.557 1.00 0.00 O ATOM 0 H GLY A 36 1.694 7.764 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.419 5.600 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.836 7.102 -1.987 1.00 0.00 H new ATOM 550 N ILE A 37 2.540 5.998 0.350 1.00 0.00 N ATOM 551 CA ILE A 37 2.574 5.356 1.660 1.00 0.00 C ATOM 552 C ILE A 37 1.952 3.969 1.582 1.00 0.00 C ATOM 553 O ILE A 37 2.353 3.051 2.298 1.00 0.00 O ATOM 554 CB ILE A 37 1.849 6.193 2.738 1.00 0.00 C ATOM 555 CG1 ILE A 37 1.894 5.482 4.096 1.00 0.00 C ATOM 556 CG2 ILE A 37 0.411 6.471 2.326 1.00 0.00 C ATOM 557 CD1 ILE A 37 2.800 6.157 5.100 1.00 0.00 C ATOM 0 H ILE A 37 1.927 6.811 0.288 1.00 0.00 H new ATOM 0 HA ILE A 37 3.621 5.274 1.952 1.00 0.00 H new ATOM 0 HB ILE A 37 2.367 7.147 2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.885 5.432 4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.229 4.455 3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.081 7.061 3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.402 7.023 1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.119 5.528 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.783 5.601 6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.818 6.183 4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.453 7.175 5.276 1.00 0.00 H new ATOM 569 N LEU A 38 0.987 3.821 0.689 1.00 0.00 N ATOM 570 CA LEU A 38 0.321 2.543 0.491 1.00 0.00 C ATOM 571 C LEU A 38 1.204 1.621 -0.342 1.00 0.00 C ATOM 572 O LEU A 38 1.072 0.399 -0.287 1.00 0.00 O ATOM 573 CB LEU A 38 -1.036 2.749 -0.192 1.00 0.00 C ATOM 574 CG LEU A 38 -1.633 1.503 -0.858 1.00 0.00 C ATOM 575 CD1 LEU A 38 -3.106 1.360 -0.510 1.00 0.00 C ATOM 576 CD2 LEU A 38 -1.445 1.564 -2.366 1.00 0.00 C ATOM 0 H LEU A 38 0.646 4.572 0.088 1.00 0.00 H new ATOM 0 HA LEU A 38 0.149 2.080 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.744 3.119 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.929 3.528 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.106 0.627 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.509 0.470 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.217 1.269 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.649 2.239 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.874 0.672 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.944 2.449 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.381 1.614 -2.598 1.00 0.00 H new ATOM 588 N LYS A 39 2.110 2.220 -1.108 1.00 0.00 N ATOM 589 CA LYS A 39 3.022 1.460 -1.951 1.00 0.00 C ATOM 590 C LYS A 39 4.137 0.846 -1.123 1.00 0.00 C ATOM 591 O LYS A 39 4.549 -0.288 -1.362 1.00 0.00 O ATOM 592 CB LYS A 39 3.609 2.354 -3.045 1.00 0.00 C ATOM 593 CG LYS A 39 4.336 1.585 -4.135 1.00 0.00 C ATOM 594 CD LYS A 39 4.376 2.369 -5.438 1.00 0.00 C ATOM 595 CE LYS A 39 5.730 3.027 -5.651 1.00 0.00 C ATOM 596 NZ LYS A 39 5.701 4.008 -6.771 1.00 0.00 N ATOM 0 H LYS A 39 2.231 3.231 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 39 2.458 0.654 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.806 2.936 -3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.300 3.064 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.353 1.365 -3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.840 0.628 -4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.159 1.702 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.597 3.131 -5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.037 3.531 -4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.477 2.261 -5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.651 4.409 -6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.400 3.529 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.031 4.771 -6.547 1.00 0.00 H new ATOM 610 N ARG A 40 4.614 1.598 -0.143 1.00 0.00 N ATOM 611 CA ARG A 40 5.679 1.117 0.728 1.00 0.00 C ATOM 612 C ARG A 40 5.120 0.175 1.783 1.00 0.00 C ATOM 613 O ARG A 40 5.816 -0.718 2.267 1.00 0.00 O ATOM 614 CB ARG A 40 6.404 2.288 1.392 1.00 0.00 C ATOM 615 CG ARG A 40 7.567 2.824 0.573 1.00 0.00 C ATOM 616 CD ARG A 40 7.099 3.384 -0.760 1.00 0.00 C ATOM 617 NE ARG A 40 7.201 2.399 -1.835 1.00 0.00 N ATOM 618 CZ ARG A 40 8.334 2.110 -2.471 1.00 0.00 C ATOM 619 NH1 ARG A 40 9.465 2.722 -2.139 1.00 0.00 N ATOM 620 NH2 ARG A 40 8.338 1.205 -3.440 1.00 0.00 N ATOM 0 H ARG A 40 4.284 2.539 0.070 1.00 0.00 H new ATOM 0 HA ARG A 40 6.397 0.569 0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.691 3.094 1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.773 1.971 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.081 3.603 1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.290 2.026 0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.065 3.717 -0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.695 4.261 -1.014 1.00 0.00 H new ATOM 0 HE ARG A 40 6.354 1.904 -2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.468 3.418 -1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.330 2.496 -2.630 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.473 0.730 -3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.206 0.984 -3.927 1.00 0.00 H new ATOM 634 N LEU A 41 3.853 0.367 2.119 1.00 0.00 N ATOM 635 CA LEU A 41 3.192 -0.481 3.098 1.00 0.00 C ATOM 636 C LEU A 41 2.725 -1.772 2.442 1.00 0.00 C ATOM 637 O LEU A 41 2.556 -2.793 3.109 1.00 0.00 O ATOM 638 CB LEU A 41 2.011 0.252 3.740 1.00 0.00 C ATOM 639 CG LEU A 41 2.393 1.312 4.776 1.00 0.00 C ATOM 640 CD1 LEU A 41 1.150 1.871 5.452 1.00 0.00 C ATOM 641 CD2 LEU A 41 3.349 0.731 5.809 1.00 0.00 C ATOM 0 H LEU A 41 3.263 1.102 1.728 1.00 0.00 H new ATOM 0 HA LEU A 41 3.907 -0.726 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.428 0.729 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.362 -0.483 4.217 1.00 0.00 H new ATOM 0 HG LEU A 41 2.900 2.128 4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.442 2.623 6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.502 2.326 4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.614 1.065 5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.609 1.500 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.870 -0.105 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.254 0.381 5.312 1.00 0.00 H new ATOM 653 N LEU A 42 2.541 -1.727 1.126 1.00 0.00 N ATOM 654 CA LEU A 42 2.121 -2.903 0.382 1.00 0.00 C ATOM 655 C LEU A 42 3.277 -3.886 0.267 1.00 0.00 C ATOM 656 O LEU A 42 3.070 -5.093 0.142 1.00 0.00 O ATOM 657 CB LEU A 42 1.611 -2.512 -1.009 1.00 0.00 C ATOM 658 CG LEU A 42 0.119 -2.765 -1.250 1.00 0.00 C ATOM 659 CD1 LEU A 42 -0.143 -4.249 -1.455 1.00 0.00 C ATOM 660 CD2 LEU A 42 -0.713 -2.231 -0.092 1.00 0.00 C ATOM 0 H LEU A 42 2.676 -0.891 0.557 1.00 0.00 H new ATOM 0 HA LEU A 42 1.303 -3.381 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.814 -1.453 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.182 -3.063 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.176 -2.233 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.208 -4.410 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.420 -4.602 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.171 -4.800 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.769 -2.421 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.416 -2.731 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.550 -1.158 0.008 1.00 0.00 H new ATOM 672 N ILE A 43 4.498 -3.362 0.328 1.00 0.00 N ATOM 673 CA ILE A 43 5.686 -4.199 0.248 1.00 0.00 C ATOM 674 C ILE A 43 5.744 -5.150 1.436 1.00 0.00 C ATOM 675 O ILE A 43 6.247 -6.268 1.327 1.00 0.00 O ATOM 676 CB ILE A 43 6.979 -3.359 0.211 1.00 0.00 C ATOM 677 CG1 ILE A 43 6.850 -2.214 -0.796 1.00 0.00 C ATOM 678 CG2 ILE A 43 8.170 -4.240 -0.135 1.00 0.00 C ATOM 679 CD1 ILE A 43 6.419 -2.663 -2.176 1.00 0.00 C ATOM 0 H ILE A 43 4.688 -2.365 0.432 1.00 0.00 H new ATOM 0 HA ILE A 43 5.617 -4.766 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 43 7.139 -2.928 1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.129 -1.489 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.808 -1.700 -0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.076 -3.634 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.275 -5.022 0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.014 -4.696 -1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.349 -1.798 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.151 -3.365 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.446 -3.150 -2.113 1.00 0.00 H new ATOM 691 N ASN A 44 5.219 -4.698 2.573 1.00 0.00 N ATOM 692 CA ASN A 44 5.204 -5.511 3.782 1.00 0.00 C ATOM 693 C ASN A 44 3.905 -6.296 3.887 1.00 0.00 C ATOM 694 O ASN A 44 3.903 -7.483 4.214 1.00 0.00 O ATOM 695 CB ASN A 44 5.386 -4.630 5.018 1.00 0.00 C ATOM 696 CG ASN A 44 6.835 -4.252 5.250 1.00 0.00 C ATOM 697 OD1 ASN A 44 7.695 -5.117 5.420 1.00 0.00 O ATOM 698 ND2 ASN A 44 7.115 -2.954 5.257 1.00 0.00 N ATOM 0 H ASN A 44 4.800 -3.774 2.680 1.00 0.00 H new ATOM 0 HA ASN A 44 6.032 -6.218 3.727 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.791 -3.724 4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.006 -5.155 5.894 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.074 -2.640 5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.371 -2.271 5.112 1.00 0.00 H new ATOM 705 N LYS A 45 2.805 -5.619 3.600 1.00 0.00 N ATOM 706 CA LYS A 45 1.481 -6.233 3.649 1.00 0.00 C ATOM 707 C LYS A 45 1.239 -6.918 4.991 1.00 0.00 C ATOM 708 O LYS A 45 1.499 -8.111 5.145 1.00 0.00 O ATOM 709 CB LYS A 45 1.323 -7.244 2.512 1.00 0.00 C ATOM 710 CG LYS A 45 0.933 -6.612 1.186 1.00 0.00 C ATOM 711 CD LYS A 45 -0.509 -6.925 0.819 1.00 0.00 C ATOM 712 CE LYS A 45 -1.481 -6.026 1.566 1.00 0.00 C ATOM 713 NZ LYS A 45 -2.831 -6.644 1.684 1.00 0.00 N ATOM 0 H LYS A 45 2.800 -4.636 3.328 1.00 0.00 H new ATOM 0 HA LYS A 45 0.741 -5.442 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.261 -7.785 2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.567 -7.978 2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.068 -5.532 1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.596 -6.975 0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.648 -6.800 -0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.726 -7.968 1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.090 -5.816 2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.563 -5.071 1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.464 -6.000 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.216 -6.821 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.757 -7.543 2.201 1.00 0.00 H new ATOM 727 N GLY A 46 0.739 -6.156 5.957 1.00 0.00 N ATOM 728 CA GLY A 46 0.469 -6.707 7.271 1.00 0.00 C ATOM 729 C GLY A 46 1.731 -6.926 8.079 1.00 0.00 C ATOM 730 O GLY A 46 2.293 -8.021 8.083 1.00 0.00 O ATOM 0 H GLY A 46 0.516 -5.166 5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.194 -6.034 7.814 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.058 -7.655 7.163 1.00 0.00 H new ATOM 734 N GLN A 47 2.178 -5.880 8.766 1.00 0.00 N ATOM 735 CA GLN A 47 3.383 -5.960 9.583 1.00 0.00 C ATOM 736 C GLN A 47 3.365 -4.899 10.678 1.00 0.00 C ATOM 737 O GLN A 47 2.519 -4.004 10.675 1.00 0.00 O ATOM 738 CB GLN A 47 4.628 -5.793 8.708 1.00 0.00 C ATOM 739 CG GLN A 47 5.476 -7.051 8.612 1.00 0.00 C ATOM 740 CD GLN A 47 6.130 -7.414 9.931 1.00 0.00 C ATOM 741 OE1 GLN A 47 6.657 -6.552 10.634 1.00 0.00 O ATOM 742 NE2 GLN A 47 6.098 -8.696 10.274 1.00 0.00 N ATOM 0 H GLN A 47 1.724 -4.967 8.773 1.00 0.00 H new ATOM 0 HA GLN A 47 3.412 -6.942 10.056 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.320 -5.495 7.706 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.238 -4.983 9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.852 -7.881 8.279 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.247 -6.908 7.855 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.650 -9.377 9.661 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.521 -9.000 11.151 1.00 0.00 H new ATOM 751 N LEU A 48 4.302 -5.005 11.613 1.00 0.00 N ATOM 752 CA LEU A 48 4.391 -4.053 12.713 1.00 0.00 C ATOM 753 C LEU A 48 5.497 -3.032 12.462 1.00 0.00 C ATOM 754 O LEU A 48 6.546 -3.067 13.105 1.00 0.00 O ATOM 755 CB LEU A 48 4.644 -4.787 14.032 1.00 0.00 C ATOM 756 CG LEU A 48 3.999 -4.147 15.262 1.00 0.00 C ATOM 757 CD1 LEU A 48 4.409 -2.688 15.382 1.00 0.00 C ATOM 758 CD2 LEU A 48 2.484 -4.273 15.195 1.00 0.00 C ATOM 0 H LEU A 48 5.010 -5.739 11.631 1.00 0.00 H new ATOM 0 HA LEU A 48 3.441 -3.522 12.779 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.277 -5.809 13.938 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.720 -4.849 14.195 1.00 0.00 H new ATOM 0 HG LEU A 48 4.349 -4.675 16.149 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.940 -2.250 16.263 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.493 -2.621 15.477 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.088 -2.146 14.493 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.041 -3.812 16.078 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.116 -3.770 14.300 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.208 -5.327 15.158 1.00 0.00 H new ATOM 770 N CYS A 49 5.254 -2.120 11.526 1.00 0.00 N ATOM 771 CA CYS A 49 6.229 -1.087 11.195 1.00 0.00 C ATOM 772 C CYS A 49 5.799 0.258 11.768 1.00 0.00 C ATOM 773 O CYS A 49 4.879 0.897 11.258 1.00 0.00 O ATOM 774 CB CYS A 49 6.406 -0.976 9.678 1.00 0.00 C ATOM 775 SG CYS A 49 6.412 -2.563 8.810 1.00 0.00 S ATOM 0 H CYS A 49 4.391 -2.075 10.984 1.00 0.00 H new ATOM 0 HA CYS A 49 7.184 -1.369 11.638 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.604 -0.358 9.275 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.342 -0.458 9.470 1.00 0.00 H new ATOM 0 HG CYS A 49 5.275 -2.729 8.201 1.00 0.00 H new ATOM 781 N LEU A 50 6.469 0.679 12.836 1.00 0.00 N ATOM 782 CA LEU A 50 6.157 1.949 13.489 1.00 0.00 C ATOM 783 C LEU A 50 6.137 3.091 12.480 1.00 0.00 C ATOM 784 O LEU A 50 6.810 3.035 11.450 1.00 0.00 O ATOM 785 CB LEU A 50 7.169 2.263 14.601 1.00 0.00 C ATOM 786 CG LEU A 50 7.710 1.062 15.392 1.00 0.00 C ATOM 787 CD1 LEU A 50 6.643 -0.011 15.576 1.00 0.00 C ATOM 788 CD2 LEU A 50 8.941 0.487 14.706 1.00 0.00 C ATOM 0 H LEU A 50 7.233 0.160 13.269 1.00 0.00 H new ATOM 0 HA LEU A 50 5.166 1.851 13.933 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.014 2.787 14.155 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.701 2.952 15.304 1.00 0.00 H new ATOM 0 HG LEU A 50 7.995 1.414 16.383 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.060 -0.846 16.140 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.796 0.407 16.120 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.309 -0.363 14.600 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.313 -0.363 15.278 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.678 0.160 13.700 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.716 1.252 14.648 1.00 0.00 H new ATOM 800 N ARG A 51 5.362 4.127 12.783 1.00 0.00 N ATOM 801 CA ARG A 51 5.258 5.283 11.901 1.00 0.00 C ATOM 802 C ARG A 51 6.614 5.941 11.704 1.00 0.00 C ATOM 803 O ARG A 51 6.851 6.609 10.698 1.00 