USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=20 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 90 THR OG1 : rot -98:sc= 0.869 USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 49 CYS SG : rot -119:sc= 0.209 USER MOD Set 2.2: A 53 HIS :FLIP no HD1:sc= 0.213 F(o=-2.6,f=0.42) USER MOD Set 3.1: A 35 SER OG : rot -145:sc= -3.65! USER MOD Set 3.2: A 39 LYS NZ :NH3+ -149:sc= 1.16 (180deg=0.129) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.142 F(o=-1.4,f=-0.14) USER MOD Single : A 15 TYR OH : rot 156:sc= 0.49 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 180:sc= -0.729 USER MOD Single : A 27 SER OG : rot -2:sc= 0.0968 USER MOD Single : A 29 HIS : no HD1:sc= 0.0111 K(o=0.011,f=-1.6!) USER MOD Single : A 31 THR OG1 : rot 129:sc= 0.211 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.44 K(o=-1.4,f=-8.4!) USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= -0.48 (180deg=-0.483) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.45) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.495 K(o=-0.5,f=-1.4) USER MOD Single : A 76 SER OG : rot -11:sc= 0.386 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -15:sc= -2.44! USER MOD Single : A 86 SER OG : rot 180:sc= -0.712 USER MOD Single : A 99 SER OG : rot 180:sc=-0.00302 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 1.367 -5.813 -9.508 1.00 0.00 N ATOM 63 CA GLU A 5 0.668 -6.167 -10.737 1.00 0.00 C ATOM 64 C GLU A 5 -0.665 -5.441 -10.839 1.00 0.00 C ATOM 65 O GLU A 5 -0.976 -4.822 -11.857 1.00 0.00 O ATOM 66 CB GLU A 5 0.449 -7.684 -10.827 1.00 0.00 C ATOM 67 CG GLU A 5 0.613 -8.425 -9.507 1.00 0.00 C ATOM 68 CD GLU A 5 0.094 -9.847 -9.573 1.00 0.00 C ATOM 69 OE1 GLU A 5 0.834 -10.727 -10.060 1.00 0.00 O ATOM 70 OE2 GLU A 5 -1.053 -10.082 -9.137 1.00 0.00 O ATOM 0 HA GLU A 5 1.296 -5.855 -11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.553 -7.871 -11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.151 -8.097 -11.551 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.667 -8.439 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.084 -7.884 -8.722 1.00 0.00 H new ATOM 77 N SER A 6 -1.444 -5.524 -9.776 1.00 0.00 N ATOM 78 CA SER A 6 -2.752 -4.879 -9.729 1.00 0.00 C ATOM 79 C SER A 6 -3.333 -4.926 -8.319 1.00 0.00 C ATOM 80 O SER A 6 -2.887 -5.708 -7.480 1.00 0.00 O ATOM 81 CB SER A 6 -3.710 -5.552 -10.714 1.00 0.00 C ATOM 82 OG SER A 6 -4.370 -4.592 -11.521 1.00 0.00 O ATOM 0 H SER A 6 -1.196 -6.033 -8.928 1.00 0.00 H new ATOM 0 HA SER A 6 -2.625 -3.834 -10.013 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.157 -6.246 -11.347 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.447 -6.139 -10.166 1.00 0.00 H new ATOM 0 HG SER A 6 -4.975 -5.048 -12.143 1.00 0.00 H new ATOM 88 N ILE A 7 -4.332 -4.085 -8.065 1.00 0.00 N ATOM 89 CA ILE A 7 -4.972 -4.035 -6.757 1.00 0.00 C ATOM 90 C ILE A 7 -6.489 -3.941 -6.894 1.00 0.00 C ATOM 91 O ILE A 7 -7.089 -2.906 -6.603 1.00 0.00 O ATOM 92 CB ILE A 7 -4.462 -2.839 -5.926 1.00 0.00 C ATOM 93 CG1 ILE A 7 -2.934 -2.851 -5.856 1.00 0.00 C ATOM 94 CG2 ILE A 7 -5.061 -2.867 -4.527 1.00 0.00 C ATOM 95 CD1 ILE A 7 -2.336 -1.514 -5.477 1.00 0.00 C ATOM 0 H ILE A 7 -4.714 -3.430 -8.748 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.714 -4.959 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.778 -1.918 -6.416 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.617 -3.600 -5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.536 -3.157 -6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.690 -2.016 -3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.147 -2.812 -4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.775 -3.792 -4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.250 -1.597 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.622 -0.765 -6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.705 -1.216 -4.496 1.00 0.00 H new ATOM 107 N ARG A 8 -7.105 -5.032 -7.339 1.00 0.00 N ATOM 108 CA ARG A 8 -8.552 -5.074 -7.513 1.00 0.00 C ATOM 109 C ARG A 8 -9.242 -5.445 -6.205 1.00 0.00 C ATOM 110 O ARG A 8 -9.075 -6.554 -5.697 1.00 0.00 O ATOM 111 CB ARG A 8 -8.927 -6.078 -8.605 1.00 0.00 C ATOM 112 CG ARG A 8 -10.295 -5.826 -9.218 1.00 0.00 C ATOM 113 CD ARG A 8 -10.316 -6.169 -10.700 1.00 0.00 C ATOM 114 NE ARG A 8 -11.247 -7.255 -10.996 1.00 0.00 N ATOM 115 CZ ARG A 8 -12.566 -7.162 -10.848 1.00 0.00 C ATOM 116 NH1 ARG A 8 -13.114 -6.035 -10.410 1.00 0.00 N ATOM 117 NH2 ARG A 8 -13.341 -8.198 -11.140 1.00 0.00 N ATOM 0 H ARG A 8 -6.625 -5.898 -7.585 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.888 -4.082 -7.813 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.174 -6.045 -9.392 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.906 -7.084 -8.185 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.044 -6.421 -8.695 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.568 -4.780 -9.082 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.596 -5.285 -11.273 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.314 -6.453 -11.021 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.863 -8.137 -11.336 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.523 -5.234 -10.185 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.126 -5.970 -10.299 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.926 -9.066 -11.478 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.352 -8.127 -11.026 1.00 0.00 H new ATOM 131 N PHE A 9 -10.013 -4.510 -5.663 1.00 0.00 N ATOM 132 CA PHE A 9 -10.724 -4.740 -4.411 1.00 0.00 C ATOM 133 C PHE A 9 -12.183 -4.318 -4.529 1.00 0.00 C ATOM 134 O PHE A 9 -12.502 -3.129 -4.496 1.00 0.00 O ATOM 135 CB PHE A 9 -10.044 -3.974 -3.275 1.00 0.00 C ATOM 136 CG PHE A 9 -10.590 -4.296 -1.913 1.00 0.00 C ATOM 137 CD1 PHE A 9 -11.871 -3.907 -1.554 1.00 0.00 C ATOM 138 CD2 PHE A 9 -9.819 -4.985 -0.991 1.00 0.00 C ATOM 139 CE1 PHE A 9 -12.373 -4.201 -0.301 1.00 0.00 C ATOM 140 CE2 PHE A 9 -10.315 -5.281 0.264 1.00 0.00 C ATOM 141 CZ PHE A 9 -11.594 -4.888 0.610 1.00 0.00 C ATOM 0 H PHE A 9 -10.162 -3.587 -6.070 1.00 0.00 H new ATOM 0 HA PHE A 9 -10.695 -5.807 -4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.977 -4.194 -3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.151 -2.904 -3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -12.483 -3.368 -2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.819 -5.294 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -13.373 -3.894 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.704 -5.819 0.974 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.984 -5.118 1.591 1.00 0.00 H new ATOM 151 N GLY A 10 -13.067 -5.301 -4.666 1.00 0.00 N ATOM 152 CA GLY A 10 -14.483 -5.011 -4.788 1.00 0.00 C ATOM 153 C GLY A 10 -14.795 -4.141 -5.990 1.00 0.00 C ATOM 154 O GLY A 10 -14.073 -4.176 -6.987 1.00 0.00 O ATOM 0 H GLY A 10 -12.828 -6.292 -4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -15.037 -5.946 -4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.828 -4.512 -3.883 1.00 0.00 H new ATOM 158 N PRO A 11 -15.873 -3.343 -5.927 1.00 0.00 N ATOM 159 CA PRO A 11 -16.269 -2.461 -7.031 1.00 0.00 C ATOM 160 C PRO A 11 -15.154 -1.501 -7.439 1.00 0.00 C ATOM 161 O PRO A 11 -15.157 -0.971 -8.550 1.00 0.00 O ATOM 162 CB PRO A 11 -17.460 -1.682 -6.463 1.00 0.00 C ATOM 163 CG PRO A 11 -17.984 -2.533 -5.358 1.00 0.00 C ATOM 164 CD PRO A 11 -16.791 -3.237 -4.779 1.00 0.00 C ATOM 0 HA PRO A 11 -16.504 -3.026 -7.933 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.152 -0.703 -6.096 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -18.220 -1.512 -7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -18.485 -1.927 -4.603 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -18.717 -3.249 -5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -16.348 -2.671 -3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.055 -4.217 -4.383 1.00 0.00 H new ATOM 172 N ASN A 12 -14.205 -1.277 -6.535 1.00 0.00 N ATOM 173 CA ASN A 12 -13.090 -0.376 -6.807 1.00 0.00 C ATOM 174 C ASN A 12 -11.870 -1.142 -7.309 1.00 0.00 C ATOM 175 O ASN A 12 -11.597 -2.258 -6.867 1.00 0.00 O ATOM 176 CB ASN A 12 -12.724 0.411 -5.548 1.00 0.00 C ATOM 177 CG ASN A 12 -13.856 1.300 -5.072 1.00 0.00 C ATOM 178 OD1 ASN A 12 -14.332 2.174 -5.952 1.00 0.00 O flip ATOM 179 ND2 ASN A 12 -14.298 1.202 -3.928 1.00 0.00 N flip ATOM 0 H ASN A 12 -14.186 -1.706 -5.610 1.00 0.00 H new ATOM 0 HA ASN A 12 -13.405 0.317 -7.587 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.454 -0.285 -4.754 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.845 1.023 -5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.902 0.516 -3.285 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.061 1.807 -3.622 1.00 0.00 H new ATOM 186 N VAL A 13 -11.136 -0.527 -8.231 1.00 0.00 N ATOM 187 CA VAL A 13 -9.937 -1.137 -8.794 1.00 0.00 C ATOM 188 C VAL A 13 -8.761 -0.170 -8.725 1.00 0.00 C ATOM 189 O VAL A 13 -8.925 1.032 -8.929 1.00 0.00 O ATOM 190 CB VAL A 13 -10.155 -1.561 -10.259 1.00 0.00 C ATOM 191 CG1 VAL A 13 -8.982 -2.394 -10.753 1.00 0.00 C ATOM 192 CG2 VAL A 13 -11.461 -2.326 -10.405 1.00 0.00 C ATOM 0 H VAL A 13 -11.352 0.397 -8.605 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.718 -2.025 -8.201 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.217 -0.663 -10.873 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.153 -2.685 -11.789 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.066 -1.807 -10.687 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.885 -3.288 -10.137 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.598 -2.617 -11.446 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.432 -3.218 -9.780 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.291 -1.692 -10.094 1.00 0.00 H new ATOM 202 N PHE A 14 -7.576 -0.695 -8.432 1.00 0.00 N ATOM 203 CA PHE A 14 -6.382 0.136 -8.334 1.00 0.00 C ATOM 204 C PHE A 14 -5.265 -0.401 -9.221 1.00 0.00 C ATOM 205 O PHE A 14 -4.796 -1.524 -9.037 1.00 0.00 O ATOM 206 CB PHE A 14 -5.909 0.212 -6.881 1.00 0.00 C ATOM 207 CG PHE A 14 -6.393 1.434 -6.154 1.00 0.00 C ATOM 208 CD1 PHE A 14 -7.714 1.539 -5.751 1.00 0.00 C ATOM 209 CD2 PHE A 14 -5.526 2.478 -5.874 1.00 0.00 C ATOM 210 CE1 PHE A 14 -8.162 2.661 -5.081 1.00 0.00 C ATOM 211 CE2 PHE A 14 -5.968 3.603 -5.204 1.00 0.00 C ATOM 212 CZ PHE A 14 -7.288 3.695 -4.808 1.00 0.00 C ATOM 0 H PHE A 14 -7.417 -1.688 -8.259 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.638 1.138 -8.679 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.251 -0.676 -6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.819 0.195 -6.861 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.402 0.734 -5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.493 2.412 -6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.194 2.730 -4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.282 4.409 -4.990 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.636 4.574 -4.286 1.00 0.00 H new ATOM 222 N TYR A 15 -4.842 0.412 -10.183 1.00 0.00 N ATOM 223 CA TYR A 15 -3.778 0.024 -11.100 1.00 0.00 C ATOM 224 C TYR A 15 -2.433 0.564 -10.626 1.00 0.00 C ATOM 225 O TYR A 15 -2.251 1.773 -10.490 1.00 0.00 O ATOM 226 CB TYR A 15 -4.078 0.538 -12.509 1.00 0.00 C ATOM 227 CG TYR A 15 -5.201 -0.204 -13.199 1.00 0.00 C ATOM 228 CD1 TYR A 15 -5.067 -1.544 -13.540 