USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 656 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 81 THR OG1 : rot -55:sc= 1.29 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= -0.12 USER MOD Set 1.3: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -4.45! K(o=-4.5!,f=-2.1) USER MOD Set 2.2: A 40 GLN : amide:sc= 0 K(o=-4.5,f=-2.5) USER MOD Single : A 10 LYS NZ :NH3+ 162:sc= 0.796 (180deg=0.423) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0355 X(o=-0.035,f=-0.035) USER MOD Single : A 17 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 18 THR OG1 : rot 4:sc= 0.587 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00742 K(o=-0.0074,f=-0.56) USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= -0.0747 (180deg=-0.464) USER MOD Single : A 28 TYR OH : rot 140:sc= -1.69 USER MOD Single : A 33 SER OG : rot -45:sc= 0.0438 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.63 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.8!) USER MOD Single : A 48 TYR OH : rot 165:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= -2.29 K(o=-2.3,f=-4.4!) USER MOD Single : A 76 CYS SG : rot 94:sc= -1.46 USER MOD Single : A 84 MET CE :methyl 180:sc= -0.876 (180deg=-0.876) USER MOD Single : A 91 ASN : amide:sc= -3.05 K(o=-3,f=-6.8!) USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 113 SER OG : rot -77:sc= 1.07 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.186 K(o=-0.19,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -3.673 2.810 8.397 1.00 0.00 N ATOM 100 CA LYS A 10 -3.576 1.356 8.358 1.00 0.00 C ATOM 101 C LYS A 10 -2.127 0.911 8.191 1.00 0.00 C ATOM 102 O LYS A 10 -1.287 1.671 7.709 1.00 0.00 O ATOM 103 CB LYS A 10 -4.427 0.799 7.215 1.00 0.00 C ATOM 104 CG LYS A 10 -5.849 0.456 7.625 1.00 0.00 C ATOM 105 CD LYS A 10 -6.820 0.631 6.470 1.00 0.00 C ATOM 106 CE LYS A 10 -6.647 -0.462 5.426 1.00 0.00 C ATOM 107 NZ LYS A 10 -5.637 -0.091 4.397 1.00 0.00 N ATOM 0 HA LYS A 10 -3.950 0.966 9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.457 1.530 6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.947 -0.095 6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.888 -0.573 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.152 1.092 8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.842 0.617 6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.665 1.606 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.343 -1.387 5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.604 -0.657 4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.323 -0.946 3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.061 0.574 3.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.821 0.359 4.858 1.00 0.00 H new ATOM 121 N GLU A 11 -1.842 -0.324 8.591 1.00 0.00 N ATOM 122 CA GLU A 11 -0.493 -0.869 8.484 1.00 0.00 C ATOM 123 C GLU A 11 -0.517 -2.394 8.533 1.00 0.00 C ATOM 124 O GLU A 11 -1.504 -2.997 8.951 1.00 0.00 O ATOM 125 CB GLU A 11 0.391 -0.325 9.608 1.00 0.00 C ATOM 126 CG GLU A 11 0.158 -1.002 10.948 1.00 0.00 C ATOM 127 CD GLU A 11 -1.144 -0.577 11.598 1.00 0.00 C ATOM 128 OE1 GLU A 11 -1.202 0.552 12.128 1.00 0.00 O ATOM 129 OE2 GLU A 11 -2.106 -1.374 11.576 1.00 0.00 O ATOM 0 H GLU A 11 -2.526 -0.966 8.992 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.079 -0.560 7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.437 -0.446 9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.211 0.745 9.715 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.154 -2.083 10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.987 -0.770 11.617 1.00 