0.00 O ATOM 804 CB ARG A 51 4.261 6.297 12.463 1.00 0.00 C ATOM 805 CG ARG A 51 3.924 7.420 11.493 1.00 0.00 C ATOM 806 CD ARG A 51 4.334 8.780 12.039 1.00 0.00 C ATOM 807 NE ARG A 51 5.476 9.338 11.318 1.00 0.00 N ATOM 808 CZ ARG A 51 5.822 10.623 11.359 1.00 0.00 C ATOM 809 NH1 ARG A 51 5.118 11.483 12.085 1.00 0.00 N ATOM 810 NH2 ARG A 51 6.874 11.049 10.673 1.00 0.00 N ATOM 0 H ARG A 51 4.798 4.190 13.631 1.00 0.00 H new ATOM 0 HA ARG A 51 4.900 4.935 10.932 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.343 5.778 12.738 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.670 6.728 13.377 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.428 7.243 10.543 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.853 7.417 11.291 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.491 9.467 11.970 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.583 8.686 13.096 1.00 0.00 H new ATOM 0 HE ARG A 51 6.041 8.706 10.750 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.308 11.160 12.615 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.387 12.466 12.113 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.418 10.392 10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.139 12.034 10.705 1.00 0.00 H new ATOM 824 N LYS A 52 7.506 5.742 12.665 1.00 0.00 N ATOM 825 CA LYS A 52 8.840 6.312 12.585 1.00 0.00 C ATOM 826 C LYS A 52 9.574 5.761 11.384 1.00 0.00 C ATOM 827 O LYS A 52 9.824 6.476 10.424 1.00 0.00 O ATOM 828 CB LYS A 52 9.626 6.032 13.868 1.00 0.00 C ATOM 829 CG LYS A 52 10.452 7.214 14.347 1.00 0.00 C ATOM 830 CD LYS A 52 11.115 6.925 15.685 1.00 0.00 C ATOM 831 CE LYS A 52 12.383 7.742 15.865 1.00 0.00 C ATOM 832 NZ LYS A 52 12.732 7.918 17.303 1.00 0.00 N ATOM 0 H LYS A 52 7.329 5.192 13.505 1.00 0.00 H new ATOM 0 HA LYS A 52 8.747 7.392 12.471 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.929 5.744 14.655 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.287 5.182 13.701 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.215 7.451 13.605 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.813 8.092 14.438 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.419 7.149 16.493 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.352 5.863 15.753 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.208 7.250 15.349 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.254 8.720 15.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.603 8.481 17.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.956 8.410 17.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.881 6.986 17.741 1.00 0.00 H new ATOM 846 N HIS A 53 9.899 4.485 11.439 1.00 0.00 N ATOM 847 CA HIS A 53 10.597 3.828 10.338 1.00 0.00 C ATOM 848 C HIS A 53 9.879 4.085 9.021 1.00 0.00 C ATOM 849 O HIS A 53 10.497 4.091 7.956 1.00 0.00 O ATOM 850 CB HIS A 53 10.709 2.326 10.599 1.00 0.00 C ATOM 851 CG HIS A 53 11.355 1.565 9.482 1.00 0.00 C ATOM 852 ND1 HIS A 53 12.717 1.566 9.259 1.00 0.00 N ATOM 853 CD2 HIS A 53 10.820 0.775 8.521 1.00 0.00 C ATOM 854 CE1 HIS A 53 12.990 0.811 8.209 1.00 0.00 C ATOM 855 NE2 HIS A 53 11.856 0.320 7.745 1.00 0.00 N ATOM 0 H HIS A 53 9.693 3.877 12.232 1.00 0.00 H new ATOM 0 HA HIS A 53 11.602 4.245 10.270 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.281 2.167 11.513 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.712 1.921 10.773 1.00 0.00 H new ATOM 0 HD2 HIS A 53 9.773 0.546 8.390 1.00 0.00 H new ATOM 0 HE1 HIS A 53 13.973 0.627 7.801 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.765 -0.298 6.939 1.00 0.00 H new ATOM 864 N LEU A 54 8.576 4.318 9.101 1.00 0.00 N ATOM 865 CA LEU A 54 7.787 4.601 7.913 1.00 0.00 C ATOM 866 C LEU A 54 8.251 5.907 7.283 1.00 0.00 C ATOM 867 O LEU A 54 8.073 6.129 6.085 1.00 0.00 O ATOM 868 CB LEU A 54 6.297 4.677 8.260 1.00 0.00 C ATOM 869 CG LEU A 54 5.443 3.536 7.705 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.012 3.650 8.205 1.00 0.00 C ATOM 871 CD2 LEU A 54 5.479 3.534 6.184 1.00 0.00 C ATOM 0 H LEU A 54 8.046 4.316 9.973 1.00 0.00 H new ATOM 0 HA LEU A 54 7.929 3.791 7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.193 4.694 9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.901 5.621 7.887 1.00 0.00 H new ATOM 0 HG LEU A 54 5.857 2.592 8.060 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.419 2.830 7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.002 3.602 9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.588 4.600 7.880 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.866 2.716 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.090 4.481 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.507 3.404 5.845 1.00 0.00 H new ATOM 883 N LEU A 55 8.849 6.770 8.100 1.00 0.00 N ATOM 884 CA LEU A 55 9.340 8.053 7.619 1.00 0.00 C ATOM 885 C LEU A 55 10.606 7.890 6.778 1.00 0.00 C ATOM 886 O LEU A 55 11.040 8.828 6.114 1.00 0.00 O ATOM 887 CB LEU A 55 9.557 9.019 8.804 1.00 0.00 C ATOM 888 CG LEU A 55 10.949 9.057 9.478 1.00 0.00 C ATOM 889 CD1 LEU A 55 10.792 9.284 10.972 1.00 0.00 C ATOM 890 CD2 LEU A 55 11.760 7.789 9.239 1.00 0.00 C ATOM 0 H LEU A 55 9.004 6.603 9.094 1.00 0.00 H new ATOM 0 HA LEU A 55 8.585 8.487 6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.329 10.027 8.457 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.823 8.773 9.572 1.00 0.00 H new ATOM 0 HG LEU A 55 11.498 9.881 9.022 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.775 9.310 11.441 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.283 10.232 11.144 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.205 8.473 11.404 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.726 7.876 9.736 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.221 6.931 9.641 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.914 7.652 8.169 1.00 0.00 H new ATOM 902 N GLU A 56 11.198 6.694 6.810 1.00 0.00 N ATOM 903 CA GLU A 56 12.412 6.428 6.048 1.00 0.00 C ATOM 904 C GLU A 56 12.080 5.907 4.654 1.00 0.00 C ATOM 905 O GLU A 56 12.897 5.995 3.738 1.00 0.00 O ATOM 906 CB GLU A 56 13.298 5.422 6.788 1.00 0.00 C ATOM 907 CG GLU A 56 14.450 6.065 7.543 1.00 0.00 C ATOM 908 CD GLU A 56 15.631 6.381 6.646 1.00 0.00 C ATOM 909 OE1 GLU A 56 16.461 5.477 6.416 1.00 0.00 O ATOM 910 OE2 GLU A 56 15.725 7.534 6.173 1.00 0.00 O ATOM 0 H GLU A 56 10.856 5.901 7.353 1.00 0.00 H new ATOM 0 HA GLU A 56 12.955 7.367 5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.684 4.858 7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.699 4.707 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.102 6.983 8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.774 5.398 8.342 1.00 0.00 H new ATOM 917 N GLU A 57 10.876 5.370 4.496 1.00 0.00 N ATOM 918 CA GLU A 57 10.444 4.845 3.207 1.00 0.00 C ATOM 919 C GLU A 57 9.758 5.928 2.400 1.00 0.00 C ATOM 920 O GLU A 57 9.868 5.975 1.175 1.00 0.00 O ATOM 921 CB GLU A 57 9.510 3.648 3.398 1.00 0.00 C ATOM 922 CG GLU A 57 9.968 2.685 4.481 1.00 0.00 C ATOM 923 CD GLU A 57 11.232 1.939 4.101 1.00 0.00 C ATOM 924 OE1 GLU A 57 11.372 1.575 2.914 1.00 0.00 O ATOM 925 OE2 GLU A 57 12.082 1.720 4.989 1.00 0.00 O ATOM 0 H GLU A 57 10.184 5.287 5.241 1.00 0.00 H new ATOM 0 HA GLU A 57 11.325 4.509 2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.513 4.012 3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.428 3.108 2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.140 3.238 5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.173 1.967 4.683 1.00 0.00 H new ATOM 932 N ILE A 58 9.074 6.813 3.101 1.00 0.00 N ATOM 933 