1.00 0.00 C ATOM 229 CD2 TYR A 15 -6.395 0.436 -13.508 1.00 0.00 C ATOM 230 CE1 TYR A 15 -6.091 -2.225 -14.170 1.00 0.00 C ATOM 231 CE2 TYR A 15 -7.424 -0.239 -14.137 1.00 0.00 C ATOM 232 CZ TYR A 15 -7.267 -1.568 -14.466 1.00 0.00 C ATOM 233 OH TYR A 15 -8.289 -2.244 -15.093 1.00 0.00 O ATOM 0 H TYR A 15 -5.221 1.345 -10.348 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.728 -1.065 -11.122 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.333 1.596 -12.454 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.176 0.459 -13.115 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.148 -2.062 -13.309 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.521 1.478 -13.253 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.971 -3.267 -14.429 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.346 0.272 -14.369 1.00 0.00 H new ATOM 0 HH TYR A 15 -9.142 -1.806 -14.893 1.00 0.00 H new ATOM 243 N VAL A 16 -1.494 -0.341 -10.373 1.00 0.00 N ATOM 244 CA VAL A 16 -0.166 0.045 -9.911 1.00 0.00 C ATOM 245 C VAL A 16 0.590 0.838 -10.976 1.00 0.00 C ATOM 246 O VAL A 16 1.597 1.482 -10.681 1.00 0.00 O ATOM 247 CB VAL A 16 0.672 -1.186 -9.517 1.00 0.00 C ATOM 248 CG1 VAL A 16 0.218 -1.732 -8.172 1.00 0.00 C ATOM 249 CG2 VAL A 16 0.589 -2.259 -10.595 1.00 0.00 C ATOM 0 H VAL A 16 -1.628 -1.347 -10.480 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.314 0.675 -9.034 1.00 0.00 H new ATOM 0 HB VAL A 16 1.714 -0.879 -9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.821 -2.601 -7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.338 -0.964 -7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.831 -2.023 -8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.188 -3.120 -10.298 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.449 -2.566 -10.724 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.969 -1.860 -11.535 1.00 0.00 H new ATOM 259 N LEU A 17 0.105 0.785 -12.214 1.00 0.00 N ATOM 260 CA LEU A 17 0.746 1.497 -13.314 1.00 0.00 C ATOM 261 C LEU A 17 -0.035 2.754 -13.687 1.00 0.00 C ATOM 262 O LEU A 17 0.548 3.814 -13.914 1.00 0.00 O ATOM 263 CB LEU A 17 0.872 0.582 -14.534 1.00 0.00 C ATOM 264 CG LEU A 17 1.655 -0.711 -14.295 1.00 0.00 C ATOM 265 CD1 LEU A 17 0.996 -1.877 -15.016 1.00 0.00 C ATOM 266 CD2 LEU A 17 3.099 -0.550 -14.747 1.00 0.00 C ATOM 0 H LEU A 17 -0.727 0.258 -12.479 1.00 0.00 H new ATOM 0 HA LEU A 17 1.741 1.797 -12.985 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.129 0.324 -14.881 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.355 1.138 -15.338 1.00 0.00 H new ATOM 0 HG LEU A 17 1.650 -0.923 -13.226 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.567 -2.787 -14.834 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.021 -2.006 -14.645 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.968 -1.674 -16.087 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.641 -1.479 -14.570 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.123 -0.313 -15.811 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.568 0.257 -14.185 1.00 0.00 H new ATOM 278 N LYS A 18 -1.357 2.629 -13.753 1.00 0.00 N ATOM 279 CA LYS A 18 -2.214 3.755 -14.105 1.00 0.00 C ATOM 280 C LYS A 18 -2.495 4.634 -12.889 1.00 0.00 C ATOM 281 O LYS A 18 -2.601 5.854 -13.006 1.00 0.00 O ATOM 282 CB LYS A 18 -3.529 3.253 -14.702 1.00 0.00 C ATOM 283 CG LYS A 18 -3.456 2.996 -16.198 1.00 0.00 C ATOM 284 CD LYS A 18 -4.826 3.092 -16.849 1.00 0.00 C ATOM 285 CE LYS A 18 -4.755 3.795 -18.196 1.00 0.00 C ATOM 286 NZ LYS A 18 -4.140 2.933 -19.244 1.00 0.00 N ATOM 0 H LYS A 18 -1.857 1.760 -13.567 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.690 4.357 -14.848 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.820 2.332 -14.197 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.312 3.986 -14.505 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.782 3.718 -16.659 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.035 2.007 -16.378 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.238 2.092 -16.981 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.506 3.633 -16.191 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.759 4.084 -18.507 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.176 4.713 -18.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.111 3.450 -20.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.173 2.678 -18.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.707 2.068 -19.359 1.00 0.00 H new ATOM 300 N LEU A 19 -2.615 4.006 -11.724 1.00 0.00 N ATOM 301 CA LEU A 19 -2.885 4.731 -10.487 1.00 0.00 C ATOM 302 C LEU A 19 -4.251 5.408 -10.540 1.00 0.00 C ATOM 303 O LEU A 19 -4.405 6.554 -10.117 1.00 0.00 O ATOM 304 CB LEU A 19 -1.793 5.772 -10.232 1.00 0.00 C ATOM 305 CG LEU A 19 -0.367 5.219 -10.200 1.00 0.00 C ATOM 306 CD1 LEU A 19 0.636 6.313 -10.529 1.00 0.00 C ATOM 307 CD2 LEU A 19 -0.065 4.607 -8.841 1.00 0.00 C ATOM 0 H LEU A 19 -2.530 2.996 -11.610 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.889 4.013 -9.667 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.853 6.536 -11.007 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.997 6.265 -9.281 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.282 4.438 -10.955 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.645 5.902 -10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.432 6.707 -11.525 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.552 7.116 -9.797 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.953 4.218 -8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.167 5.369 -8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.765 3.795 -8.644 1.00 0.00 H new ATOM 319 N THR A 20 -5.240 4.689 -11.060 1.00 0.00 N ATOM 320 CA THR A 20 -6.595 5.217 -11.167 1.00 0.00 C ATOM 321 C THR A 20 -7.582 4.334 -10.412 1.00 0.00 C ATOM 322 O THR A 20 -7.435 3.112 -10.378 1.00 0.00 O ATOM 323 CB THR A 20 -7.009 5.324 -12.636 1.00 0.00 C ATOM 324 OG1 THR A 20 -6.018 6.000 -13.389 1.00 0.00 O ATOM 325 CG2 THR A 20 -8.318 6.056 -12.836 1.00 0.00 C ATOM 0 H THR A 20 -5.129 3.739 -11.414 1.00 0.00 H new ATOM 0 HA THR A 20 -6.608 6.211 -10.720 1.00 0.00 H new ATOM 0 HB THR A 20 -7.130 4.296 -12.978 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.301 6.057 -14.326 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.553 6.097 -13.900 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.113 5.530 -12.308 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.232 7.070 -12.445 1.00 0.00 H new ATOM 333 N VAL A 21 -8.587 4.958 -9.807 1.00 0.00 N ATOM 334 CA VAL A 21 -9.596 4.225 -9.053 1.00 0.00 C ATOM 335 C VAL A 21 -10.895 4.108 -9.843 1.00 0.00 C ATOM 336 O VAL A 21 -11.573 5.104 -10.094 1.00 0.00 O ATOM 337 CB VAL A 21 -9.890 4.897 -7.699 1.00 0.00 C ATOM 338 CG1 VAL A 21 -10.741 3.989 -6.825 1.00 0.00 C ATOM 339 CG2 VAL A 21 -8.594 5.263 -6.992 1.00 0.00 C ATOM 0 H VAL A 21 -8.724 5.969 -9.824 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.191 3.229 -8.873 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.449 5.814 -7.884 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.938 4.481 -5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.685 3.780 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.210 3.054 -6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.822 5.737 -6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.007 4.361 -6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.023 5.954 -7.613 1.00 0.00 H new ATOM 349 N GLU A 22 -11.237 2.884 -10.232 1.00 0.00 N ATOM 350 CA GLU A 22 -12.455 2.635 -10.994 1.00 0.00 C ATOM 351 C GLU A 22 -13.675 2.624 -10.078 1.00 0.00 C ATOM 352 O GLU A 22 -14.204 1.563 -9.744 1.00 0.00 O ATOM 353 CB GLU A 22 -12.351 1.305 -11.742 1.00 0.00 C ATOM 354 CG GLU A 22 -11.365 1.333 -12.898 1.00 0.00 C ATOM 355 CD GLU A 22 -11.502 0.131 -13.811 1.00 0.00 C ATOM 356 OE1 GLU A 22 -12.648 -0.217 -14.167 1.00 0.00 O ATOM 357 OE2 GLU A 22 -10.464 -0.463 -14.171 1.00 0.00 O ATOM 0 H GLU A 22 -10.687 2.049 -10.032 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.573 3.441 -11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.054 0.525 -11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.336 1.033 -12.122 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.516 2.244 -13.478 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.350 1.371 -12.504 1.00 0.00 H new ATOM 364 N THR A 23 -14.117 3.810 -9.675 1.00 0.00 N ATOM 365 CA THR A 23 -15.273 3.937 -8.799 1.00 0.00 C ATOM 366 C THR A 23 -16.572 3.744 -9.580 1.00 0.00 C ATOM 367 O THR A 23 -16.806 4.418 -10.584 1.00 0.00 O ATOM 368 CB THR A 23 -15.273 5.307 -8.117 1.00 0.00 C ATOM 369 OG1 THR A 23 -14.881 6.319 -9.027 1.00 0.00 O ATOM 370 CG2 THR A 23 -14.348 5.380 -6.922 1.00 0.00 C ATOM 0 H THR A 23 -13.691 4.697 -9.942 1.00 0.00 H new ATOM 0 HA THR A 23 -15.209 3.159 -8.038 1.00 0.00 H new ATOM 0 HB THR A 23 -16.296 5.460 -7.773 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.889 7.188 -8.573 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.396 6.378 -6.485 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.655 4.644 -6.179 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.326 5.171 -7.239 1.00 0.00 H new ATOM 378 N PRO A 24 -17.440 2.819 -9.128 1.00 0.00 N ATOM 379 CA PRO A 24 -18.717 2.542 -9.788 1.00 0.00 C ATOM 380 C PRO A 24 -19.452 3.815 -10.201 1.00 0.00 C ATOM 381 O PRO A 24 -20.179 3.830 -11.194 1.00 0.00 O ATOM 382 CB PRO A 24 -19.502 1.799 -8.711 1.00 0.00 C ATOM 383 CG PRO A 24 -18.469 1.099 -7.903 1.00 0.00 C ATOM 384 CD PRO A 24 -17.243 1.970 -7.938 1.00 0.00 C ATOM 0 HA PRO A 24 -18.588 1.982 -10.714 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -20.083 2.488 -8.099 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -20.206 1.093 -9.151 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.811 0.951 -6.879 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.257 0.112 -8.314 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.153 2.569 -7.032 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.333 1.375 -8.019 1.00 0.00 H new ATOM 392 N GLU A 25 -19.256 4.881 -9.432 1.00 0.00 N ATOM 393 CA GLU A 25 -19.898 6.159 -9.718 1.00 0.00 C ATOM 394 C GLU A 25 -19.143 6.915 -10.807 1.00 0.00 C ATOM 395 O GLU A 25 -19.750 7.499 -11.706 1.00 0.00 O ATOM 396 CB GLU A 25 -19.977 7.009 -8.448 1.00 0.00 C ATOM 397 CG GLU A 25 -21.369 7.067 -7.840 1.00 0.00 C ATOM 398 CD GLU A 25 -21.552 8.251 -6.911 1.00 0.00 C ATOM 399 OE1 GLU A 25 -21.353 9.398 -7.365 1.00 0.00 O ATOM 400 OE2 GLU A 25 -21.893 8.032 -5.730 1.00 0.00 O ATOM 0 H GLU A 25 -18.658 4.885 -8.606 1.00 0.00 H new ATOM 0 HA GLU A 25 -20.908 5.959 -10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -19.283 6.608 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -19.648 8.022 -8.678 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -22.108 7.120 -8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -21.560 6.146 -7.290 1.00 0.00 H new ATOM 407 N GLY A 26 -17.817 6.899 -10.721 1.00 0.00 N ATOM 408 CA GLY A 26 -17.001 7.586 -11.705 1.00 0.00 C ATOM 409 C GLY A 26 -15.550 7.148 -11.662 1.00 0.00 C ATOM 410 O GLY A 26 -15.235 5.994 -11.950 1.00 0.00 O ATOM 0 H GLY A 26 -17.293 6.422 -9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -17.404 7.400 -12.701 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -17.058 