0.00 H new ATOM 136 N GLY A 12 0.579 -3.011 8.101 1.00 0.00 N ATOM 137 CA GLY A 12 0.664 -4.460 8.103 1.00 0.00 C ATOM 138 C GLY A 12 1.572 -4.989 7.011 1.00 0.00 C ATOM 139 O GLY A 12 1.962 -4.250 6.107 1.00 0.00 O ATOM 0 H GLY A 12 1.409 -2.533 7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.031 -4.798 9.072 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.334 -4.880 7.976 1.00 0.00 H new ATOM 143 N TRP A 13 1.912 -6.270 7.097 1.00 0.00 N ATOM 144 CA TRP A 13 2.783 -6.897 6.108 1.00 0.00 C ATOM 145 C TRP A 13 2.039 -7.132 4.799 1.00 0.00 C ATOM 146 O TRP A 13 1.007 -7.803 4.773 1.00 0.00 O ATOM 147 CB TRP A 13 3.328 -8.221 6.645 1.00 0.00 C ATOM 148 CG TRP A 13 4.241 -8.054 7.822 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.898 -8.121 9.142 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.648 -7.790 7.784 1.00 0.00 C ATOM 151 NE1 TRP A 13 5.006 -7.915 9.927 1.00 0.00 N ATOM 152 CE2 TRP A 13 6.093 -7.711 9.119 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.575 -7.615 6.754 1.00 0.00 C ATOM 154 CZ2 TRP A 13 7.423 -7.463 9.446 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.895 -7.369 7.080 1.00 0.00 C ATOM 156 CH2 TRP A 13 8.310 -7.295 8.417 1.00 0.00 C ATOM 0 H TRP A 13 1.599 -6.895 7.840 1.00 0.00 H new ATOM 0 HA TRP A 13 3.616 -6.222 5.914 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.493 -8.861 6.930 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.865 -8.735 5.848 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.902 -8.308 9.514 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.018 -7.914 10.947 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.265 -7.671 5.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.744 -7.405 10.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.620 -7.231 6.291 1.00 0.00 H new ATOM 0 HH2 TRP A 13 9.349 -7.102 8.639 1.00 0.00 H new ATOM 167 N MET A 14 2.568 -6.577 3.714 1.00 0.00 N ATOM 168 CA MET A 14 1.953 -6.730 2.400 1.00 0.00 C ATOM 169 C MET A 14 2.989 -7.146 1.360 1.00 0.00 C ATOM 170 O MET A 14 4.178 -6.861 1.504 1.00 0.00 O ATOM 171 CB MET A 14 1.281 -5.423 1.973 1.00 0.00 C ATOM 172 CG MET A 14 0.367 -5.576 0.769 1.00 0.00 C ATOM 173 SD MET A 14 -1.104 -6.553 1.133 1.00 0.00 S ATOM 174 CE MET A 14 -2.337 -5.264 1.294 1.00 0.00 C ATOM 0 H MET A 14 3.421 -6.017 3.718 1.00 0.00 H new ATOM 0 HA MET A 14 1.198 -7.513 2.468 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.703 -5.030 2.810 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.051 -4.686 1.743 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.065 -4.589 0.419 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.919 -6.047 -0.044 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.305 -5.712 1.520 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.053 -4.588 2.100 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.405 -4.707 0.360 1.00 0.00 H new ATOM 184 N VAL A 15 2.529 -7.822 0.312 1.00 0.00 N ATOM 185 CA VAL A 15 3.416 -8.277 -0.752 1.00 0.00 C ATOM 186 C VAL A 15 3.115 -7.559 -2.063 1.00 0.00 C ATOM 187 O VAL A 15 1.956 -7.298 -2.389 1.00 0.00 O ATOM 188 CB VAL A 15 3.294 -9.797 -0.973 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.822 -10.556 0.235 1.00 0.00 C ATOM 190 CG2 VAL A 15 1.851 -10.179 -1.265 1.00 0.00 C ATOM 0 H VAL A 15 1.548 -8.066 0.177 1.00 0.00 H new ATOM 0 HA VAL A 15 4.433 -8.043 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 15 3.899 -10.071 -1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.728 -11.628 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.871 -10.305 