CA ILE A 58 8.393 7.921 2.461 1.00 0.00 C ATOM 934 C ILE A 58 9.376 9.062 2.238 1.00 0.00 C ATOM 935 O ILE A 58 9.166 9.923 1.383 1.00 0.00 O ATOM 936 CB ILE A 58 7.190 8.422 3.287 1.00 0.00 C ATOM 937 CG1 ILE A 58 6.444 7.241 3.937 1.00 0.00 C ATOM 938 CG2 ILE A 58 6.257 9.241 2.403 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.254 6.738 3.141 1.00 0.00 C ATOM 0 H ILE A 58 8.976 6.785 4.116 1.00 0.00 H new ATOM 0 HA ILE A 58 8.007 7.565 1.506 1.00 0.00 H new ATOM 0 HB ILE A 58 7.556 9.063 4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.145 6.418 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.102 7.543 4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.410 9.591 2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.797 10.098 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.896 8.621 1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.787 5.907 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.530 7.544 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.589 6.401 2.160 1.00 0.00 H new ATOM 951 N LYS A 59 10.472 9.043 3.000 1.00 0.00 N ATOM 952 CA LYS A 59 11.509 10.055 2.871 1.00 0.00 C ATOM 953 C LYS A 59 12.359 9.758 1.644 1.00 0.00 C ATOM 954 O LYS A 59 12.683 10.660 0.871 1.00 0.00 O ATOM 955 CB LYS A 59 12.384 10.102 4.128 1.00 0.00 C ATOM 956 CG LYS A 59 13.627 10.966 3.979 1.00 0.00 C ATOM 957 CD LYS A 59 14.295 11.217 5.322 1.00 0.00 C ATOM 958 CE LYS A 59 13.361 11.934 6.285 1.00 0.00 C ATOM 959 NZ LYS A 59 12.836 11.017 7.334 1.00 0.00 N ATOM 0 H LYS A 59 10.659 8.336 3.711 1.00 0.00 H new ATOM 0 HA LYS A 59 11.037 11.030 2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.789 10.479 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.687 9.087 4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.332 10.478 3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.357 11.918 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.608 10.268 5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.196 11.813 5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.891 12.761 6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.528 12.365 5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.204 11.543 7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.308 10.242 6.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.629 10.625 7.881 1.00 0.00 H new ATOM 973 N ASN A 60 12.693 8.481 1.448 1.00 0.00 N ATOM 974 CA ASN A 60 13.474 8.084 0.284 1.00 0.00 C ATOM 975 C ASN A 60 12.723 8.481 -0.982 1.00 0.00 C ATOM 976 O ASN A 60 13.316 8.683 -2.042 1.00 0.00 O ATOM 977 CB ASN A 60 13.734 6.576 0.296 1.00 0.00 C ATOM 978 CG ASN A 60 14.825 6.172 -0.676 1.00 0.00 C ATOM 979 OD1 ASN A 60 14.547 5.671 -1.766 1.00 0.00 O ATOM 980 ND2 ASN A 60 16.076 6.387 -0.285 1.00 0.00 N ATOM 0 H ASN A 60 12.437 7.716 2.073 1.00 0.00 H new ATOM 0 HA ASN A 60 14.438 8.592 0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.014 6.266 1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.814 6.049 0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.852 6.134 -0.897 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.261 6.805 0.627 1.00 0.00 H new ATOM 987 N HIS A 61 11.406 8.605 -0.842 1.00 0.00 N ATOM 988 CA HIS A 61 10.536 8.993 -1.930 1.00 0.00 C ATOM 989 C HIS A 61 9.986 10.395 -1.678 1.00 0.00 C ATOM 990 O HIS A 61 8.820 10.676 -1.952 1.00 0.00 O ATOM 991 CB HIS A 61 9.388 7.991 -2.062 1.00 0.00 C ATOM 992 CG HIS A 61 8.708 8.031 -3.394 1.00 0.00 C ATOM 993 ND1 HIS A 61 8.820 9.095 -4.265 1.00 0.00 N ATOM 994 CD2 HIS A 61 7.902 7.131 -4.005 1.00 0.00 C ATOM 995 CE1 HIS A 61 8.113 8.847 -5.353 1.00 0.00 C ATOM 996 NE2 HIS A 61 7.546 7.662 -5.221 1.00 0.00 N ATOM 0 H HIS A 61 10.917 8.437 0.037 1.00 0.00 H new ATOM 0 HA HIS A 61 11.105 8.999 -2.859 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.773 6.986 -1.890 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.653 8.189 -1.282 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.596 6.174 -3.610 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.015 9.502 -6.206 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.942 7.214 -5.910 1.00 0.00 H new ATOM 1005 N ALA A 62 10.843 11.262 -1.133 1.00 0.00 N ATOM 1006 CA ALA A 62 10.474 12.641 -0.809 1.00 0.00 C ATOM 1007 C ALA A 62 9.748 12.709 0.529 1.00 0.00 C ATOM 1008 O ALA A 62 8.600 12.282 0.646 1.00 0.00 O ATOM 1009 CB ALA A 62 9.615 13.265 -1.903 1.00 0.00 C ATOM 0 H ALA A 62 11.809 11.028 -0.905 1.00 0.00 H new ATOM 0 HA ALA A 62 11.399 13.214 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.361 14.288 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.168 13.269 -2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.701 12.684 -2.023 1.00 0.00 H new ATOM 1015 N LYS A 63 10.423 13.256 1.536 1.00 0.00 N ATOM 1016 CA LYS A 63 9.839 13.389 2.866 1.00 0.00 C ATOM 1017 C LYS A 63 9.018 14.670 2.964 1.00 0.00 C ATOM 1018 O LYS A 63 9.165 15.444 3.911 1.00 0.00 O ATOM 1019 CB LYS A 63 10.938 13.393 3.933 1.00 0.00 C ATOM 1020 CG LYS A 63 12.068 14.366 3.637 1.00 0.00 C ATOM 1021 CD LYS A 63 12.545 15.069 4.898 1.00 0.00 C ATOM 1022 CE LYS A 63 13.834 15.837 4.654 1.00 0.00 C ATOM 1023 NZ LYS A 63 15.037 14.991 4.886 1.00 0.00 N ATOM 0 H LYS A 63 11.375 13.614 1.456 1.00 0.00 H new ATOM 0 HA LYS A 63 9.182 12.536 3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.496 13.644 4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.349 12.388 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.901 13.830 3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.731 15.107 2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.773 15.754 5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.702 14.335 5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.845 16.211 3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.869 16.706 5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.895 15.552 4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.040 14.654 5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.017 14.175 4.241 1.00 0.00 H new ATOM 1092 N ARG A 68 4.237 18.535 4.447 1.00 0.00 N ATOM 1093 CA ARG A 68 3.294 17.447 4.214 1.00 0.00 C ATOM 1094 C ARG A 68 3.762 16.158 4.886 1.00 0.00 C ATOM 1095 O ARG A 68 3.902 15.125 4.232 1.00 0.00 O ATOM 1096 CB ARG A 68 3.112 17.217 2.711 1.00 0.00 C ATOM 1097 CG ARG A 68 2.111 18.163 2.066 1.00 0.00 C ATOM 1098 CD ARG A 68 1.202 17.433 1.090 1.00 0.00 C ATOM 1099 NE ARG A 68 0.285 18.344 0.409 1.00 0.00 N ATOM 1100 CZ ARG A 68 -0.755 18.928 1.000 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -1.013 18.700 2.282 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -1.539 19.743 0.308 1.00 0.00 N ATOM 0 HA ARG A 68 2.337 17.732 4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.076 17.329 2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.787 16.190 2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.508 18.639 2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.644 18.957 1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.809 16.910 0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.629 16.676 1.625 1.00 0.00 H new ATOM 0 HE ARG A 68 0.451 18.544 -0.577 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.413 18.074 2.820 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.811 19.150 2.729 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.345 19.922 -0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.336 20.190 0.761 1.00 0.00 H new ATOM 1116 N ASN A 69 4.004 16.226 6.196 1.00 0.00 N ATOM 1117 CA ASN A 69 4.459 15.062 