8.661 -11.533 1.00 0.00 H new ATOM 414 N SER A 27 -14.665 8.073 -11.303 1.00 0.00 N ATOM 415 CA SER A 27 -13.240 7.776 -11.224 1.00 0.00 C ATOM 416 C SER A 27 -12.534 8.746 -10.281 1.00 0.00 C ATOM 417 O SER A 27 -12.948 9.897 -10.137 1.00 0.00 O ATOM 418 CB SER A 27 -12.605 7.843 -12.614 1.00 0.00 C ATOM 419 OG SER A 27 -11.652 6.810 -12.791 1.00 0.00 O ATOM 0 H SER A 27 -14.910 9.034 -11.063 1.00 0.00 H new ATOM 0 HA SER A 27 -13.126 6.766 -10.830 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.380 7.761 -13.376 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.125 8.812 -12.751 1.00 0.00 H new ATOM 0 HG SER A 27 -11.580 6.287 -11.966 1.00 0.00 H new ATOM 425 N VAL A 28 -11.470 8.274 -9.640 1.00 0.00 N ATOM 426 CA VAL A 28 -10.709 9.100 -8.709 1.00 0.00 C ATOM 427 C VAL A 28 -9.214 9.037 -9.009 1.00 0.00 C ATOM 428 O VAL A 28 -8.671 7.968 -9.289 1.00 0.00 O ATOM 429 CB VAL A 28 -10.948 8.666 -7.250 1.00 0.00 C ATOM 430 CG1 VAL A 28 -10.260 9.621 -6.286 1.00 0.00 C ATOM 431 CG2 VAL A 28 -12.438 8.580 -6.953 1.00 0.00 C ATOM 0 H VAL A 28 -11.115 7.324 -9.748 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.058 10.125 -8.838 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.516 7.675 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.441 9.297 -5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.188 9.625 -6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.658 10.626 -6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.585 8.272 -5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.897 9.556 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.900 7.850 -7.618 1.00 0.00 H new ATOM 441 N HIS A 29 -8.555 10.190 -8.945 1.00 0.00 N ATOM 442 CA HIS A 29 -7.121 10.269 -9.205 1.00 0.00 C ATOM 443 C HIS A 29 -6.345 10.441 -7.903 1.00 0.00 C ATOM 444 O HIS A 29 -6.932 10.673 -6.846 1.00 0.00 O ATOM 445 CB HIS A 29 -6.814 11.430 -10.154 1.00 0.00 C ATOM 446 CG HIS A 29 -7.559 12.687 -9.826 1.00 0.00 C ATOM 447 ND1 HIS A 29 -8.891 12.874 -10.129 1.00 0.00 N ATOM 448 CD2 HIS A 29 -7.150 13.827 -9.219 1.00 0.00 C ATOM 449 CE1 HIS A 29 -9.270 14.073 -9.723 1.00 0.00 C ATOM 450 NE2 HIS A 29 -8.232 14.670 -9.167 1.00 0.00 N ATOM 0 H HIS A 29 -8.991 11.083 -8.715 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.809 9.336 -9.675 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -5.744 11.635 -10.129 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.057 11.129 -11.173 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.158 14.034 -8.846 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -10.260 14.493 -9.828 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -8.234 15.607 -8.764 1.00 0.00 H new ATOM 459 N LEU A 30 -5.023 10.321 -7.983 1.00 0.00 N ATOM 460 CA LEU A 30 -4.174 10.459 -6.804 1.00 0.00 C ATOM 461 C LEU A 30 -2.709 10.627 -7.196 1.00 0.00 C ATOM 462 O LEU A 30 -2.310 10.282 -8.309 1.00 0.00 O ATOM 463 CB LEU A 30 -4.331 9.236 -5.898 1.00 0.00 C ATOM 464 CG LEU A 30 -4.395 7.893 -6.630 1.00 0.00 C ATOM 465 CD1 LEU A 30 -3.154 7.689 -7.484 1.00 0.00 C ATOM 466 CD2 LEU A 30 -4.551 6.751 -5.638 1.00 0.00 C ATOM 0 H LEU A 30 -4.518 10.129 -8.848 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.488 11.353 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.496 9.212 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.239 9.354 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.266 7.902 -7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.219 6.729 -7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.084 8.489 -8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.269 7.702 -6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.595 5.804 -6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.700 6.742 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.470 6.887 -5.068 1.00 0.00 H new ATOM 478 N THR A 31 -1.911 11.150 -6.271 1.00 0.00 N ATOM 479 CA THR A 31 -0.488 11.353 -6.515 1.00 0.00 C ATOM 480 C THR A 31 0.256 10.021 -6.456 1.00 0.00 C ATOM 481 O THR A 31 -0.046 9.174 -5.615 1.00 0.00 O ATOM 482 CB THR A 31 0.095 12.324 -5.485 1.00 0.00 C ATOM 483 OG1 THR A 31 -0.873 13.284 -5.098 1.00 0.00 O ATOM 484 CG2 THR A 31 1.309 13.075 -5.988 1.00 0.00 C ATOM 0 H THR A 31 -2.226 11.441 -5.345 1.00 0.00 H new ATOM 0 HA THR A 31 -0.366 11.780 -7.510 1.00 0.00 H new ATOM 0 HB THR A 31 0.397 11.703 -4.642 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.923 13.323 -4.120 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.671 13.745 -5.208 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.094 12.365 -6.249 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.038 13.656 -6.869 1.00 0.00 H new ATOM 492 N PRO A 32 1.233 9.807 -7.353 1.00 0.00 N ATOM 493 CA PRO A 32 2.002 8.559 -7.392 1.00 0.00 C ATOM 494 C PRO A 32 2.901 8.384 -6.177 1.00 0.00 C ATOM 495 O PRO A 32 3.226 7.262 -5.789 1.00 0.00 O ATOM 496 CB PRO A 32 2.837 8.688 -8.668 1.00 0.00 C ATOM 497 CG PRO A 32 2.942 10.154 -8.909 1.00 0.00 C ATOM 498 CD PRO A 32 1.658 10.751 -8.403 1.00 0.00 C ATOM 0 HA PRO A 32 1.350 7.685 -7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.821 8.236 -8.544 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.358 8.183 -9.507 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.801 10.575 -8.386 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.080 10.366 -9.969 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.811 11.754 -8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.913 10.833 -9.195 1.00 0.00 H new ATOM 506 N SER A 33 3.292 9.495 -5.575 1.00 0.00 N ATOM 507 CA SER A 33 4.145 9.458 -4.395 1.00 0.00 C ATOM 508 C SER A 33 3.327 9.111 -3.166 1.00 0.00 C ATOM 509 O SER A 33 3.809 8.443 -2.251 1.00 0.00 O ATOM 510 CB SER A 33 4.859 10.797 -4.198 1.00 0.00 C ATOM 511 OG SER A 33 5.902 10.685 -3.246 1.00 0.00 O ATOM 0 H SER A 33 3.034 10.433 -5.882 1.00 0.00 H new ATOM 0 HA SER A 33 4.901 8.687 -4.543 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.266 11.139 -5.150 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.142 11.550 -3.870 1.00 0.00 H new ATOM 0 HG SER A 33 6.343 11.554 -3.140 1.00 0.00 H new ATOM 517 N GLU A 34 2.079 9.547 -3.165 1.00 0.00 N ATOM 518 CA GLU A 34 1.178 9.262 -2.062 1.00 0.00 C ATOM 519 C GLU A 34 0.515 7.922 -2.288 1.00 0.00 C ATOM 520 O GLU A 34 0.362 7.122 -1.366 1.00 0.00 O ATOM 521 CB GLU A 34 0.130 10.369 -1.916 1.00 0.00 C ATOM 522 CG GLU A 34 0.488 11.409 -0.867 1.00 0.00 C ATOM 523 CD GLU A 34 0.317 12.829 -1.371 1.00 0.00 C ATOM 524 OE1 GLU A 34 -0.735 13.120 -1.979 1.00 0.00 O ATOM 525 OE2 GLU A 34 1.233 13.650 -1.157 1.00 0.00 O ATOM 0 H GLU A 34 1.667 10.100 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 34 1.750 9.225 -1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.000 10.865 -2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.829 9.919 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.138 11.262 0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.521 11.261 -0.552 1.00 0.00 H new ATOM 532 N SER A 35 0.168 7.663 -3.535 1.00 0.00 N ATOM 533 CA SER A 35 -0.431 6.395 -3.896 1.00 0.00 C ATOM 534 C SER A 35 0.651 5.322 -3.910 1.00 0.00 C ATOM 535 O SER A 35 0.359 4.127 -3.869 1.00 0.00 O ATOM 536 CB SER A 35 -1.124 6.489 -5.255 1.00 0.00 C ATOM 537 OG SER A 35 -0.232 6.182 -6.313 1.00 0.00 O ATOM 0 H SER A 35 0.291 8.313 -4.312 1.00 0.00 H new ATOM 0 HA SER A 35 -1.191 6.131 -3.160 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.971 5.804 -5.281 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.522 7.494 -5.393 1.00 0.00 H new ATOM 0 HG SER A 35 -0.447 6.735 -7.093 1.00 0.00 H new ATOM 543 N GLY A 36 1.912 5.766 -3.946 1.00 0.00 N ATOM 544 CA GLY A 36 3.022 4.842 -3.938 1.00 0.00 C ATOM 545 C GLY A 36 3.157 4.148 -2.605 1.00 0.00 C ATOM 546 O GLY A 36 3.542 2.981 -2.537 1.00 0.00 O ATOM 0 H GLY A 36 2.175 6.751 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.883 4.099 -4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.944 5.378 -4.165 1.00 0.00 H new ATOM 550 N ILE A 37 2.823 4.866 -1.538 1.00 0.00 N ATOM 551 CA ILE A 37 2.895 4.297 -0.197 1.00 0.00 C ATOM 552 C ILE A 37 1.923 3.137 -0.073 1.00 0.00 C ATOM 553 O ILE A 37 2.256 2.081 0.464 1.00 0.00 O ATOM 554 CB ILE A 37 2.588 5.349 0.891 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.645 6.455 0.873 1.00 0.00 C ATOM 556 CG2 ILE A 37 2.517 4.699 2.267 1.00 0.00 C ATOM 557 CD1 ILE A 37 3.141 7.757 0.300 1.00 0.00 C ATOM 0 H ILE A 37 2.503 5.834 -1.574 1.00 0.00 H new ATOM 0 HA ILE A 37 3.915 3.944 -0.044 1.00 0.00 H new ATOM 0 HB ILE A 37 1.616 5.793 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.998 6.627 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.503 6.118 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.300 5.459 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.728 3.946 2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.472 4.226 2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.942 8.496 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.815 7.600 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.302 8.116 0.896 1.00 0.00 H new ATOM 569 N LEU A 38 0.731 3.340 -0.601 1.00 0.00 N ATOM 570 CA LEU A 38 -0.295 2.310 -0.584 1.00 0.00 C ATOM 571 C LEU A 38 0.079 1.194 -1.553 1.00 0.00 C ATOM 572 O LEU A 38 -0.389 0.064 -1.429 1.00 0.00 O ATOM 573 CB LEU A 38 -1.659 2.907 -0.956 1.00 0.00 C ATOM 574 CG LEU A 38 -2.699 1.904 -1.471 1.00 0.00 C ATOM 575 CD1 LEU A 38 -4.061 2.177 -0.854 1.00 0.00 C ATOM 576 CD2 LEU A 38 -2.783 1.954 -2.990 1.00 0.00 C ATOM 0 H LEU A 38 0.447 4.211 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.365 1.897 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.067 3.410 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.506 3.670 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.383 0.904 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.784 1.454 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.994 2.088 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.384 3.184 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.526 1.236 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.072 2.956 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.811 1.706 -3.417 1.00 0.00 H new ATOM 588 N LYS A 39 0.928 1.528 -2.521 1.00 0.00 N ATOM 589 CA LYS A 39 1.369 0.565 -3.518 1.00 0.00 C ATOM 590 C LYS A 39 2.382 -0.405 -2.936 1.00 0.00 C ATOM 591 O LYS A 39 2.363 -1.595 -3.248 1.00 0.00 O ATOM 592 CB LYS A 39 1.962 1.287 -4.730 1.00 0.00 C ATOM 593 CG LYS A 39 1.505 0.714 -6.062 1.00 0.00 C ATOM 594 CD LYS A 39 0.921 1.790 -6.964 1.00 0.00 C ATOM 595 CE LYS A 39 -0.589 1.879 -6.820 1.00 0.00 C ATOM 596 NZ LYS A 39 -0.994 2.946 -5.863 1.00 0.00 N ATOM 0 H LYS A 39 1.324 2.461 -2.634 1.00 0.00 H new ATOM 0 HA LYS A 39 0.499 -0.008 -3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.689 2.341 -4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.050 1.237 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.348 0.238 -6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.758 -0.061 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.368 2.753 -6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.176 1.574 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.036 2.077 -7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.978 