0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.246 -10.280 1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.784 -11.256 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.221 -9.892 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.513 -9.663 -2.163 1.00 0.00 H new ATOM 200 N HIS A 16 4.166 -7.241 -2.812 1.00 0.00 N ATOM 201 CA HIS A 16 4.014 -6.553 -4.089 1.00 0.00 C ATOM 202 C HIS A 16 5.177 -6.876 -5.022 1.00 0.00 C ATOM 203 O HIS A 16 6.267 -7.230 -4.572 1.00 0.00 O ATOM 204 CB HIS A 16 3.924 -5.042 -3.871 1.00 0.00 C ATOM 205 CG HIS A 16 5.257 -4.382 -3.697 1.00 0.00 C ATOM 206 ND1 HIS A 16 5.958 -4.402 -2.509 1.00 0.00 N ATOM 207 CD2 HIS A 16 6.019 -3.681 -4.569 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.092 -3.741 -2.658 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.154 -3.294 -3.899 1.00 0.00 N ATOM 0 H HIS A 16 5.132 -7.449 -2.557 1.00 0.00 H new ATOM 0 HA HIS A 16 3.091 -6.901 -4.553 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.412 -4.590 -4.721 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.313 -4.846 -2.990 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.779 -3.466 -5.600 1.00 0.00 H new ATOM 0 HE1 HIS A 16 7.841 -3.592 -1.895 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.920 -2.750 -4.296 1.00 0.00 H new ATOM 218 N TYR A 17 4.938 -6.752 -6.323 1.00 0.00 N ATOM 219 CA TYR A 17 5.964 -7.034 -7.319 1.00 0.00 C ATOM 220 C TYR A 17 5.919 -6.014 -8.452 1.00 0.00 C ATOM 221 O TYR A 17 4.983 -5.219 -8.552 1.00 0.00 O ATOM 222 CB TYR A 17 5.785 -8.445 -7.881 1.00 0.00 C ATOM 223 CG TYR A 17 4.349 -8.790 -8.206 1.00 0.00 C ATOM 224 CD1 TYR A 17 3.382 -8.834 -7.209 1.00 0.00 C ATOM 225 CD2 TYR A 17 3.959 -9.072 -9.510 1.00 0.00 C ATOM 226 CE1 TYR A 17 2.069 -9.149 -7.501 1.00 0.00 C ATOM 227 CE2 TYR A 17 2.648 -9.386 -9.811 1.00 0.00 C ATOM 228 CZ TYR A 17 1.707 -9.424 -8.804 1.00 0.00 C ATOM 229 OH TYR A 17 0.400 -9.738 -9.100 1.00 0.00 O ATOM 0 H TYR A 17 4.042 -6.458 -6.712 1.00 0.00 H new ATOM 0 HA TYR A 17 6.936 -6.965 -6.831 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.387 -8.547 -8.784 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.169 -9.166 -7.159 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.662 -8.618 -6.188 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.694 -9.045 -10.301 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.330 -9.180 -6.714 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.362 -9.601 -10.830 1.00 0.00 H new ATOM 0 HH TYR A 17 0.313 -9.903 -10.062 1.00 0.00 H new ATOM 239 N THR A 18 6.936 -6.042 -9.307 1.00 0.00 N ATOM 240 CA THR A 18 7.015 -5.121 -10.434 1.00 0.00 C ATOM 241 C THR A 18 6.585 -5.799 -11.730 1.00 0.00 C ATOM 242 O THR A 18 6.418 -7.018 -11.778 1.00 0.00 O ATOM 243 CB THR A 18 8.441 -4.565 -10.606 1.00 0.00 C ATOM 244 OG1 THR A 18 9.356 -5.635 -10.867 1.00 0.00 O ATOM 245 CG2 THR A 18 8.880 -3.806 -9.363 1.00 0.00 C ATOM 0 H THR A 18 7.718 -6.694 -9.240 1.00 0.00 H new ATOM 0 HA THR A 18 6.336 -4.297 -10.217 1.00 0.00 H new ATOM 0 HB THR A 18 8.439 -3.876 -11.450 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.861 -6.477 -10.946 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.890 -3.423 -9.508 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.199 -2.974 -9.185 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.866 -4.476 -8.504 1.00 0.00 H new ATOM 253 N SER A 19 6.410 -5.002 -12.779 1.00 0.00 N ATOM 254 CA SER A 19 5.997 -5.526 -14.076 1.00 0.00 C ATOM 255 C SER A 19 7.146 -6.265 -14.754 1.00 0.00 C ATOM 256 O SER A 19 7.059 -7.464 -15.017 1.00 0.00 