6.961 1.00 0.00 C ATOM 1118 C ASN A 69 3.740 13.792 6.512 1.00 0.00 C ATOM 1119 O ASN A 69 2.600 13.845 6.051 1.00 0.00 O ATOM 1120 CB ASN A 69 4.229 15.289 8.456 1.00 0.00 C ATOM 1121 CG ASN A 69 4.805 16.607 8.936 1.00 0.00 C ATOM 1122 OD1 ASN A 69 5.988 16.699 9.263 1.00 0.00 O ATOM 1123 ND2 ASN A 69 3.968 17.637 8.981 1.00 0.00 N ATOM 0 H ASN A 69 3.893 17.075 6.750 1.00 0.00 H new ATOM 0 HA ASN A 69 5.526 14.935 6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.159 15.266 8.664 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.681 14.472 9.018 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.298 18.549 9.296 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.995 17.516 8.701 1.00 0.00 H new ATOM 1130 N VAL A 70 4.416 12.653 6.633 1.00 0.00 N ATOM 1131 CA VAL A 70 3.836 11.381 6.219 1.00 0.00 C ATOM 1132 C VAL A 70 2.529 11.092 6.946 1.00 0.00 C ATOM 1133 O VAL A 70 1.668 10.383 6.429 1.00 0.00 O ATOM 1134 CB VAL A 70 4.814 10.205 6.429 1.00 0.00 C ATOM 1135 CG1 VAL A 70 5.017 9.904 7.908 1.00 0.00 C ATOM 1136 CG2 VAL A 70 4.313 8.972 5.699 1.00 0.00 C ATOM 0 H VAL A 70 5.360 12.585 7.012 1.00 0.00 H new ATOM 0 HA VAL A 70 3.630 11.475 5.153 1.00 0.00 H new ATOM 0 HB VAL A 70 5.781 10.494 6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.711 9.071 8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.425 10.784 8.406 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.061 9.642 8.360 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.011 8.149 5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.332 8.694 6.085 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.236 9.186 4.633 1.00 0.00 H new ATOM 1146 N ASP A 71 2.385 11.646 8.142 1.00 0.00 N ATOM 1147 CA ASP A 71 1.175 11.445 8.932 1.00 0.00 C ATOM 1148 C ASP A 71 -0.024 12.074 8.247 1.00 0.00 C ATOM 1149 O ASP A 71 -0.999 11.396 7.920 1.00 0.00 O ATOM 1150 CB ASP A 71 1.346 12.027 10.336 1.00 0.00 C ATOM 1151 CG ASP A 71 0.701 11.164 11.402 1.00 0.00 C ATOM 1152 OD1 ASP A 71 1.288 10.120 11.756 1.00 0.00 O ATOM 1153 OD2 ASP A 71 -0.391 11.533 11.885 1.00 0.00 O ATOM 0 H ASP A 71 3.088 12.237 8.587 1.00 0.00 H new ATOM 0 HA ASP A 71 1.001 10.372 9.018 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.408 12.136 10.554 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.910 13.026 10.368 1.00 0.00 H new ATOM 1158 N VAL A 72 0.063 13.371 8.022 1.00 0.00 N ATOM 1159 CA VAL A 72 -1.007 14.102 7.359 1.00 0.00 C ATOM 1160 C VAL A 72 -1.262 13.533 5.970 1.00 0.00 C ATOM 1161 O VAL A 72 -2.343 13.702 5.405 1.00 0.00 O ATOM 1162 CB VAL A 72 -0.680 15.603 7.242 1.00 0.00 C ATOM 1163 CG1 VAL A 72 -1.889 16.376 6.739 1.00 0.00 C ATOM 1164 CG2 VAL A 72 -0.204 16.152 8.578 1.00 0.00 C ATOM 0 H VAL A 72 0.864 13.944 8.288 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.902 13.989 7.971 1.00 0.00 H new ATOM 0 HB VAL A 72 0.126 15.725 6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.638 17.434 6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.179 16.000 5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.718 16.249 7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.022 17.213 8.475 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.986 16.018 9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.693 15.619 8.892 1.00 0.00 H new ATOM 1174 N HIS A 73 -0.260 12.847 5.430 1.00 0.00 N ATOM 1175 CA HIS A 73 -0.374 12.238 4.114 1.00 0.00 C ATOM 1176 C HIS A 73 -1.261 11.001 4.171 1.00 0.00 C ATOM 1177 O HIS A 73 -1.865 10.611 3.172 1.00 0.00 O ATOM 1178 CB HIS A 73 1.011 11.869 3.575 1.00 0.00 C ATOM 1179 CG HIS A 73 1.515 12.811 2.527 1.00 0.00 C ATOM 1180 ND1 HIS A 73 2.848 12.920 2.190 1.00 0.00 N ATOM 1181 CD2 HIS A 73 0.856 13.691 1.736 1.00 0.00 C ATOM 1182 CE1 HIS A 73 2.987 13.827 1.239 1.00 0.00 C ATOM 1183 NE2 HIS A 73 1.794 14.309 0.945 1.00 0.00 N ATOM 0 H HIS A 73 0.641 12.700 5.886 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.831 12.962 3.440 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.720 11.846 4.403 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.974 10.862 3.159 1.00 0.00 H new ATOM 0 HD1 HIS A 73 3.608 12.384 2.609 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.209 13.873 1.728 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.919 14.124 0.780 1.00 0.00 H new ATOM 1192 N ILE A 74 -1.340 10.388 5.348 1.00 0.00 N ATOM 1193 CA ILE A 74 -2.161 9.197 5.529 1.00 0.00 C ATOM 1194 C ILE A 74 -3.641 9.545 5.474 1.00 0.00 C ATOM 1195 O ILE A 74 -4.464 8.740 5.039 1.00 0.00 O ATOM 1196 CB ILE A 74 -1.864 8.486 6.866 1.00 0.00 C ATOM 1197 CG1 ILE A 74 -0.360 8.458 7.146 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -2.428 7.073 6.848 1.00 0.00 C ATOM 1199 CD1 ILE A 74 0.470 7.973 5.976 1.00 0.00 C ATOM 0 H ILE A 74 -0.848 10.695 6.187 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.910 8.520 4.712 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.347 9.046 7.667 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.032 9.460 7.421 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.172 7.814 8.005 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.211 6.583 7.797 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.507 7.114 6.698 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.970 6.509 6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.525 7.981 6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.171 6.958 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.312 8.630 5.121 1.00 0.00 H new ATOM 1211 N ALA A 75 -3.971 10.750 5.917 1.00 0.00 N ATOM 1212 CA ALA A 75 -5.351 11.208 5.918 1.00 0.00 C ATOM 1213 C ALA A 75 -5.815 11.534 4.509 1.00 0.00 C ATOM 1214 O ALA A 75 -6.952 11.250 4.134 1.00 0.00 O ATOM 1215 CB ALA A 75 -5.515 12.414 6.830 1.00 0.00 C ATOM 0 H ALA A 75 -3.301 11.428 6.280 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.975 10.401 6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.555 12.741 6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.233 12.142 7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.875 13.224 6.481 1.00 0.00 H new ATOM 1221 N SER A 76 -4.921 12.120 3.732 1.00 0.00 N ATOM 1222 CA SER A 76 -5.228 12.474 2.354 1.00 0.00 C ATOM 1223 C SER A 76 -5.337 11.220 1.504 1.00 0.00 C ATOM 1224 O SER A 76 -6.077 11.185 0.520 1.00 0.00 O ATOM 1225 CB SER A 76 -4.161 13.411 1.786 1.00 0.00 C ATOM 1226 OG SER A 76 -4.559 14.766 1.899 1.00 0.00 O ATOM 0 H SER A 76 -3.976 12.362 4.030 1.00 0.00 H new ATOM 0 HA SER A 76 -6.185 12.996 2.336 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.221 13.260 2.316 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.980 13.168 0.739 1.00 0.00 H new ATOM 0 HG SER A 76 -3.859 15.344 1.530 1.00 0.00 H new ATOM 1232 N LEU A 77 -4.613 10.184 1.903 1.00 0.00 N ATOM 1233 CA LEU A 77 -4.652 8.922 1.188 1.00 0.00 C ATOM 1234 C LEU A 77 -6.038 8.315 1.299 1.00 0.00 C ATOM 1235 O LEU A 77 -6.543 7.705 0.360 1.00 0.00 O ATOM 1236 CB LEU A 77 -3.609 7.948 1.738 1.00 0.00 C ATOM 1237 CG LEU A 77 -3.655 6.548 1.123 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -3.568 6.630 -0.393 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -2.535 5.682 1.679 1.00 0.00 C ATOM 0 H LEU A 77 -3.995 10.195 2.714 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.420 9.111 0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.617 8.369 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.745 7.861 2.816 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.606 6.086 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.602 