0.919 -6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.880 2.672 -5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.248 3.074 -5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.137 3.838 -6.378 1.00 0.00 H new ATOM 610 N ARG A 40 3.263 0.101 -2.088 1.00 0.00 N ATOM 611 CA ARG A 40 4.274 -0.748 -1.470 1.00 0.00 C ATOM 612 C ARG A 40 3.686 -1.528 -0.304 1.00 0.00 C ATOM 613 O ARG A 40 4.194 -2.586 0.068 1.00 0.00 O ATOM 614 CB ARG A 40 5.475 0.078 -1.008 1.00 0.00 C ATOM 615 CG ARG A 40 6.810 -0.608 -1.260 1.00 0.00 C ATOM 616 CD ARG A 40 7.792 0.311 -1.970 1.00 0.00 C ATOM 617 NE ARG A 40 8.037 -0.113 -3.347 1.00 0.00 N ATOM 618 CZ ARG A 40 8.639 0.644 -4.261 1.00 0.00 C ATOM 619 NH1 ARG A 40 9.058 1.864 -3.950 1.00 0.00 N ATOM 620 NH2 ARG A 40 8.821 0.181 -5.489 1.00 0.00 N ATOM 0 H ARG A 40 3.301 1.083 -1.813 1.00 0.00 H new ATOM 0 HA ARG A 40 4.618 -1.459 -2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.466 1.039 -1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.376 0.285 0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.237 -0.932 -0.311 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.651 -1.504 -1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.403 1.329 -1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.734 0.328 -1.422 1.00 0.00 H new ATOM 0 HE ARG A 40 7.728 -1.045 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.919 2.226 -3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.519 2.440 -4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.500 -0.756 -5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.282 0.761 -6.190 1.00 0.00 H new ATOM 634 N LEU A 41 2.600 -1.014 0.256 1.00 0.00 N ATOM 635 CA LEU A 41 1.934 -1.681 1.363 1.00 0.00 C ATOM 636 C LEU A 41 0.969 -2.735 0.836 1.00 0.00 C ATOM 637 O LEU A 41 0.642 -3.696 1.532 1.00 0.00 O ATOM 638 CB LEU A 41 1.197 -0.667 2.240 1.00 0.00 C ATOM 639 CG LEU A 41 1.484 -0.783 3.738 1.00 0.00 C ATOM 640 CD1 LEU A 41 2.961 -0.558 4.017 1.00 0.00 C ATOM 641 CD2 LEU A 41 0.636 0.206 4.524 1.00 0.00 C ATOM 0 H LEU A 41 2.163 -0.140 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 41 2.688 -2.174 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.463 0.337 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.125 -0.782 2.080 1.00 0.00 H new ATOM 0 HG LEU A 41 1.222 -1.791 4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.146 -0.644 5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.550 -1.306 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.248 0.438 3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.855 0.108 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.865 1.221 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.420 -0.001 4.350 1.00 0.00 H new ATOM 653 N LEU A 42 0.533 -2.560 -0.409 1.00 0.00 N ATOM 654 CA LEU A 42 -0.372 -3.512 -1.033 1.00 0.00 C ATOM 655 C LEU A 42 0.376 -4.789 -1.380 1.00 0.00 C ATOM 656 O LEU A 42 -0.209 -5.871 -1.427 1.00 0.00 O ATOM 657 CB LEU A 42 -1.011 -2.913 -2.290 1.00 0.00 C ATOM 658 CG LEU A 42 -2.536 -3.012 -2.350 1.00 0.00 C ATOM 659 CD1 LEU A 42 -2.971 -4.462 -2.490 1.00 0.00 C ATOM 660 CD2 LEU A 42 -3.164 -2.382 -1.113 1.00 0.00 C ATOM 0 H LEU A 42 0.792 -1.771 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.168 -3.747 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.727 -1.863 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.595 -3.413 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.881 -2.463 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.059 -4.513 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.553 -4.880 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.613 -5.034 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.249 -2.463 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.812 -2.901 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.881 -1.331 -1.056 1.00 0.00 H new ATOM 672 N ILE A 43 1.681 -4.659 -1.605 1.00 0.00 N ATOM 673 CA ILE A 43 2.508 -5.812 -1.928 1.00 0.00 C ATOM 674 C ILE A 43 2.492 -6.806 -0.773 1.00 0.00 C ATOM 675 O ILE A 43 2.549 -8.018 -0.981 1.00 0.00 O ATOM 676 CB ILE A 43 3.966 -5.412 -2.236 1.00 0.00 C ATOM 677 CG1 ILE A 43 4.013 -4.146 -3.097 1.00 0.00 C ATOM 678 CG2 ILE A 43 4.687 -6.555 -2.934 1.00 0.00 C ATOM 679 CD1 ILE A 43 3.166 -4.229 -4.350 1.00 0.00 C ATOM 0 H ILE A 43 2.183 -3.772 -1.569 1.00 0.00 H new ATOM 0 HA ILE A 43 2.088 -6.270 -2.823 1.00 0.00 H new ATOM 0 HB ILE A 43 4.471 -5.201 -1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.679 -3.298 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.047 -3.948 -3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.715 -6.261 -3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.687 -7.433 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.177 -6.791 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.250 -3.296 -4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.514 -5.055 -4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.124 -4.395 -4.075 1.00 0.00 H new ATOM 691 N ASN A 44 2.394 -6.280 0.446 1.00 0.00 N ATOM 692 CA ASN A 44 2.347 -7.119 1.637 1.00 0.00 C ATOM 693 C ASN A 44 0.918 -7.563 1.908 1.00 0.00 C ATOM 694 O ASN A 44 0.622 -8.755 1.987 1.00 0.00 O ATOM 695 CB ASN A 44 2.903 -6.364 2.846 1.00 0.00 C ATOM 696 CG ASN A 44 4.391 -6.583 3.032 1.00 0.00 C ATOM 697 OD1 ASN A 44 4.816 -7.326 3.917 1.00 0.00 O ATOM 698 ND2 ASN A 44 5.194 -5.933 2.196 1.00 0.00 N ATOM 0 H ASN A 44 2.346 -5.278 0.633 1.00 0.00 H new ATOM 0 HA ASN A 44 2.964 -8.001 1.465 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.708 -5.298 2.726 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.376 -6.685 3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.205 -6.040 2.274 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.799 -5.327 1.477 1.00 0.00 H new ATOM 705 N LYS A 45 0.040 -6.583 2.037 1.00 0.00 N ATOM 706 CA LYS A 45 -1.377 -6.831 2.286 1.00 0.00 C ATOM 707 C LYS A 45 -1.579 -7.809 3.440 1.00 0.00 C ATOM 708 O LYS A 45 -1.713 -9.015 3.231 1.00 0.00 O ATOM 709 CB LYS A 45 -2.048 -7.365 1.018 1.00 0.00 C ATOM 710 CG LYS A 45 -3.213 -6.512 0.541 1.00 0.00 C ATOM 711 CD LYS A 45 -4.374 -7.369 0.060 1.00 0.00 C ATOM 712 CE LYS A 45 -4.813 -6.980 -1.343 1.00 0.00 C ATOM 713 NZ LYS A 45 -5.784 -5.852 -1.329 1.00 0.00 N ATOM 0 H LYS A 45 0.284 -5.595 1.973 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.839 -5.884 2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.305 -7.428 0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.403 -8.379 1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.548 -5.866 1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.881 -5.861 -0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.082 -8.419 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.214 -7.264 0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.940 -6.700 -1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.265 -7.842 -1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.045 -5.607 -2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.636 -6.134 -0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.350 -5.026 -0.869 1.00 0.00 H new ATOM 727 N GLY A 46 -1.605 -7.279 4.656 1.00 0.00 N ATOM 728 CA GLY A 46 -1.798 -8.114 5.826 1.00 0.00 C ATOM 729 C GLY A 46 -0.492 -8.614 6.407 1.00 0.00 C ATOM 730 O GLY A 46 -0.364 -9.791 6.743 1.00 0.00 O ATOM 0 H GLY A 46 -1.496 -6.284 4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.337 -7.549 6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.423 -8.966 5.560 1.00 0.00 H new ATOM 734 N GLN A 47 0.480 -7.717 6.529 1.00 0.00 N ATOM 735 CA GLN A 47 1.782 -8.072 7.077 1.00 0.00 C ATOM 736 C GLN A 47 2.188 -7.097 8.176 1.00 0.00 C ATOM 737 O GLN A 47 2.056 -5.883 8.022 1.00 0.00 O ATOM 738 CB GLN A 47 2.840 -8.087 5.972 1.00 0.00 C ATOM 739 CG GLN A 47 2.474 -8.976 4.794 1.00 0.00 C ATOM 740 CD GLN A 47 2.856 -10.426 5.016 1.00 0.00 C ATOM 741 OE1 GLN A 47 4.037 -10.763 5.103 1.00 0.00 O ATOM 742 NE2 GLN A 47 1.855 -11.295 5.108 1.00 0.00 N ATOM 0 H GLN A 47 0.390 -6.738 6.255 1.00 0.00 H new ATOM 0 HA GLN A 47 1.709 -9.070 7.508 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.995 -7.069 5.614 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.787 -8.425 6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.401 -8.910 4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.971 -8.607 3.897 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.891 -10.972 5.030 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.051 -12.285 5.257 1.00 0.00 H new ATOM 751 N LEU A 48 2.678 -7.636 9.286 1.00 0.00 N ATOM 752 CA LEU A 48 3.098 -6.812 10.412 1.00 0.00 C ATOM 753 C LEU A 48 4.363 -6.031 10.073 1.00 0.00 C ATOM 754 O LEU A 48 5.477 -6.493 10.321 1.00 0.00 O ATOM 755 CB LEU A 48 3.333 -7.683 11.649 1.00 0.00 C ATOM 756 CG LEU A 48 2.659 -7.183 12.929 1.00 0.00 C ATOM 757 CD1 LEU A 48 1.322 -7.878 13.138 1.00 0.00 C ATOM 758 CD2 LEU A 48 3.570 -7.399 14.129 1.00 0.00 C ATOM 0 H LEU A 48 2.794 -8.639 9.430 1.00 0.00 H new ATOM 0 HA LEU A 48 2.302 -6.099 10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.976 -8.691 11.438 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.406 -7.755 11.826 1.00 0.00 H new ATOM 0 HG LEU A 48 2.474 -6.114 12.826 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.859 -7.509 14.053 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.668 -7.671 12.291 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.480 -8.953 13.220 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.076 -7.038 15.031 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.787 -8.462 14.235 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.501 -6.852 13.982 1.00 0.00 H new ATOM 770 N CYS A 49 4.182 -4.843 9.505 1.00 0.00 N ATOM 771 CA CYS A 49 5.306 -3.993 9.132 1.00 0.00 C ATOM 772 C CYS A 49 5.315 -2.714 9.963 1.00 0.00 C ATOM 773 O CYS A 49 4.626 -1.746 9.641 1.00 0.00 O ATOM 774 CB CYS A 49 5.244 -3.652 7.643 1.00 0.00 C ATOM 775 SG CYS A 49 6.108 -4.832 6.579 1.00 0.00 S ATOM 0 H CYS A 49 3.266 -4.447 9.293 1.00 0.00 H new ATOM 0 HA CYS A 49 6.228 -4.540 9.330 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.199 -3.600 7.336 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.671 -2.661 7.490 1.00 0.00 H new ATOM 0 HG CYS A 49 7.060 -4.222 5.938 1.00 0.00 H new ATOM 781 N LEU A 50 6.098 -2.726 11.039 1.00 0.00 N ATOM 782 CA LEU A 50 6.207 -1.575 11.938 1.00 0.00 C ATOM 783 C LEU A 50 6.300 -0.265 11.162 1.00 0.00 C ATOM 784 O LEU A 50 6.670 -0.251 9.988 1.00 0.00 O ATOM 785 CB LEU A 50 7.432 -1.718 12.851 1.00 0.00 C ATOM 786 CG LEU A 50 7.674 -3.116 13.435 1.00 0.00 C ATOM 787 CD1 LEU A 50 6.358 -3.829 13.716 1.00 0.00 C ATOM 788 CD2 LEU A 50 8.543 -3.940 12.496 1.00 0.00 C ATOM 0 H LEU A 50 6.671 -3.525 11.313 1.00 0.00 H new ATOM 0 HA LEU A 50 5.303 -1.552 12.546 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.317 -1.423 12.288 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.330 -1.013 13.676 1.00 0.00 H new ATOM 0 HG LEU A 50 8.200 -3.001 14.383 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.561 -4.817 14.129 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.775 -3.249 14.432 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.795 -3.932 12.789 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.705 -4.929 