O ATOM 257 CB SER A 19 5.504 -4.391 -14.975 1.00 0.00 C ATOM 258 OG SER A 19 4.747 -4.893 -16.062 1.00 0.00 O ATOM 0 H SER A 19 6.548 -3.992 -12.756 1.00 0.00 H new ATOM 0 HA SER A 19 5.181 -6.230 -13.913 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.895 -3.700 -14.392 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.356 -3.825 -15.352 1.00 0.00 H new ATOM 0 HG SER A 19 4.442 -4.147 -16.620 1.00 0.00 H new ATOM 264 N ARG A 20 8.223 -5.539 -15.036 1.00 0.00 N ATOM 265 CA ARG A 20 9.391 -6.124 -15.685 1.00 0.00 C ATOM 266 C ARG A 20 9.676 -7.518 -15.136 1.00 0.00 C ATOM 267 O ARG A 20 9.778 -8.485 -15.892 1.00 0.00 O ATOM 268 CB ARG A 20 10.614 -5.226 -15.487 1.00 0.00 C ATOM 269 CG ARG A 20 11.677 -5.401 -16.560 1.00 0.00 C ATOM 270 CD ARG A 20 12.833 -4.433 -16.361 1.00 0.00 C ATOM 271 NE ARG A 20 13.933 -4.697 -17.285 1.00 0.00 N ATOM 272 CZ ARG A 20 13.925 -4.329 -18.561 1.00 0.00 C ATOM 273 NH1 ARG A 20 12.881 -3.684 -19.062 1.00 0.00 N ATOM 274 NH2 ARG A 20 14.964 -4.605 -19.339 1.00 0.00 N ATOM 0 H ARG A 20 8.311 -4.545 -14.825 1.00 0.00 H new ATOM 0 HA ARG A 20 9.179 -6.208 -16.751 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.292 -4.185 -15.473 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.055 -5.436 -14.513 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.051 -6.425 -16.540 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.233 -5.243 -17.543 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.479 -3.412 -16.501 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.195 -4.507 -15.336 1.00 0.00 H new ATOM 0 HE ARG A 20 14.752 -5.191 -16.931 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.081 -3.469 -18.467 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.878 -3.403 -20.042 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.770 -5.100 -18.957 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.957 -4.322 -20.319 1.00 0.00 H new ATOM 288 N ASP A 21 9.805 -7.614 -13.817 1.00 0.00 N ATOM 289 CA ASP A 21 10.078 -8.891 -13.167 1.00 0.00 C ATOM 290 C ASP A 21 9.033 -9.190 -12.097 1.00 0.00 C ATOM 291 O ASP A 21 8.472 -8.279 -11.490 1.00 0.00 O ATOM 292 CB ASP A 21 11.475 -8.881 -12.544 1.00 0.00 C ATOM 293 CG ASP A 21 11.984 -10.277 -12.241 1.00 0.00 C ATOM 294 OD1 ASP A 21 11.250 -11.045 -11.585 1.00 0.00 O ATOM 295 OD2 ASP A 21 13.115 -10.600 -12.659 1.00 0.00 O ATOM 0 H ASP A 21 9.725 -6.824 -13.177 1.00 0.00 H new ATOM 0 HA ASP A 21 10.031 -9.674 -13.924 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.169 -8.384 -13.222 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.455 -8.297 -11.624 1.00 0.00 H new ATOM 300 N ASN A 22 8.775 -10.475 -11.872 1.00 0.00 N ATOM 301 CA ASN A 22 7.795 -10.895 -10.877 1.00 0.00 C ATOM 302 C ASN A 22 8.458 -11.116 -9.521 1.00 0.00 C ATOM 303 O ASN A 22 8.215 -12.124 -8.855 1.00 0.00 O ATOM 304 CB ASN A 22 7.095 -12.177 -11.330 1.00 0.00 C ATOM 305 CG ASN A 22 6.095 -11.928 -12.442 1.00 0.00 C ATOM 306 OD1 ASN A 22 5.335 -10.960 -12.403 1.00 0.00 O ATOM 307 ND2 ASN A 22 6.091 -12.803 -13.441 1.00 0.00 N ATOM 0 H ASN A 22 9.231 -11.243 -12.365 1.00 0.00 H new ATOM 0 HA ASN A 22 7.055 -10.102 -10.775 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.842 -12.894 -11.671 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.584 -12.628 -10.480 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.440 -12.687 -14.218 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.739 -13.591 -13.432 1.00 0.00 H new ATOM 314 N LEU A 23 9.296 -10.167 -9.116 1.00 0.00 N ATOM 315 CA LEU A 23 9.994 -10.257 -7.839 1.00 0.00 