5.625 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.407 7.212 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.633 7.111 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.585 4.690 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.573 6.138 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.644 5.596 2.760 1.00 0.00 H new ATOM 1251 N ARG A 78 -6.650 8.504 2.459 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.989 7.990 2.708 1.00 0.00 C ATOM 1253 C ARG A 78 -8.980 8.540 1.688 1.00 0.00 C ATOM 1254 O ARG A 78 -10.043 7.961 1.467 1.00 0.00 O ATOM 1255 CB ARG A 78 -8.442 8.348 4.124 1.00 0.00 C ATOM 1256 CG ARG A 78 -9.809 7.789 4.485 1.00 0.00 C ATOM 1257 CD ARG A 78 -10.838 8.894 4.663 1.00 0.00 C ATOM 1258 NE ARG A 78 -12.014 8.434 5.396 1.00 0.00 N ATOM 1259 CZ ARG A 78 -13.176 9.084 5.418 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -13.320 10.222 4.751 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -14.196 8.593 6.109 1.00 0.00 N ATOM 0 H ARG A 78 -6.240 9.010 3.244 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.959 6.905 2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.706 7.975 4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.464 9.433 4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.141 7.105 3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.734 7.210 5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.384 9.730 5.195 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.143 9.266 3.685 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.941 7.563 5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.538 10.603 4.218 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.212 10.716 4.771 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.090 7.718 6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.087 9.090 6.127 1.00 0.00 H new ATOM 1275 N LYS A 79 -8.626 9.663 1.070 1.00 0.00 N ATOM 1276 CA LYS A 79 -9.492 10.287 0.076 1.00 0.00 C ATOM 1277 C LYS A 79 -9.311 9.651 -1.295 1.00 0.00 C ATOM 1278 O LYS A 79 -10.282 9.377 -2.000 1.00 0.00 O ATOM 1279 CB LYS A 79 -9.218 11.789 -0.005 1.00 0.00 C ATOM 1280 CG LYS A 79 -10.457 12.618 -0.307 1.00 0.00 C ATOM 1281 CD LYS A 79 -10.177 13.689 -1.352 1.00 0.00 C ATOM 1282 CE LYS A 79 -10.992 13.464 -2.616 1.00 0.00 C ATOM 1283 NZ LYS A 79 -10.364 14.106 -3.804 1.00 0.00 N ATOM 0 H LYS A 79 -7.750 10.157 1.239 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.524 10.129 0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.789 12.123 0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.471 11.973 -0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.255 11.965 -0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.813 13.088 0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.409 14.671 -0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.115 13.689 -1.598 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.097 12.394 -2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.996 13.864 -2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.106 14.430 -4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.793 14.920 -3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.753 13.418 -4.288 1.00 0.00 H new ATOM 1297 N LYS A 80 -8.063 9.424 -1.662 1.00 0.00 N ATOM 1298 CA LYS A 80 -7.739 8.824 -2.948 1.00 0.00 C ATOM 1299 C LYS A 80 -7.858 7.309 -2.891 1.00 0.00 C ATOM 1300 O LYS A 80 -8.521 6.689 -3.723 1.00 0.00 O ATOM 1301 CB LYS A 80 -6.327 9.225 -3.379 1.00 0.00 C ATOM 1302 CG LYS A 80 -6.261 10.592 -4.042 1.00 0.00 C ATOM 1303 CD LYS A 80 -6.086 11.702 -3.016 1.00 0.00 C ATOM 1304 CE LYS A 80 -7.001 12.880 -3.307 1.00 0.00 C ATOM 1305 NZ LYS A 80 -6.686 13.519 -4.615 1.00 0.00 N ATOM 0 H LYS A 80 -7.251 9.647 -1.086 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.454 9.194 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.674 9.221 -2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.940 8.476 -4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.432 10.615 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.173 10.764 -4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.297 11.314 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.049 12.037 -3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.038 12.543 -3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.907 13.618 -2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.298 14.348 -4.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.690 13.818 -4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.850 12.837 -5.383 1.00 0.00 H new ATOM 1319 N LEU A 81 -7.209 6.726 -1.900 1.00 0.00 N ATOM 1320 CA LEU A 81 -7.224 5.280 -1.708 1.00 0.00 C ATOM 1321 C LEU A 81 -8.605 4.806 -1.257 1.00 0.00 C ATOM 1322 O LEU A 81 -9.285 4.076 -1.978 1.00 0.00 O ATOM 1323 CB LEU A 81 -6.154 4.880 -0.686 1.00 0.00 C ATOM 1324 CG LEU A 81 -6.306 3.489 -0.069 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -6.141 2.411 -1.128 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -5.295 3.301 1.051 1.00 0.00 C ATOM 0 H LEU A 81 -6.659 7.234 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.000 4.798 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.179 4.937 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.155 5.615 0.119 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.309 3.401 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.253 1.429 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.901 2.539 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.151 2.491 -1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.412 2.307 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.286 3.407 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.461 4.054 1.821 1.00 0.00 H new ATOM 1338 N GLY A 82 -9.016 5.228 -0.065 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.317 4.837 0.450 1.00 0.00 C ATOM 1340 C GLY A 82 -10.240 4.226 1.836 1.00 0.00 C ATOM 1341 O GLY A 82 -9.335 4.537 2.611 1.00 0.00 O ATOM 0 H GLY A 82 -8.473 5.832 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.969 5.710 0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.773 4.121 -0.233 1.00 0.00 H new ATOM 1345 N ALA A 83 -11.194 3.353 2.148 1.00 0.00 N ATOM 1346 CA ALA A 83 -11.237 2.693 3.449 1.00 0.00 C ATOM 1347 C ALA A 83 -9.946 1.931 3.730 1.00 0.00 C ATOM 1348 O ALA A 83 -9.616 1.652 4.882 1.00 0.00 O ATOM 1349 CB ALA A 83 -12.433 1.757 3.527 1.00 0.00 C ATOM 0 H ALA A 83 -11.949 3.086 1.516 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.341 3.464 4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.452 1.272 4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.351 2.327 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.354 1.000 2.747 1.00 0.00 H new ATOM 1355 N TYR A 84 -9.217 1.604 2.671 1.00 0.00 N ATOM 1356 CA TYR A 84 -7.961 0.883 2.799 1.00 0.00 C ATOM 1357 C TYR A 84 -6.934 1.741 3.525 1.00 0.00 C ATOM 1358 O TYR A 84 -6.063 1.224 4.223 1.00 0.00 O ATOM 1359 CB TYR A 84 -7.437 0.478 1.420 1.00 0.00 C ATOM 1360 CG TYR A 84 -8.503 -0.091 0.510 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -8.974 -1.386 0.685 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -9.039 0.669 -0.522 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -9.949 -1.908 -0.144 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -10.015 0.154 -1.355 1.00 0.00 C ATOM 1365 CZ TYR A 84 -10.466 -1.135 -1.162 1.00 0.00 C ATOM 1366 OH TYR A 84 -11.437 -1.651 -1.989 1.00 0.00 O ATOM 0 H TYR A 84 -9.477 1.829 1.711 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.135 -0.021 3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.989 1.348 0.941 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.645 -0.261 1.544 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.572 -1.995 1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.688 1.679 -0.676 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.304 -2.917 0.005 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.422 0.758 -2.153 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.694 -0.977 -2.653 1.00 0.00 H new ATOM 1376 N GLY A 85 -7.053 3.058 3.373 1.00 0.00 N ATOM 1377 CA GLY A 85 -6.135 3.961 4.042 1.00 0.00 C ATOM 1378 C GLY A 85 -6.147 3.747 5.538 1.00 0.00 C ATOM 1379 O GLY A 85 -5.136 3.938 6.212 1.00 0.00 O ATOM 0 H GLY A 85 -7.765 3.513 2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.126 3.807 3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.408 4.992 3.818 1.00 0.00 H new ATOM 1383 N SER A 86 -7.298 3.330 6.053 1.00 0.00 N ATOM 1384 CA SER A 86 -7.445 3.062 7.473 1.00 0.00 C ATOM 1385 C SER A 86 -6.725 1.768 7.842 1.00 0.00 C ATOM 1386 O SER A 86 -6.471 1.502 9.017 1.00 0.00 O ATOM 1387 CB SER A 86 -8.926 2.969 7.852 1.00 0.00 C ATOM 1388 OG SER A 86 -9.759 3.289 6.750 1.00 0.00 O ATOM 0 H SER A 86 -8.143 3.171 5.504 1.00 0.00 H new ATOM 0 HA SER A 86 -6.997 3.886 8.029 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.152 1.962 8.201 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.136 3.648 8.679 1.00 0.00 H new ATOM 0 HG SER A 86 -9.933 2.480 6.225 1.00 0.00 H new ATOM 1394 N ARG A 87 -6.392 0.966 6.826 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.694 -0.299 7.045 1.00 0.00 C ATOM 1396 C ARG A 87 -4.521 -0.113 8.003 1.00 0.00 C ATOM 1397 O ARG A 87 -4.183 -1.015 8.768 1.00 0.00 O ATOM 1398 CB ARG A 87 -5.196 -0.869 5.713 1.00 0.00 C ATOM 1399 CG ARG A 87 -4.365 -2.134 5.860 1.00 0.00 C ATOM 1400 CD ARG A 87 -4.118 -2.801 4.516 1.00 0.00 C ATOM 1401 NE ARG A 87 -2.694 -3.005 4.260 1.00 0.00 N ATOM 1402 CZ ARG A 87 -1.875 -2.050 3.828 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -2.333 -0.826 3.597 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -0.592 -2.319 3.627 1.00 0.00 N ATOM 0 H ARG A 87 -6.595 1.172 5.848 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.397 -1.002 7.492 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.054 -1.081 5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.600 -0.111 5.204 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.411 -1.891 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.876 -2.831 6.524 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.633 -3.761 4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.545 -2.187 3.723 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.305 -3.934 4.422 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.319 -0.613 3.751 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.699 -0.098 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.234 -3.258 3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.037 -1.587 3.296 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.912 1.069 7.960 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.781 1.374 8.836 1.00 0.00 C ATOM 1420 C ILE A 88 -3.265 1.579 10.270 1.00 0.00 C ATOM 1421 O ILE A 88 -3.899 2.588 10.580 1.00 0.00 O ATOM 1422 CB ILE A 88 -2.002 2.633 8.375 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -2.146 2.858 6.865 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.531 2.512 8.744 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -1.874 1.622 6.034 1.00 0.00 C ATOM 0 H ILE A 88 -4.179 1.828 7.333 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.102 0.522 8.787 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.430 3.494 8.889 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.156 3.211 6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.461 3.649 6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.002 3.404 8.413 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.434 2.411 9.825 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.105 1.634 8.258 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.996 1.860 4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.855 1.280 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.575 0.835 6.312 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.981 0.609 11.137 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.409 0.680 12.532 1.00 0.00 C ATOM 1439 C VAL A 89 -2.376 1.378 13.411 1.00 0.00 C ATOM 1440 O VAL A 89 -1.304 0.834 13.678 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.681 -0.724 13.102 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.325 -0.632 14.475 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.553 -1.529 12.150 1.00 0.00 C ATOM 0 H VAL A 89 -2.458 -0.233 10.899 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.330 1.264 12.542 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.727 -1.240 13.209 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.508 -1.636 14.859 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.659 -0.100 15.154 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.270 -0.095 14.398 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.734 -2.518 12.571 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.504 -1.016 12.006 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.047 -1.630 11.190 1.00 0.00 H new ATOM 1453 N THR A 90 -2.714 2.579 13.872 1.00 0.00 N ATOM 1454 CA THR A 90 -1.824 3.348 14.735 1.00 0.00 C ATOM 1455 C THR A 90 -2.176 3.125 16.202 1.00 0.00 C ATOM 1456 O THR A 90 -3.309 3.365 16.620 1.00 0.00 O ATOM 1457 CB THR A 90 -1.910 4.838 14.401 1.00 0.00 C ATOM 1458 OG1 THR A 90 -1.251 5.611 15.388 1.00 0.00 O ATOM 1459 CG2 THR A 90 -3.332 5.347 14.295 1.00 0.00 C ATOM 0 H THR A 90 -3.599 3.041 13.662 1.00 0.00 H new ATOM 0 HA THR A 90 -0.804 3.006 14.562 1.00 0.00 H new ATOM 0 HB THR A 90 -1.429 4.944 13.428 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.315 6.561 15.156 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.321 6.410 14.056 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.855 4.804 13.508 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.845 5.194 15.244 1.00 0.00 H new ATOM 1467 N LEU A 91 -1.203 2.662 16.979 1.00 0.00 N ATOM 1468 CA LEU A 91 -1.419 2.404 18.399 1.00 0.00 C ATOM 1469 C LEU A 91 -0.348 3.081 19.249 1.00 0.00 C ATOM 1470 O LEU A 91 0.824 3.117 18.876 1.00 0.00 O ATOM 1471 CB LEU A 91 -1.427 0.897 18.667 1.00 0.00 C ATOM 1472 CG LEU A 91 -2.803 0.300 18.964 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -3.588 0.103 17.676 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -2.662 -1.018 19.711 1.00 0.00 C ATOM 0 H LEU A 91 -0.259 2.458 16.651 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.387 2.821 18.675 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.006 0.387 17.801 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.768 0.690 19.510 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.352 0.997 19.597 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.565 -0.323 17.907 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.719 1.064 17.179 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.043 -0.574 17.018 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.651 -1.429 19.914 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.095 -1.722 19.103 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.139 -0.849 20.652 1.00 0.00 H new ATOM 1486 N ARG A 92 -0.760 3.610 20.398 1.00 