12.925 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.044 -4.040 11.532 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.503 -3.442 12.358 1.00 0.00 H new ATOM 800 N ARG A 51 5.963 0.836 11.830 1.00 0.00 N ATOM 801 CA ARG A 51 6.010 2.154 11.205 1.00 0.00 C ATOM 802 C ARG A 51 7.372 2.402 10.576 1.00 0.00 C ATOM 803 O ARG A 51 7.474 2.879 9.446 1.00 0.00 O ATOM 804 CB ARG A 51 5.697 3.244 12.231 1.00 0.00 C ATOM 805 CG ARG A 51 6.733 3.356 13.338 1.00 0.00 C ATOM 806 CD ARG A 51 6.291 4.329 14.420 1.00 0.00 C ATOM 807 NE ARG A 51 7.280 5.380 14.649 1.00 0.00 N ATOM 808 CZ ARG A 51 7.408 6.459 13.881 1.00 0.00 C ATOM 809 NH1 ARG A 51 6.614 6.635 12.831 1.00 0.00 N ATOM 810 NH2 ARG A 51 8.334 7.366 14.162 1.00 0.00 N ATOM 0 H ARG A 51 5.655 0.841 12.802 1.00 0.00 H new ATOM 0 HA ARG A 51 5.255 2.185 10.419 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.621 4.203 11.718 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.723 3.043 12.676 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.904 2.374 13.778 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.683 3.686 12.917 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.341 4.781 14.135 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.119 3.785 15.349 1.00 0.00 H new ATOM 0 HE ARG A 51 7.910 5.281 15.445 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.901 5.941 12.609 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.718 7.465 12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.948 7.236 14.966 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.433 8.193 13.574 1.00 0.00 H new ATOM 824 N LYS A 52 8.413 2.060 11.318 1.00 0.00 N ATOM 825 CA LYS A 52 9.782 2.228 10.845 1.00 0.00 C ATOM 826 C LYS A 52 10.024 1.418 9.582 1.00 0.00 C ATOM 827 O LYS A 52 10.957 1.687 8.827 1.00 0.00 O ATOM 828 CB LYS A 52 10.779 1.822 11.932 1.00 0.00 C ATOM 829 CG LYS A 52 10.711 0.348 12.299 1.00 0.00 C ATOM 830 CD LYS A 52 12.086 -0.300 12.270 1.00 0.00 C ATOM 831 CE LYS A 52 11.991 -1.818 12.277 1.00 0.00 C ATOM 832 NZ LYS A 52 12.588 -2.406 13.508 1.00 0.00 N ATOM 0 H LYS A 52 8.338 1.663 12.254 1.00 0.00 H new ATOM 0 HA LYS A 52 9.930 3.282 10.610 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.788 2.058 11.594 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.594 2.419 12.825 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.278 0.240 13.293 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.049 -0.170 11.605 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.624 0.027 11.380 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.664 0.033 13.132 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.945 -2.117 12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.500 -2.218 11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.503 -3.442 13.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.592 -2.142 13.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.086 -2.045 14.344 1.00 0.00 H new ATOM 846 N HIS A 53 9.171 0.435 9.352 1.00 0.00 N ATOM 847 CA HIS A 53 9.277 -0.406 8.178 1.00 0.00 C ATOM 848 C HIS A 53 8.592 0.251 6.994 1.00 0.00 C ATOM 849 O HIS A 53 9.036 0.130 5.852 1.00 0.00 O ATOM 850 CB HIS A 53 8.643 -1.755 8.466 1.00 0.00 C ATOM 851 CG HIS A 53 9.091 -2.845 7.544 1.00 0.00 C ATOM 852 ND1 HIS A 53 8.762 -3.109 6.257 1.00 0.00 N flip ATOM 853 CD2 HIS A 53 9.987 -3.825 7.916 1.00 0.00 C flip ATOM 854 CE1 HIS A 53 9.458 -4.231 5.880 1.00 0.00 C flip ATOM 855 NE2 HIS A 53 10.190 -4.643 6.898 1.00 0.00 N flip ATOM 0 H HIS A 53 8.393 0.201 9.969 1.00 0.00 H new ATOM 0 HA HIS A 53 10.330 -0.546 7.932 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.874 -2.042 9.492 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.559 -1.658 8.399 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.451 -3.911 8.888 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.414 -4.700 4.908 1.00 0.00 H new ATOM 0 HE2 HIS A 53 10.808 -5.455 6.899 1.00 0.00 H new ATOM 864 N LEU A 54 7.510 0.959 7.282 1.00 0.00 N ATOM 865 CA LEU A 54 6.760 1.654 6.249 1.00 0.00 C ATOM 866 C LEU A 54 7.592 2.784 5.679 1.00 0.00 C ATOM 867 O LEU A 54 7.613 3.010 4.473 1.00 0.00 O ATOM 868 CB LEU A 54 5.442 2.198 6.806 1.00 0.00 C ATOM 869 CG LEU A 54 4.729 1.284 7.806 1.00 0.00 C ATOM 870 CD1 LEU A 54 3.361 1.848 8.159 1.00 0.00 C ATOM 871 CD2 LEU A 54 4.600 -0.125 7.246 1.00 0.00 C ATOM 0 H LEU A 54 7.132 1.067 8.223 1.00 0.00 H new ATOM 0 HA LEU A 54 6.528 0.945 5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.638 3.155 7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.767 2.394 5.973 1.00 0.00 H new ATOM 0 HG LEU A 54 5.327 1.236 8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.867 1.186 8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.479 2.836 8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.756 1.926 7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.091 -0.760 7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.025 -0.097 6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.592 -0.529 7.044 1.00 0.00 H new ATOM 883 N LEU A 55 8.292 3.479 6.558 1.00 0.00 N ATOM 884 CA LEU A 55 9.150 4.581 6.138 1.00 0.00 C ATOM 885 C LEU A 55 10.340 4.065 5.331 1.00 0.00 C ATOM 886 O LEU A 55 11.043 4.841 4.684 1.00 0.00 O ATOM 887 CB LEU A 55 9.647 5.390 7.341 1.00 0.00 C ATOM 888 CG LEU A 55 9.986 4.578 8.597 1.00 0.00 C ATOM 889 CD1 LEU A 55 11.488 4.436 8.763 1.00 0.00 C ATOM 890 CD2 LEU A 55 9.361 5.221 9.828 1.00 0.00 C ATOM 0 H LEU A 55 8.286 3.304 7.563 1.00 0.00 H new ATOM 0 HA LEU A 55 8.552 5.237 5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.535 5.945 7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.885 6.125 7.601 1.00 0.00 H new ATOM 0 HG LEU A 55 9.569 3.578 8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.702 3.856 9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.903 3.926 7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.939 5.424 8.853 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.610 4.633 10.712 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.747 6.234 9.945 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.278 5.257 9.710 1.00 0.00 H new ATOM 902 N GLU A 56 10.564 2.752 5.374 1.00 0.00 N ATOM 903 CA GLU A 56 11.672 2.145 4.647 1.00 0.00 C ATOM 904 C GLU A 56 11.296 1.856 3.197 1.00 0.00 C ATOM 905 O GLU A 56 12.166 1.772 2.330 1.00 0.00 O ATOM 906 CB GLU A 56 12.121 0.858 5.341 1.00 0.00 C ATOM 907 CG GLU A 56 13.010 1.100 6.550 1.00 0.00 C ATOM 908 CD GLU A 56 13.379 -0.183 7.268 1.00 0.00 C ATOM 909 OE1 GLU A 56 14.302 -0.882 6.800 1.00 0.00 O ATOM 910 OE2 GLU A 56 12.745 -0.489 8.300 1.00 0.00 O ATOM 0 H GLU A 56 9.994 2.093 5.903 1.00 0.00 H new ATOM 0 HA GLU A 56 12.498 2.857 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.240 0.297 5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.657 0.236 4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.920 1.608 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.499 1.767 7.245 1.00 0.00 H new ATOM 917 N GLU A 57 10.002 1.707 2.934 1.00 0.00 N ATOM 918 CA GLU A 57 9.536 1.431 1.576 1.00 0.00 C ATOM 919 C GLU A 57 9.341 2.720 0.794 1.00 0.00 C ATOM 920 O GLU A 57 9.436 2.732 -0.433 1.00 0.00 O ATOM 921 CB GLU A 57 8.243 0.611 1.588 1.00 0.00 C ATOM 922 CG GLU A 57 7.242 1.050 2.642 1.00 0.00 C ATOM 923 CD GLU A 57 5.900 0.360 2.496 1.00 0.00 C ATOM 924 OE1 GLU A 57 5.824 -0.855 2.773 1.00 0.00 O ATOM 925 OE2 GLU A 57 4.925 1.035 2.104 1.00 0.00 O ATOM 0 H GLU A 57 9.263 1.771 3.634 1.00 0.00 H new ATOM 0 HA GLU A 57 10.306 0.841 1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.774 0.677 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.492 -0.438 1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.648 0.841 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.101 2.129 2.576 1.00 0.00 H new ATOM 932 N ILE A 58 9.111 3.812 1.508 1.00 0.00 N ATOM 933 CA ILE A 58 8.957 5.107 0.863 1.00 0.00 C ATOM 934 C ILE A 58 10.325 5.760 0.739 1.00 0.00 C ATOM 935 O ILE A 58 10.567 6.572 -0.154 1.00 0.00 O ATOM 936 CB ILE A 58 7.999 6.061 1.618 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.013 5.286 2.503 1.00 0.00 C ATOM 938 CG2 ILE A 58 7.246 6.934 0.624 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.899 4.600 1.738 1.00 0.00 C ATOM 0 H ILE A 58 9.028 3.828 2.524 1.00 0.00 H new ATOM 0 HA ILE A 58 8.512 4.928 -0.116 1.00 0.00 H new ATOM 0 HB ILE A 58 8.599 6.695 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.564 4.536 3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.573 5.973 3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.574 7.602 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.957 7.523 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.666 6.302 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.247 4.075 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.321 5.345 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.327 3.886 1.035 1.00 0.00 H new ATOM 951 N LYS A 59 11.227 5.368 1.637 1.00 0.00 N ATOM 952 CA LYS A 59 12.589 5.876 1.632 1.00 0.00 C ATOM 953 C LYS A 59 13.325 5.374 0.398 1.00 0.00 C ATOM 954 O LYS A 59 14.185 6.064 -0.149 1.00 0.00 O ATOM 955 CB LYS A 59 13.326 5.440 2.900 1.00 0.00 C ATOM 956 CG LYS A 59 14.773 5.905 2.953 1.00 0.00 C ATOM 957 CD LYS A 59 15.539 5.220 4.074 1.00 0.00 C ATOM 958 CE LYS A 59 16.074 3.865 3.640 1.00 0.00 C ATOM 959 NZ LYS A 59 17.513 3.699 3.987 1.00 0.00 N ATOM 0 H LYS A 59 11.033 4.696 2.380 1.00 0.00 H new ATOM 0 HA LYS A 59 12.557 6.965 1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.796 5.828 3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.300 4.353 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.258 5.697 1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.804 6.985 3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.367 5.854 4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.886 5.094 4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.492 3.076 4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.945 3.751 2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.840 2.762 3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.072 4.437 3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.634 3.782 5.017 1.00 0.00 H new ATOM 973 N ASN A 60 12.970 4.168 -0.045 1.00 0.00 N ATOM 974 CA ASN A 60 13.584 3.581 -1.221 1.00 0.00 C ATOM 975 C ASN A 60 12.760 3.896 -2.467 1.00 0.00 C ATOM 976 O ASN A 60 12.580 3.045 -3.337 1.00 0.00 O ATOM 977 CB ASN A 60 13.725 2.067 -1.050 1.00 0.00 C ATOM 978 CG ASN A 60 15.038 1.543 -1.597 1.00 0.00 C ATOM 979 OD1 ASN A 60 15.073 0.891 -2.641 1.00 0.00 O ATOM 980 ND2 ASN A 60 16.128 1.825 -0.892 1.00 0.00 N ATOM 0 H ASN A 60 12.260 3.584 0.397 1.00 0.00 H new ATOM 0 HA ASN A 60 14.577 4.013 -1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.649 1.815 0.008 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.899 1.568 -1.557 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.040 1.498 -1.211 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.053 2.369 -0.032 1.00 0.00 H new ATOM 987 N HIS A 61 12.256 5.126 -2.540 1.00 0.00 N ATOM 988 CA HIS A 61 11.446 5.557 -3.670 1.00 0.00 C ATOM 989 C HIS A 61 11.225 7.067 -3.641 1.00 0.00 C ATOM 990 O HIS A 61 11.609 7.778 -4.570 1.00 0.00 O ATOM 991 CB HIS A 61 10.099 4.833 -3.658 1.00 0.00 