C ATOM 316 C LEU A 23 9.102 -9.783 -6.696 1.00 0.00 C ATOM 317 O LEU A 23 9.021 -8.587 -6.414 1.00 0.00 O ATOM 318 CB LEU A 23 11.278 -9.426 -7.877 1.00 0.00 C ATOM 319 CG LEU A 23 12.417 -9.909 -6.978 1.00 0.00 C ATOM 320 CD1 LEU A 23 12.056 -9.720 -5.512 1.00 0.00 C ATOM 321 CD2 LEU A 23 12.743 -11.367 -7.266 1.00 0.00 C ATOM 0 H LEU A 23 9.508 -9.327 -9.654 1.00 0.00 H new ATOM 0 HA LEU A 23 10.250 -11.302 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.640 -9.399 -8.905 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.032 -8.401 -7.599 1.00 0.00 H new ATOM 0 HG LEU A 23 13.303 -9.311 -7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.878 -10.069 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.874 -8.663 -5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.157 -10.292 -5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.556 -11.693 -6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.861 -11.981 -7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.046 -11.473 -8.308 1.00 0.00 H new ATOM 333 N ARG A 24 8.437 -10.728 -6.040 1.00 0.00 N ATOM 334 CA ARG A 24 7.551 -10.407 -4.927 1.00 0.00 C ATOM 335 C ARG A 24 8.351 -9.948 -3.711 1.00 0.00 C ATOM 336 O ARG A 24 9.335 -10.580 -3.328 1.00 0.00 O ATOM 337 CB ARG A 24 6.697 -11.621 -4.561 1.00 0.00 C ATOM 338 CG ARG A 24 5.601 -11.313 -3.553 1.00 0.00 C ATOM 339 CD ARG A 24 4.715 -12.524 -3.307 1.00 0.00 C ATOM 340 NE ARG A 24 4.056 -12.978 -4.529 1.00 0.00 N ATOM 341 CZ ARG A 24 4.619 -13.802 -5.404 1.00 0.00 C ATOM 342 NH1 ARG A 24 5.845 -14.261 -5.194 1.00 0.00 N ATOM 343 NH2 ARG A 24 3.956 -14.170 -6.493 1.00 0.00 N ATOM 0 H ARG A 24 8.495 -11.722 -6.260 1.00 0.00 H new ATOM 0 HA ARG A 24 6.897 -9.593 -5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.243 -12.022 -5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.343 -12.400 -4.156 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.049 -10.992 -2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.994 -10.484 -3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.316 -13.335 -2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.961 -12.276 -2.560 1.00 0.00 H new ATOM 0 HE ARG A 24 3.112 -12.644 -4.720 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.358 -13.981 -4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.275 -14.894 -5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.012 -13.820 -6.658 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.390 -14.803 -7.165 1.00 0.00 H new ATOM 357 N LYS A 25 7.922 -8.844 -3.110 1.00 0.00 N ATOM 358 CA LYS A 25 8.596 -8.300 -1.937 1.00 0.00 C ATOM 359 C LYS A 25 7.616 -8.115 -0.783 1.00 0.00 C ATOM 360 O LYS A 25 6.584 -7.458 -0.931 1.00 0.00 O ATOM 361 CB LYS A 25 9.257 -6.963 -2.278 1.00 0.00 C ATOM 362 CG LYS A 25 10.636 -7.107 -2.900 1.00 0.00 C ATOM 363 CD LYS A 25 11.239 -5.755 -3.239 1.00 0.00 C ATOM 364 CE LYS A 25 12.759 -5.809 -3.252 1.00 0.00 C ATOM 365 NZ LYS A 25 13.316 -6.051 -1.892 1.00 0.00 N ATOM 0 H LYS A 25 7.110 -8.308 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 25 9.363 -9.010 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.613 -6.414 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.338 -6.365 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.293 -7.637 -2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.567 -7.712 -3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.877 -5.429 -4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.907 -5.015 -2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.089 -6.600 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.153 -4.871 -3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.284 -5.675 -1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.722 -5.574 -1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.331 -7.073 -1.700 1.00 0.00 H new ATOM 379 N ARG A 26 7.945 -8.695 0.366 1.00 0.00 N ATOM 380 CA ARG A 26 7.093 -8.593 1.545 1.00 0.00 C ATOM 381 C ARG A 26 7.682 -7.616 2.559 1.00 0.00 C ATOM 382 O ARG A 26 8.818 -7.778 3.005 1.00 0.00 O ATOM 383 CB ARG A 26 6.914 -9.968 2.192 1.00 0.00 C ATOM 384 CG ARG A 26 6.205 -9.922 3.535 1.00 0.00 C ATOM 385 CD ARG A 26 6.068 -11.310 4.141 1.00 0.00 C ATOM 386 NE ARG A 26 7.358 -11.858 4.550 1.00 0.00 N ATOM 387 CZ ARG A 26 7.498 -13.022 5.175 1.00 0.00 C ATOM 388 NH1 ARG A 26 6.431 -13.757 5.461 1.00 0.00 N ATOM 389 NH2 ARG A 26 8.705 -13.454 5.515 1.00 0.00 N ATOM 0 H ARG A 26 8.795 -9.241 0.506 1.00 0.00 H new ATOM 0 HA ARG A 26 6.120 -8.218 1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.349 -10.608 1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.893 -10.428 2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.759 -9.279 4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.217 -9.479 3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.403 -11.265 5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.604 -11.978 3.416 1.00 0.00 H new ATOM 0 HE ARG A 26 8.198 -11.317 4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.501 -13.429 5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.541 -14.650 5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.528 -12.892 5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.810 -14.348 5.995 1.00 0.00 H new ATOM 403 N HIS A 27 6.902 -6.601 2.917 1.00 0.00 N ATOM 404 CA HIS A 27 7.346 -5.598 3.878 1.00 0.00 C ATOM 405 C HIS A 27 6.167 -5.050 4.676 1.00 0.00 C ATOM 406 O HIS A 27 5.016 -5.152 4.251 1.00 0.00 O ATOM 407 CB HIS A 27 8.065 -4.456 3.159 1.00 0.00 C ATOM 408 CG HIS A 27 9.219 -4.909 2.319 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.349 -4.591 0.984 1.00 0.00 N ATOM 410 CD2 HIS A 27 10.301 -5.659 2.633 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.460 -5.127 0.512 1.00 0.00 C ATOM 412 NE2 HIS A 27 11.057 -5.781 1.493 1.00 0.00 N ATOM 0 H HIS A 27 5.960 -6.451 2.556 1.00 0.00 H new ATOM 0 HA HIS A 27 8.039 -6.076 4.570 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.351 -3.929 2.526 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.424 -3.741 3.899 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.528 -6.083 3.600 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.819 -5.045 -0.503 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.936 -6.293 1.416 1.00 0.00 H new ATOM 421 N TYR A 28 6.461 -4.470 5.834 1.00 0.00 N ATOM 422 CA TYR A 28 5.424 -3.910 6.693 1.00 0.00 C ATOM 423 C TYR A 28 4.824 -2.652 6.073 1.00 0.00 C ATOM 424 O TYR A 28 5.174 -1.533 6.448 1.00 0.00 O ATOM 425 CB TYR A 28 5.997 -3.587 8.074 1.00 0.00 C ATOM 426 CG TYR A 28 4.939 -3.367 9.132 1.00 0.00 C ATOM 427 CD1 TYR A 28 4.283 -4.441 9.721 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.596 -2.085 9.544 1.00 0.00 C ATOM 429 CE1 TYR A 28 3.315 -4.245 10.687 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.631 -1.879 10.510 1.00 0.00 C ATOM 431 CZ TYR A 28 2.993 -2.962 11.078 1.00 0.00 C ATOM 432 OH TYR A 28 2.030 -2.762 12.041 1.00 0.00 O ATOM 0 H TYR A 28 7.408 -4.375 6.200 1.00 0.00 H new ATOM 0 HA TYR A 28 4.634 -4.654 6.799 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.649 -4.403 8.388 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.617 -2.694 8.001 