0.00 N ATOM 1487 CA ARG A 92 0.165 4.279 21.305 1.00 0.00 C ATOM 1488 C ARG A 92 0.842 3.266 22.222 1.00 0.00 C ATOM 1489 O ARG A 92 0.576 3.221 23.424 1.00 0.00 O ATOM 1490 CB ARG A 92 -0.572 5.331 22.137 1.00 0.00 C ATOM 1491 CG ARG A 92 -1.091 6.502 21.317 1.00 0.00 C ATOM 1492 CD ARG A 92 0.024 7.169 20.526 1.00 0.00 C ATOM 1493 NE ARG A 92 0.059 8.614 20.743 1.00 0.00 N ATOM 1494 CZ ARG A 92 0.624 9.191 21.801 1.00 0.00 C ATOM 1495 NH1 ARG A 92 1.201 8.452 22.741 1.00 0.00 N ATOM 1496 NH2 ARG A 92 0.611 10.512 21.921 1.00 0.00 N ATOM 0 H ARG A 92 -1.727 3.588 20.722 1.00 0.00 H new ATOM 0 HA ARG A 92 0.931 4.776 20.709 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.410 4.856 22.648 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.100 5.708 22.908 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.865 6.153 20.633 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.556 7.233 21.979 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.982 6.736 20.813 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -0.112 6.965 19.464 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.375 9.215 20.043 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.213 7.436 22.655 1.00 0.00 H new ATOM 0 HH12 ARG A 92 1.632 8.901 23.549 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.168 11.085 21.203 1.00 0.00 H new ATOM 0 HH22 ARG A 92 1.044 10.955 22.732 1.00 0.00 H new ATOM 1510 N GLY A 93 1.717 2.452 21.642 1.00 0.00 N ATOM 1511 CA GLY A 93 2.422 1.444 22.410 1.00 0.00 C ATOM 1512 C GLY A 93 3.093 0.419 21.519 1.00 0.00 C ATOM 1513 O GLY A 93 4.228 0.013 21.770 1.00 0.00 O ATOM 0 H GLY A 93 1.951 2.473 20.649 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.172 1.925 23.038 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.722 0.941 23.078 1.00 0.00 H new ATOM 1517 N VAL A 94 2.390 0.007 20.468 1.00 0.00 N ATOM 1518 CA VAL A 94 2.922 -0.969 19.525 1.00 0.00 C ATOM 1519 C VAL A 94 3.545 -0.267 18.325 1.00 0.00 C ATOM 1520 O VAL A 94 4.599 -0.669 17.833 1.00 0.00 O ATOM 1521 CB VAL A 94 1.831 -1.938 19.021 1.00 0.00 C ATOM 1522 CG1 VAL A 94 2.456 -3.227 18.511 1.00 0.00 C ATOM 1523 CG2 VAL A 94 0.814 -2.230 20.115 1.00 0.00 C ATOM 0 H VAL A 94 1.449 0.335 20.249 1.00 0.00 H new ATOM 0 HA VAL A 94 3.679 -1.543 20.059 1.00 0.00 H new ATOM 0 HB VAL A 94 1.307 -1.458 18.194 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.672 -3.898 18.160 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.135 -3.002 17.689 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.010 -3.707 19.318 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.056 -2.915 19.734 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.318 -2.684 20.968 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.338 -1.300 20.427 1.00 0.00 H new ATOM 1533 N GLY A 95 2.882 0.788 17.862 1.00 0.00 N ATOM 1534 CA GLY A 95 3.378 1.537 16.724 1.00 0.00 C ATOM 1535 C GLY A 95 2.373 1.606 15.593 1.00 0.00 C ATOM 1536 O GLY A 95 1.269 2.121 15.765 1.00 0.00 O ATOM 0 H GLY A 95 2.009 1.137 18.256 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.633 2.548 17.042 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.297 1.076 16.362 1.00 0.00 H new ATOM 1540 N TYR A 96 2.757 1.089 14.432 1.00 0.00 N ATOM 1541 CA TYR A 96 1.881 1.097 13.268 1.00 0.00 C ATOM 1542 C TYR A 96 1.702 -0.313 12.713 1.00 0.00 C ATOM 1543 O TYR A 96 2.623 -0.883 12.129 1.00 0.00 O ATOM 1544 CB TYR A 96 2.448 2.022 12.184 1.00 0.00 C ATOM 1545 CG TYR A 96 1.483 3.102 11.730 1.00 0.00 C ATOM 1546 CD1 TYR A 96 0.108 2.899 11.764 1.00 0.00 C ATOM 1547 CD2 TYR A 96 1.951 4.326 11.271 1.00 0.00 C ATOM 1548 CE1 TYR A 96 -0.770 3.884 11.354 1.00 0.00 C ATOM 1549 CE2 TYR A 96 1.079 5.317 10.860 1.00 0.00 C ATOM 1550 CZ TYR A 96 -0.280 5.091 10.904 1.00 0.00 C ATOM 1551 OH TYR A 96 -1.151 6.074 10.495 1.00 0.00 O ATOM 0 H TYR A 96 3.668 0.660 14.272 1.00 0.00 H new ATOM 0 HA TYR A 96 0.905 1.470 13.578 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.355 2.494 12.561 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.737 1.421 11.322 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.281 1.955 12.117 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.015 4.507 11.234 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.835 3.709 11.386 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.461 6.263 10.506 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.644 6.862 10.209 1.00 0.00 H new ATOM 1561 N LEU A 97 0.510 -0.871 12.903 1.00 0.00 N ATOM 1562 CA LEU A 97 0.211 -2.216 12.423 1.00 0.00 C ATOM 1563 C LEU A 97 -0.804 -2.175 11.284 1.00 0.00 C ATOM 1564 O LEU A 97 -2.009 -2.266 11.509 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.317 -3.083 13.571 1.00 0.00 C ATOM 1566 CG LEU A 97 -0.601 -4.550 13.221 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -2.028 -4.714 12.723 1.00 0.00 C ATOM 1568 CD2 LEU A 97 0.390 -5.067 12.186 1.00 0.00 C ATOM 0 H LEU A 97 -0.263 -0.413 13.385 1.00 0.00 H new ATOM 0 HA LEU A 97 1.133 -2.655 12.043 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.408 -3.057 14.385 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.236 -2.634 13.948 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.481 -5.142 14.128 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.210 -5.761 12.480 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.723 -4.395 13.500 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.175 -4.104 11.832 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.166 -6.109 11.956 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.312 -4.470 11.277 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.402 -4.993 12.583 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.308 -2.038 10.061 1.00 0.00 N ATOM 1581 CA PHE A 98 -1.176 -1.988 8.890 1.00 0.00 C ATOM 1582 C PHE A 98 -1.592 -3.394 8.470 1.00 0.00 C ATOM 1583 O PHE A 98 -1.019 -3.975 7.551 1.00 0.00 O ATOM 1584 CB PHE A 98 -0.481 -1.270 7.727 1.00 0.00 C ATOM 1585 CG PHE A 98 0.912 -1.763 7.444 1.00 0.00 C ATOM 1586 CD1 PHE A 98 1.999 -1.233 8.120 1.00 0.00 C ATOM 1587 CD2 PHE A 98 1.134 -2.752 6.498 1.00 0.00 C ATOM 1588 CE1 PHE A 98 3.280 -1.681 7.860 1.00 0.00 C ATOM 1589 CE2 PHE A 98 2.414 -3.203 6.234 1.00 0.00 C ATOM 1590 CZ PHE A 98 3.488 -2.667 6.916 1.00 0.00 C ATOM 0 H PHE A 98 0.688 -1.960 9.854 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.071 -1.425 9.156 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.086 -1.388 6.828 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.440 -0.203 7.946 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.843 -0.461 8.859 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.298 -3.175 5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.118 -1.260 8.395 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.574 -3.974 5.495 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.489 -3.018 6.712 1.00 0.00 H new ATOM 1600 N SER A 99 -2.592 -3.939 9.155 1.00 0.00 N ATOM 1601 CA SER A 99 -3.078 -5.282 8.854 1.00 0.00 C ATOM 1602 C SER A 99 -4.583 -5.286 8.606 1.00 0.00 C ATOM 1603 O SER A 99 -5.352 -4.717 9.381 1.00 0.00 O ATOM 1604 CB SER A 99 -2.738 -6.237 9.999 1.00 0.00 C ATOM 1605 OG SER A 99 -2.520 -7.553 9.519 1.00 0.00 O ATOM 0 H SER A 99 -3.081 -3.474 9.920 1.00 0.00 H new ATOM 0 HA SER A 99 -2.582 -5.619 7.944 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.847 -5.884 10.519 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.550 -6.242 10.726 1.00 0.00 H new ATOM 0 HG SER A 99 -2.303 -8.143 10.270 1.00 0.00 H new