C ATOM 992 CG HIS A 61 9.377 4.893 -4.967 1.00 0.00 C ATOM 993 ND1 HIS A 61 8.083 5.353 -5.094 1.00 0.00 N ATOM 994 CD2 HIS A 61 9.775 4.550 -6.215 1.00 0.00 C ATOM 995 CE1 HIS A 61 7.717 5.289 -6.362 1.00 0.00 C ATOM 996 NE2 HIS A 61 8.726 4.806 -7.063 1.00 0.00 N ATOM 0 H HIS A 61 12.397 5.841 -1.826 1.00 0.00 H new ATOM 0 HA HIS A 61 11.981 5.306 -4.586 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.259 3.789 -3.388 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.468 5.269 -2.884 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.739 4.149 -6.492 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.756 5.582 -6.758 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.726 4.649 -8.071 1.00 0.00 H new ATOM 1005 N ALA A 62 10.600 7.550 -2.571 1.00 0.00 N ATOM 1006 CA ALA A 62 10.324 8.975 -2.423 1.00 0.00 C ATOM 1007 C ALA A 62 9.716 9.279 -1.057 1.00 0.00 C ATOM 1008 O ALA A 62 8.498 9.383 -0.919 1.00 0.00 O ATOM 1009 CB ALA A 62 9.395 9.450 -3.529 1.00 0.00 C ATOM 0 H ALA A 62 10.275 6.975 -1.794 1.00 0.00 H new ATOM 0 HA ALA A 62 11.270 9.511 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.198 10.515 -3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.864 9.277 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.456 8.899 -3.477 1.00 0.00 H new ATOM 1015 N LYS A 63 10.573 9.427 -0.052 1.00 0.00 N ATOM 1016 CA LYS A 63 10.115 9.727 1.302 1.00 0.00 C ATOM 1017 C LYS A 63 10.263 11.213 1.602 1.00 0.00 C ATOM 1018 O LYS A 63 10.481 11.617 2.744 1.00 0.00 O ATOM 1019 CB LYS A 63 10.879 8.884 2.335 1.00 0.00 C ATOM 1020 CG LYS A 63 12.264 9.415 2.698 1.00 0.00 C ATOM 1021 CD LYS A 63 13.235 9.330 1.530 1.00 0.00 C ATOM 1022 CE LYS A 63 13.404 10.676 0.845 1.00 0.00 C ATOM 1023 NZ LYS A 63 14.442 10.630 -0.222 1.00 0.00 N ATOM 0 H LYS A 63 11.585 9.345 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 63 9.058 9.469 1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.281 8.819 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.984 7.870 1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.180 10.452 3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.660 8.847 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.203 8.978 1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.874 8.597 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.452 10.985 0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.677 11.428 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.527 11.567 -0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.356 10.360 0.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.169 9.931 -0.942 1.00 0.00 H new ATOM 1092 N ARG A 68 7.109 16.129 4.853 1.00 0.00 N ATOM 1093 CA ARG A 68 8.185 16.172 5.838 1.00 0.00 C ATOM 1094 C ARG A 68 8.490 14.776 6.374 1.00 0.00 C ATOM 1095 O ARG A 68 9.605 14.498 6.814 1.00 0.00 O ATOM 1096 CB ARG A 68 7.815 17.108 6.990 1.00 0.00 C ATOM 1097 CG ARG A 68 8.375 18.514 6.834 1.00 0.00 C ATOM 1098 CD ARG A 68 7.358 19.573 7.233 1.00 0.00 C ATOM 1099 NE ARG A 68 7.084 20.506 6.143 1.00 0.00 N ATOM 1100 CZ ARG A 68 6.276 20.236 5.120 1.00 0.00 C ATOM 1101 NH1 ARG A 68 5.661 19.063 5.044 1.00 0.00 N ATOM 1102 NH2 ARG A 68 6.083 21.142 4.171 1.00 0.00 N ATOM 0 HA ARG A 68 9.079 16.553 5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.729 17.165 7.067 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.179 16.682 7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.270 18.619 7.448 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.678 18.672 5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.430 19.088 7.537 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.728 20.124 8.098 1.00 0.00 H new ATOM 0 HE ARG A 68 7.539 21.419 6.167 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.806 18.363 5.772 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.043 18.861 4.258 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.554 22.045 4.225 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.464 20.935 3.387 1.00 0.00 H new ATOM 1116 N ASN A 69 7.490 13.904 6.332 1.00 0.00 N ATOM 1117 CA ASN A 69 7.641 12.532 6.811 1.00 0.00 C ATOM 1118 C ASN A 69 6.558 11.634 6.219 1.00 0.00 C ATOM 1119 O ASN A 69 5.721 12.091 5.441 1.00 0.00 O ATOM 1120 CB ASN A 69 7.582 12.484 8.342 1.00 0.00 C ATOM 1121 CG ASN A 69 6.669 13.545 8.929 1.00 0.00 C ATOM 1122 OD1 ASN A 69 5.419 13.565 8.482 1.00 0.00 O flip ATOM 1123 ND2 ASN A 69 7.083 14.337 9.776 1.00 0.00 N flip ATOM 0 H ASN A 69 6.562 14.122 5.970 1.00 0.00 H new ATOM 0 HA ASN A 69 8.615 12.166 6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.237 11.499 8.657 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.587 12.613 8.744 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.052 14.286 10.091 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.457 15.044 10.162 1.00 0.00 H new ATOM 1130 N VAL A 70 6.577 10.356 6.590 1.00 0.00 N ATOM 1131 CA VAL A 70 5.589 9.407 6.087 1.00 0.00 C ATOM 1132 C VAL A 70 4.366 9.350 6.991 1.00 0.00 C ATOM 1133 O VAL A 70 3.237 9.217 6.522 1.00 0.00 O ATOM 1134 CB VAL A 70 6.183 7.989 5.932 1.00 0.00 C ATOM 1135 CG1 VAL A 70 6.331 7.300 7.282 1.00 0.00 C ATOM 1136 CG2 VAL A 70 5.322 7.152 4.999 1.00 0.00 C ATOM 0 H VAL A 70 7.261 9.956 7.233 1.00 0.00 H new ATOM 0 HA VAL A 70 5.286 9.765 5.103 1.00 0.00 H new ATOM 0 HB VAL A 70 7.178 8.088 5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.751 6.305 7.138 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.994 7.886 7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.353 7.216 7.757 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.754 6.156 4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.315 7.072 5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.279 7.627 4.019 1.00 0.00 H new ATOM 1146 N ASP A 71 4.605 9.451 8.290 1.00 0.00 N ATOM 1147 CA ASP A 71 3.531 9.408 9.280 1.00 0.00 C ATOM 1148 C ASP A 71 2.382 10.320 8.882 1.00 0.00 C ATOM 1149 O ASP A 71 1.303 9.858 8.511 1.00 0.00 O ATOM 1150 CB ASP A 71 4.062 9.801 10.660 1.00 0.00 C ATOM 1151 CG ASP A 71 3.643 8.823 11.740 1.00 0.00 C ATOM 1152 OD1 ASP A 71 3.696 7.601 11.488 1.00 0.00 O ATOM 1153 OD2 ASP A 71 3.263 9.279 12.839 1.00 0.00 O ATOM 0 H ASP A 71 5.537 9.564 8.688 1.00 0.00 H new ATOM 0 HA ASP A 71 3.155 8.386 9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.150 9.856 10.626 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.700 10.797 10.915 1.00 0.00 H new ATOM 1158 N VAL A 72 2.628 11.615 8.953 1.00 0.00 N ATOM 1159 CA VAL A 72 1.620 12.602 8.590 1.00 0.00 C ATOM 1160 C VAL A 72 1.141 12.376 7.161 1.00 0.00 C ATOM 1161 O VAL A 72 0.031 12.763 6.798 1.00 0.00 O ATOM 1162 CB VAL A 72 2.154 14.041 8.732 1.00 0.00 C ATOM 1163 CG1 VAL A 72 1.071 15.054 8.394 1.00 0.00 C ATOM 1164 CG2 VAL A 72 2.689 14.274 10.138 1.00 0.00 C ATOM 0 H VAL A 72 3.517 12.011 9.259 1.00 0.00 H new ATOM 0 HA VAL A 72 0.784 12.478 9.278 1.00 0.00 H new ATOM 0 HB VAL A 72 2.974 14.174 8.026 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.470 16.063 8.501 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.739 14.902 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.227 14.924 9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.062 15.295 10.221 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.889 14.120 10.862 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.500 13.574 10.339 1.00 0.00 H new ATOM 1174 N HIS A 73 1.982 11.730 6.361 1.00 0.00 N ATOM 1175 CA HIS A 73 1.639 11.434 4.979 1.00 0.00 C ATOM 1176 C HIS A 73 0.629 10.300 4.923 1.00 0.00 C ATOM 1177 O HIS A 73 -0.224 10.256 4.038 1.00 0.00 O ATOM 1178 CB HIS A 73 2.891 11.072 4.177 1.00 0.00 C ATOM 1179 CG HIS A 73 3.002 11.807 2.878 1.00 0.00 C ATOM 1180 ND1 HIS A 73 2.540 13.094 2.699 1.00 0.00 N ATOM 1181 CD2 HIS A 73 3.526 11.429 1.687 1.00 0.00 C ATOM 1182 CE1 HIS A 73 2.775 13.476 1.456 1.00 0.00 C ATOM 1183 NE2 HIS A 73 3.372 12.484 0.822 1.00 0.00 N ATOM 0 H HIS A 73 2.905 11.402 6.647 1.00 0.00 H new ATOM 0 HA HIS A 73 1.194 12.324 4.534 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.773 11.283 4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.889 10.000 3.980 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.980 10.476 1.460 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.522 14.436 1.031 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.671 12.499 -0.153 1.00 0.00 H new ATOM 1192 N ILE A 74 0.722 9.394 5.889 1.00 0.00 N ATOM 1193 CA ILE A 74 -0.199 8.270 5.961 1.00 0.00 C ATOM 1194 C ILE A 74 -1.620 8.777 6.179 1.00 0.00 C ATOM 1195 O ILE A 74 -2.590 8.154 5.746 1.00 0.00 O ATOM 1196 CB ILE A 74 0.182 7.286 7.091 1.00 0.00 C ATOM 1197 CG1 ILE A 74 1.484 6.560 6.748 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -0.935 6.277 7.333 1.00 0.00 C ATOM 1199 CD1 ILE A 74 1.948 5.609 7.830 1.00 0.00 C ATOM 0 H ILE A 74 1.423 9.416 6.630 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.139 7.732 5.015 1.00 0.00 H new ATOM 0 HB ILE A 74 0.329 7.860 8.006 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.347 6.004 5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.265 7.298 6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.643 5.596 8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.845 6.804 7.619 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.116 5.709 6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.876 5.129 7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.117 6.163 8.753 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.185 4.849 7.998 1.00 0.00 H new ATOM 1211 N ALA A 75 -1.729 9.921 6.846 1.00 0.00 N ATOM 1212 CA ALA A 75 -3.025 10.528 7.116 1.00 0.00 C ATOM 1213 C ALA A 75 -3.675 10.984 5.825 1.00 0.00 C ATOM 1214 O ALA A 75 -4.765 10.536 5.470 1.00 0.00 O ATOM 1215 CB ALA A 75 -2.880 11.690 8.086 1.00 0.00 C ATOM 0 H ALA A 75 -0.934 10.446 7.210 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.668 9.779 7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.859 12.130 8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.456 11.330 9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.220 12.443 7.655 1.00 0.00 H new ATOM 1221 N SER A 76 -2.984 11.858 5.114 1.00 0.00 N ATOM 1222 CA SER A 76 -3.480 12.356 3.838 1.00 0.00 C ATOM 1223 C SER A 76 -3.650 11.195 2.874 1.00 0.00 C ATOM 1224 O SER A 76 -4.487 11.234 1.972 1.00 0.00 O ATOM 1225 CB SER A 76 -2.524 13.399 3.255 1.00 0.00 C ATOM 1226 OG SER A 76 -1.230 12.855 3.064 1.00 0.00 O ATOM 0 H SER A 76 -2.080 12.238 5.395 1.00 0.00 H new ATOM 0 HA SER A 76 -4.445 12.837 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.913 13.762 2.304 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.466 14.258 3.924 1.00 0.00 H new ATOM 0 HG SER A 76 -1.171 11.985 3.512 1.00 0.00 H new ATOM 1232 N LEU A 77 -2.867 10.148 3.098 1.00 0.00 N ATOM 1233 CA LEU A 77 -2.941 8.953 2.280 1.00 0.00 C ATOM 1234 C LEU A 77 -4.313 8.319 2.432 1.00 0.00 C ATOM 1235 O LEU A 77 -4.834 7.705 1.506 1.00 0.00 O ATOM 1236 CB LEU A 77 -1.852 7.958 2.693 1.00 0.00 C ATOM 1237 CG LEU A 77 -0.861 7.584 1.591 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -1.533 6.701 0.551 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -0.282 8.835 0.945 1.00 0.00 C ATOM 0 H LEU A 77 -2.172 10.106 3.843 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.783 9.224 