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.534 -5.447 9.418 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.093 -1.235 9.101 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.814 -5.091 11.133 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.377 -0.876 10.819 1.00 0.00 H new ATOM 0 HH TYR A 28 2.312 -2.040 12.640 1.00 0.00 H new ATOM 442 N TRP A 29 3.918 -2.844 5.121 1.00 0.00 N ATOM 443 CA TRP A 29 3.267 -1.726 4.448 1.00 0.00 C ATOM 444 C TRP A 29 2.520 -0.849 5.447 1.00 0.00 C ATOM 445 O TRP A 29 1.648 -1.325 6.173 1.00 0.00 O ATOM 446 CB TRP A 29 2.301 -2.240 3.379 1.00 0.00 C ATOM 447 CG TRP A 29 2.953 -2.468 2.049 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.143 -3.096 1.817 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.451 -2.069 0.769 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.412 -3.111 0.469 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.389 -2.488 -0.195 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.301 -1.401 0.343 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.210 -2.259 -1.557 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.124 -1.173 -1.009 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.074 -1.601 -1.945 1.00 0.00 C ATOM 0 H TRP A 29 3.617 -3.764 4.798 1.00 0.00 H new ATOM 0 HA TRP A 29 4.039 -1.123 3.970 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.855 -3.174 3.722 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.488 -1.523 3.259 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.779 -3.519 2.580 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.239 -3.520 0.034 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.563 -1.068 1.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.941 -2.589 -2.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.239 -0.656 -1.349 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.907 -1.408 -2.994 1.00 0.00 H new ATOM 466 N ARG A 30 2.869 0.433 5.478 1.00 0.00 N ATOM 467 CA ARG A 30 2.231 1.376 6.389 1.00 0.00 C ATOM 468 C ARG A 30 1.701 2.590 5.632 1.00 0.00 C ATOM 469 O ARG A 30 2.426 3.219 4.860 1.00 0.00 O ATOM 470 CB ARG A 30 3.220 1.825 7.466 1.00 0.00 C ATOM 471 CG ARG A 30 2.587 2.665 8.563 1.00 0.00 C ATOM 472 CD ARG A 30 3.334 2.519 9.879 1.00 0.00 C ATOM 473 NE ARG A 30 4.649 3.153 9.835 1.00 0.00 N ATOM 474 CZ ARG A 30 4.831 4.469 9.857 1.00 0.00 C ATOM 475 NH1 ARG A 30 3.788 5.285 9.923 1.00 0.00 N ATOM 476 NH2 ARG A 30 6.059 4.971 9.814 1.00 0.00 N ATOM 0 H ARG A 30 3.590 0.842 4.883 1.00 0.00 H new ATOM 0 HA ARG A 30 1.390 0.871 6.865 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.680 0.944 7.914 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.019 2.398 6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.580 3.713 8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.548 2.365 8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.745 2.962 10.682 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.449 1.461 10.115 1.00 0.00 H new ATOM 0 HE ARG A 30 5.472 2.553 9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.843 4.903 9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.931 6.295 9.940 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.864 4.346 9.764 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.198 5.981 9.831 1.00 0.00 H new ATOM 490 N LEU A 31 0.432 2.913 5.858 1.00 0.00 N ATOM 491 CA LEU A 31 -0.196 4.052 5.197 1.00 0.00 C ATOM 492 C LEU A 31 -0.753 5.036 6.220 1.00 0.00 C ATOM 493 O LEU A 31 -1.377 4.638 7.204 1.00 0.00 O ATOM 494 CB LEU A 31 -1.316 3.574 4.270 1.00 0.00 C ATOM 495 CG