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.297 8.379 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.331 7.048 3.053 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.041 7.023 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.814 6.443 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.895 5.790 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.372 7.236 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.421 8.548 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.088 9.426 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.236 9.428 1.699 1.00 0.00 H new ATOM 1251 N ARG A 78 -4.887 8.483 3.617 1.00 0.00 N ATOM 1252 CA ARG A 78 -6.201 7.936 3.920 1.00 0.00 C ATOM 1253 C ARG A 78 -7.268 8.496 2.985 1.00 0.00 C ATOM 1254 O ARG A 78 -8.315 7.880 2.785 1.00 0.00 O ATOM 1255 CB ARG A 78 -6.575 8.237 5.373 1.00 0.00 C ATOM 1256 CG ARG A 78 -7.418 7.153 6.022 1.00 0.00 C ATOM 1257 CD ARG A 78 -7.859 7.552 7.421 1.00 0.00 C ATOM 1258 NE ARG A 78 -8.815 6.603 7.987 1.00 0.00 N ATOM 1259 CZ ARG A 78 -10.111 6.586 7.684 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -10.610 7.463 6.822 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -10.910 5.689 8.245 1.00 0.00 N ATOM 0 H ARG A 78 -4.458 8.995 4.388 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.154 6.857 3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.662 8.372 5.954 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.120 9.180 5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.295 6.955 5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.846 6.226 6.070 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.986 7.618 8.071 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.309 8.544 7.390 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.469 5.913 8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.000 8.155 6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.604 7.445 6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.531 5.013 8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.903 5.675 8.013 1.00 0.00 H new ATOM 1275 N LYS A 79 -7.008 9.674 2.428 1.00 0.00 N ATOM 1276 CA LYS A 79 -7.965 10.317 1.532 1.00 0.00 C ATOM 1277 C LYS A 79 -7.751 9.927 0.073 1.00 0.00 C ATOM 1278 O LYS A 79 -8.692 9.547 -0.624 1.00 0.00 O ATOM 1279 CB LYS A 79 -7.887 11.838 1.683 1.00 0.00 C ATOM 1280 CG LYS A 79 -9.191 12.468 2.147 1.00 0.00 C ATOM 1281 CD LYS A 79 -8.948 13.575 3.163 1.00 0.00 C ATOM 1282 CE LYS A 79 -9.356 14.935 2.618 1.00 0.00 C ATOM 1283 NZ LYS A 79 -10.668 15.381 3.162 1.00 0.00 N ATOM 0 H LYS A 79 -6.148 10.201 2.579 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.957 9.968 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.100 12.085 2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.601 12.276 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.726 12.873 1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.829 11.702 2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.509 13.364 4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.893 13.594 3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.591 15.670 2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.411 14.888 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.910 16.312 2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.403 14.693 2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.609 15.450 4.198 1.00 0.00 H new ATOM 1297 N LYS A 80 -6.521 10.051 -0.384 1.00 0.00 N ATOM 1298 CA LYS A 80 -6.178 9.742 -1.770 1.00 0.00 C ATOM 1299 C LYS A 80 -6.266 8.250 -2.068 1.00 0.00 C ATOM 1300 O LYS A 80 -6.934 7.828 -3.011 1.00 0.00 O ATOM 1301 CB LYS A 80 -4.773 10.257 -2.093 1.00 0.00 C ATOM 1302 CG LYS A 80 -4.725 11.171 -3.307 1.00 0.00 C ATOM 1303 CD LYS A 80 -4.654 12.635 -2.902 1.00 0.00 C ATOM 1304 CE LYS A 80 -4.307 13.525 -4.084 1.00 0.00 C ATOM 1305 NZ LYS A 80 -5.514 14.185 -4.655 1.00 0.00 N ATOM 0 H LYS A 80 -5.734 10.365 0.183 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.908 10.246 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.384 10.795 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.113 9.406 -2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.859 10.920 -3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.609 11.006 -3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.611 12.944 -2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.906 12.761 -2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.592 14.285 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.819 12.930 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.235 14.783 -5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.185 13.460 -4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.966 14.773 -3.926 1.00 0.00 H new ATOM 1319 N LEU A 81 -5.566 7.467 -1.270 1.00 0.00 N ATOM 1320 CA LEU A 81 -5.526 6.017 -1.442 1.00 0.00 C ATOM 1321 C LEU A 81 -6.927 5.407 -1.556 1.00 0.00 C ATOM 1322 O LEU A 81 -7.093 4.328 -2.127 1.00 0.00 O ATOM 1323 CB LEU A 81 -4.736 5.375 -0.293 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.561 4.694 0.802 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -4.647 4.167 1.898 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -6.593 5.651 1.380 1.00 0.00 C ATOM 0 H LEU A 81 -5.010 7.810 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.018 5.807 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.055 4.637 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.121 6.146 0.172 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.094 3.854 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.246 3.685 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.951 3.443 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.089 4.995 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.166 5.143 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.087 6.515 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.266 5.981 0.589 1.00 0.00 H new ATOM 1338 N GLY A 82 -7.931 6.095 -1.019 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.291 5.589 -1.087 1.00 0.00 C ATOM 1340 C GLY A 82 -9.789 5.038 0.238 1.00 0.00 C ATOM 1341 O GLY A 82 -9.782 5.738 1.250 1.00 0.00 O ATOM 0 H GLY A 82 -7.828 6.990 -0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.954 6.390 -1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.343 4.805 -1.842 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.233 3.782 0.227 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.749 3.138 1.433 1.00 0.00 C ATOM 1347 C ALA A 83 -9.653 2.420 2.214 1.00 0.00 C ATOM 1348 O ALA A 83 -9.792 2.175 3.412 1.00 0.00 O ATOM 1349 CB ALA A 83 -11.862 2.166 1.072 1.00 0.00 C ATOM 0 H ALA A 83 -10.246 3.191 -0.604 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.147 3.921 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.239 1.692 1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.672 2.706 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.474 1.403 0.398 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.565 2.087 1.533 1.00 0.00 N ATOM 1356 CA TYR A 84 -7.445 1.398 2.165 1.00 0.00 C ATOM 1357 C TYR A 84 -6.911 2.197 3.350 1.00 0.00 C ATOM 1358 O TYR A 84 -6.253 1.648 4.233 1.00 0.00 O ATOM 1359 CB TYR A 84 -6.321 1.164 1.154 1.00 0.00 C ATOM 1360 CG TYR A 84 -6.628 0.096 0.129 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -6.640 -1.248 0.477 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -6.897 0.435 -1.191 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -6.910 -2.225 -0.462 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -7.170 -0.535 -2.135 1.00 0.00 C ATOM 1365 CZ TYR A 84 -7.175 -1.863 -1.766 1.00 0.00 C ATOM 1366 OH TYR A 84 -7.442 -2.832 -2.704 1.00 0.00 O ATOM 0 H TYR A 84 -8.433 2.283 0.541 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.807 0.436 2.527 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.111 2.100 0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.414 0.887 1.692 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.435 -1.534 1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.893 1.475 -1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.913 -3.267 -0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.378 -0.255 -3.157 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.173 -3.708 -2.355 1.00 0.00 H new ATOM 1376 N GLY A 85 -7.197 3.497 3.365 1.00 0.00 N ATOM 1377 CA GLY A 85 -6.738 4.346 4.449 1.00 0.00 C ATOM 1378 C GLY A 85 -7.041 3.757 5.813 1.00 0.00 C ATOM 1379 O GLY A 85 -6.328 4.015 6.782 1.00 0.00 O ATOM 0 H GLY A 85 -7.738 3.976 2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.663 4.502 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.211 5.325 4.366 1.00 0.00 H new ATOM 1383 N SER A 86 -8.097 2.953 5.882 1.00 0.00 N ATOM 1384 CA SER A 86 -8.488 2.313 7.131 1.00 0.00 C ATOM 1385 C SER A 86 -7.751 0.990 7.307 1.00 0.00 C ATOM 1386 O SER A 86 -7.568 0.512 8.427 1.00 0.00 O ATOM 1387 CB SER A 86 -10.001 2.082 7.162 1.00 0.00 C ATOM 1388 OG SER A 86 -10.650 3.056 7.960 1.00 0.00 O ATOM 0 H SER A 86 -8.697 2.730 5.088 1.00 0.00 H new ATOM 0 HA SER A 86 -8.218 2.974 7.954 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.398 2.116 6.147 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.212 1.087 7.554 1.00 0.00 H new ATOM 0 HG SER A 86 -11.615 2.887 7.962 1.00 0.00 H new ATOM 1394 N ARG A 87 -7.329 0.406 6.192 1.00 0.00 N ATOM 1395 CA ARG A 87 -6.607 -0.862 6.215 1.00 0.00 C ATOM 1396 C ARG A 87 -5.317 -0.741 7.025 1.00 0.00 C ATOM 1397 O ARG A 87 -4.878 -1.703 7.655 1.00 0.00 O ATOM 1398 CB ARG A 87 -6.292 -1.312 4.786 1.00 0.00 C ATOM 1399 CG ARG A 87 -5.445 -2.573 4.706 1.00 0.00 C ATOM 1400 CD ARG A 87 -4.870 -2.766 3.311 1.00 0.00 C ATOM 1401 NE ARG A 87 -4.293 -1.530 2.783 1.00 0.00 N ATOM 1402 CZ ARG A 87 -2.987 -1.309 2.648 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -2.102 -2.240 2.988 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -2.565 -0.147 2.168 1.00 0.00 N ATOM 0 H ARG A 87 -7.474 0.790 5.258 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.241 -1.609 6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.229 -1.482 4.255 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.774 -0.505 4.268 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.633 -2.515 5.431 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.051 -3.438 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.104 -3.541 3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.655 -3.116 2.640 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.933 -0.788 2.500 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.421 -3.136 3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.104 -2.059 2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.240 0.571 1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.566 0.028 2.062 1.00 0.00 H new ATOM 1418 N ILE A 88 -4.714 0.444 7.005 1.00 0.00 N ATOM 1419 CA ILE A 88 -3.474 0.686 7.739 1.00 0.00 C ATOM 1420 C ILE A 88 -3.726 0.708 9.244 1.00 0.00 C ATOM 1421 O ILE A 88 -4.123 1.732 9.800 1.00 0.00 O ATOM 1422 CB ILE A 88 -2.815 2.020 7.320 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -2.917 2.225 5.805 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -1.358 2.058 7.762 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -2.436 1.039 4.995 1.00 0.00 C ATOM 0 H ILE A 88 -5.063 1.252 6.489 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.798 -0.133 7.494 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.350 2.832 7.813 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.955 2.434 5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.335 3.104 5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.910 3.004 7.458 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.304 1.962 8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.815 1.235 7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.539 1.258 3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.389 0.842 5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.034 0.162 5.244 1.00 0.00 H new ATOM 1437 N VAL A 89 -3.496 -0.427 9.898 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.701 -0.535 11.338 1.00 0.00 C ATOM 1439 C VAL A 89 -2.449 -0.129 12.108 1.00 0.00 C ATOM 1440 O VAL A 89 -1.333 -0.230 11.598 1.00 0.00 O ATOM 1441 CB VAL A 89 -4.094 -1.968 11.743 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.506 -2.017 13.206 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -5.209 -2.490 10.850 1.00 0.00 C ATOM 0 H VAL A 89 -3.168 -1.284 9.453 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.515 0.145 11.591 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.225 -2.612 11.613 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.780 -3.038 13.473 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.674 -1.690 13.829 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.360 -1.359 13.366 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.473 -3.504 11.152 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.082 -1.845 10.944 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.872 -2.496 9.813 1.00 0.00 H new ATOM 1453 N THR A 90 -2.644 0.326 13.341 1.00 0.00 N ATOM 1454 CA THR A 90 -1.535 0.744 14.189 1.00 0.00 C ATOM 1455 C THR A 90 -1.792 0.357 15.641 1.00 0.00 C ATOM 1456 O THR A 90 -2.742 0.836 16.261 1.00 0.00 O ATOM 1457 CB THR A 90 -1.323 2.255 14.082 1.00 0.00 C ATOM 1458 OG1 THR A 90 -1.530 2.697 12.753 1.00 0.00 O ATOM 1459 CG2 THR A 90 0.062 2.697 14.502 1.00 0.00 C ATOM 0 H THR A 90 -3.562 0.415 13.776 1.00 0.00 H new ATOM 0 HA THR A 90 -0.634 0.235 13.847 1.00 0.00 H new ATOM 0 HB THR A 90 -2.050 2.697 14.764 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.666 2.788 12.300 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.145 3.779 14.402 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.235 2.415 15.541 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.806 2.216 13.867 1.00 0.00 H new ATOM 1467 N LEU A 91 -0.946 -0.516 16.177 1.00 0.00 N ATOM 1468 CA LEU A 91 -1.091 -0.969 17.555 1.00 0.00 C ATOM 1469 C LEU A 91 0.191 -0.732 18.348 1.00 0.00 C ATOM 1470 O LEU A 91 1.267 -1.181 17.954 1.00 0.00 O ATOM 1471 CB LEU A 91 -1.456 -2.456 17.585 1.00 0.00 C ATOM 1472 CG LEU A 91 -2.871 -2.768 18.084 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -3.720 -3.344 16.961 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -2.824 -3.729 19.264 1.00 0.00 C ATOM 0 H LEU A 91 -0.154 -0.923 15.679 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.892 -0.393 18.019 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.344 -2.862 16.580 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.740 -2.977 18.221 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.328 -1.837 18.418 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.721 -3.559 17.335 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.784 -2.622 16.147 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.264 -4.264 16.595 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.838 -3.938 19.604 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.345 -4.659 18.957 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.255 -3.279 20.077 1.00 0.00 H new ATOM 1486 N ARG A 92 0.067 -0.031 19.470 1.00 0.00 N ATOM 1487 CA ARG A 92 1.216 0.254 20.320 1.00 0.00 C ATOM 1488 C ARG A 92 1.605 -0.985 21.119 1.00 0.00 C ATOM 1489 O ARG A 92 1.425 -1.039 22.335 1.00 0.00 O ATOM 1490 CB ARG A 92 0.907 1.416 21.265 1.00 0.00 C ATOM 1491 CG ARG A 92 1.153 2.782 20.646 1.00 0.00 C ATOM 1492 CD ARG A 92 0.747 3.903 21.588 1.00 0.00 C ATOM 1493 NE ARG A 92 1.874 4.382 22.385 1.00 0.00 N ATOM 1494 CZ ARG A 92 1.898 5.561 23.003 1.00 0.00 C ATOM 1495 NH1 ARG A 92 0.860 6.385 22.917 1.00 0.00 N ATOM 1496 NH2 ARG A 92 2.962 5.919 23.708 1.00 0.00 N ATOM 0 H ARG A 92 -0.816 0.349 19.811 1.00 0.00 H new ATOM 0 HA ARG A 92 2.054 0.537 19.683 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.134 1.351 21.580 1.00 0.00 H new ATOM 0 HB3 ARG A 92 1.518 1.317 22.162 1.00 0.00 H new ATOM 0 HG2 ARG A 92 2.208 2.883 20.393 1.00 0.00 H new ATOM 0 HG3 ARG A 92 0.592 2.867 19.715 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.333 4.730 21.011 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -0.043 3.551 22.252 1.00 0.00 H new ATOM 0 HE ARG A 92 2.691 3.777 22.473 1.00 0.00 H new ATOM 0 HH11 ARG A 92 0.039 6.116 22.375 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.884 7.287 23.393 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.763 5.291 23.777 1.00 0.00 H new ATOM 0 HH22 ARG A 92 2.980 6.822 24.181 1.00 0.00 H new ATOM 1510 N GLY A 93 2.135 -1.982 20.419 1.00 0.00 N ATOM 1511 CA GLY A 93 2.540 -3.216 21.064 1.00 0.00 C ATOM 1512 C GLY A 93 2.833 -4.312 20.062 1.00 0.00 C ATOM 1513 O GLY A 93 3.778 -5.082 20.230 1.00 0.00 O ATOM 0 H GLY A 93 2.292 -1.956 19.411 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.427 -3.033 21.671 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.753 -3.546 21.742 1.00 0.00 H new ATOM 1517 N VAL A 94 2.023 -4.377 19.011 1.00 0.00 N ATOM 1518 CA VAL A 94 2.205 -5.380 17.973 1.00 0.00 C ATOM 1519 C VAL A 94 2.871 -4.769 16.743 1.00 0.00 C ATOM 1520 O VAL A 94 3.615 -5.440 16.030 1.00 0.00 O ATOM 1521 CB VAL A 94 0.865 -6.027 17.565 1.00 0.00 C ATOM 1522 CG1 VAL A 94 -0.073 -5.000 16.948 1.00 0.00 C ATOM 1523 CG2 VAL A 94 1.106 -7.182 16.608 1.00 0.00 C ATOM 0 H VAL A 94 1.236 -3.747 18.857 1.00 0.00 H new ATOM 0 HA VAL A 94 2.850 -6.156 18.386 1.00 0.00 H new ATOM 0 HB VAL A 94 0.386 -6.416 18.464 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.010 -5.483 16.670 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.273 -4.210 17.671 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.391 -4.570 16.060 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.152 -7.629 16.329 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.610 -6.815 15.714 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.730 -7.933 17.093 1.00 0.00 H new ATOM 1533 N GLY A 95 2.603 -3.487 16.507 1.00 0.00 N ATOM 1534 CA GLY A 95 3.190 -2.805 15.370 1.00 0.00 C ATOM 1535 C GLY A 95 2.184 -2.513 14.276 1.00 0.00 C ATOM 1536 O GLY A 95 0.997 -2.812 14.413 1.00 0.00 O ATOM 0 H GLY A 95 1.990 -2.910 17.083 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.637 -1.869 15.705 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.996 -3.415 14.963 1.00 0.00 H new ATOM 1540 N TYR A 96 2.665 -1.922 13.191 1.00 0.00 N ATOM 1541 CA TYR A 96 1.818 -1.575 12.058 1.00 0.00 C ATOM 1542 C TYR A 96 1.348 -2.824 11.318 1.00 0.00 C ATOM 1543 O TYR A 96 2.150 -3.691 10.971 1.00 0.00 O ATOM 1544 CB TYR A 96 2.579 -0.655 11.101 1.00 0.00 C ATOM 1545 CG TYR A 96 2.128 0.787 11.158 1.00 0.00 C ATOM 1546 CD1 TYR A 96 2.677 1.669 12.081 1.00 0.00 C ATOM 1547 CD2 TYR A 96 1.156 1.267 10.290 1.00 0.00 C ATOM 1548 CE1 TYR A 96 2.270 2.988 12.137 1.00 0.00 C ATOM 1549 CE2 TYR A 96 0.743 2.586 10.340 1.00 0.00 C ATOM 1550 CZ TYR A 96 1.303 3.441 11.265 1.00 0.00 C ATOM 1551 OH TYR A 96 0.896 4.754 11.317 1.00 0.00 O ATOM 0 H TYR A 96 3.646 -1.671 13.071 1.00 0.00 H new ATOM 0 HA TYR A 96 0.938 -1.055 12.437 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.643 -0.703 11.333 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.458 -1.024 10.083 1.00 0.00 H new ATOM 0 HD1 TYR A 96 3.434 1.317 12.766 1.00 0.00 H new ATOM 0 HD2 TYR A 96 0.715 0.600 9.564 1.00 0.00 H new ATOM 0 HE1 TYR A 96 2.707 3.661 12.860 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -0.014 2.944 9.658 1.00 0.00 H new ATOM 0 HH TYR A 96 0.210 4.911 10.635 1.00 0.00 H new ATOM 1561 N LEU A 97 0.044 -2.904 11.076 1.00 0.00 N ATOM 1562 CA LEU A 97 -0.537 -4.039 10.372 1.00 0.00 C ATOM 1563 C LEU A 97 -1.570 -3.565 9.357 1.00 0.00 C ATOM 1564 O LEU A 97 -2.341 -2.649 9.628 1.00 0.00 O ATOM 1565 CB LEU A 97 -1.185 -5.007 11.364 1.00 0.00 C ATOM 1566 CG LEU A 97 -1.889 -6.209 10.731 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -0.961 -7.414 10.700 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -3.169 -6.538 11.485 1.00 0.00 C ATOM 0 H LEU A 97 -0.631 -2.194 11.358 1.00 0.00 H new ATOM 0 HA LEU A 97 0.261 -4.559 9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.417 -5.373 12.046 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.909 -4.457 11.965 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.153 -5.952 9.705 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.478 -8.260 10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.073 -7.175 10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.666 -7.672 11.717 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.655 -7.395 11.020 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.930 -6.775 12.522 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.840 -5.680 11.454 1.00 0.00 H new ATOM 1580 N PHE A 98 -1.581 -4.190 8.188 1.00 0.00 N ATOM 1581 CA PHE A 98 -2.525 -3.822 7.138 1.00 0.00 C ATOM 1582 C PHE A 98 -3.580 -4.908 6.960 1.00 0.00 C ATOM 1583 O PHE A 98 -3.497 -5.726 6.044 1.00 0.00 O ATOM 1584 CB PHE A 98 -1.798 -3.574 5.812 1.00 0.00 C ATOM 1585 CG PHE A 98 -0.358 -3.172 5.970 1.00 0.00 C ATOM 1586 CD1 PHE A 98 -0.020 -2.008 6.641 1.00 0.00 C ATOM 1587 CD2 PHE A 98 0.656 -3.959 5.447 1.00 0.00 C ATOM 1588 CE1 PHE A 98 1.303 -1.636 6.787 1.00 0.00 C ATOM 1589 CE2 PHE A 98 1.981 -3.592 5.591 1.00 0.00 C ATOM 1590 CZ PHE A 98 2.304 -2.428 6.261 1.00 0.00 C ATOM 0 H PHE A 98 -0.950 -4.952 7.942 1.00 0.00 H new ATOM 0 HA PHE A 98 -3.019 -2.898 7.440 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.847 -4.480 5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -2.324 -2.794 5.261 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.799 -1.384 7.055 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.408 -4.869 4.921 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.554 -0.726 7.312 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.762 -4.214 5.180 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.338 -2.138 6.373 1.00 0.00 H new ATOM 1600 N SER A 99 -4.569 -4.910 7.847 1.00 0.00 N ATOM 1601 CA SER A 99 -5.642 -5.898 7.797 1.00 0.00 C ATOM 1602 C SER A 99 -6.568 -5.648 6.610 1.00 0.00 C ATOM 1603 O SER A 99 -7.353 -4.700 6.613 1.00 0.00 O ATOM 1604 CB SER A 99 -6.446 -5.872 9.098 1.00 0.00 C ATOM 1605 OG SER A 99 -5.936 -6.807 10.033 1.00 0.00 O ATOM 0 H SER A 99 -4.650 -4.238 8.610 1.00 0.00 H new ATOM 0 HA SER A 99 -5.187 -6.881 7.674 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.416 -4.871 9.527 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.491 -6.097 8.887 1.00 0.00 H new ATOM 0 HG SER A 99 -6.466 -6.769 10.856 1.00 0.00 H new