LEU A 31 -2.286 4.650 3.780 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.558 5.675 2.924 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.432 4.020 3.002 1.00 0.00 C ATOM 0 H LEU A 31 -0.182 2.403 6.493 1.00 0.00 H new ATOM 0 HA LEU A 31 0.564 4.563 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.863 3.098 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.889 2.806 4.791 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.701 5.161 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.264 6.433 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.773 6.149 3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.115 5.179 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.112 4.800 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.035 3.483 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.971 3.325 3.646 1.00 0.00 H new ATOM 509 N ASP A 32 -0.525 6.323 5.981 1.00 0.00 N ATOM 510 CA ASP A 32 -1.006 7.365 6.880 1.00 0.00 C ATOM 511 C ASP A 32 -1.719 8.467 6.102 1.00 0.00 C ATOM 512 O ASP A 32 -1.869 8.382 4.883 1.00 0.00 O ATOM 513 CB ASP A 32 0.156 7.957 7.678 1.00 0.00 C ATOM 514 CG ASP A 32 1.119 6.895 8.172 1.00 0.00 C ATOM 515 OD1 ASP A 32 0.652 5.804 8.559 1.00 0.00 O ATOM 516 OD2 ASP A 32 2.340 7.156 8.171 1.00 0.00 O ATOM 0 H ASP A 32 -0.010 6.669 5.172 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.718 6.914 7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.695 8.670 7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.237 8.512 8.530 1.00 0.00 H new ATOM 521 N SER A 33 -2.156 9.500 6.815 1.00 0.00 N ATOM 522 CA SER A 33 -2.857 10.617 6.192 1.00 0.00 C ATOM 523 C SER A 33 -1.879 11.536 5.468 1.00 0.00 C ATOM 524 O SER A 33 -2.264 12.579 4.939 1.00 0.00 O ATOM 525 CB SER A 33 -3.635 11.409 7.245 1.00 0.00 C ATOM 526 OG SER A 33 -4.692 12.144 6.652 1.00 0.00 O ATOM 0 H SER A 33 -2.037 9.587 7.824 1.00 0.00 H new ATOM 0 HA SER A 33 -3.557 10.213 5.461 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.038 10.727 7.994 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.961 12.090 7.764 1.00 0.00 H new ATOM 0 HG SER A 33 -4.367 12.586 5.840 1.00 0.00 H new ATOM 532 N LYS A 34 -0.610 11.142 5.449 1.00 0.00 N ATOM 533 CA LYS A 34 0.426 11.929 4.789 1.00 0.00 C ATOM 534 C LYS A 34 0.967 11.198 3.565 1.00 0.00 C ATOM 535 O LYS A 34 0.755 11.627 2.430 1.00 0.00 O ATOM 536 CB LYS A 34 1.567 12.226 5.764 1.00 0.00 C ATOM 537 CG LYS A 34 2.742 12.946 5.124 1.00 0.00 C ATOM 538 CD LYS A 34 2.561 14.454 5.165 1.00 0.00 C ATOM 539 CE LYS A 34 3.113 15.047 6.453 1.00 0.00 C ATOM 540 NZ LYS A 34 3.247 16.528 6.369 1.00 0.00 N ATOM 0 H LYS A 34 -0.274 10.282 5.883 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.019 12.869 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.184 12.832 6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.918 11.289 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.662 12.675 5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.850 12.620 4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.065 14.905 4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.502 14.697 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.455 14.788 7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.086 14.606 6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.626 16.894 7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.894 16.775 5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.314 16.951 6.189 1.00 0.00 H new ATOM 554 N CYS A 35 1.664 10.092 3.802 1.00 0.00 N ATOM 555 CA CYS A 35 2.235 9.301 2.717 1.00 0.00 C ATOM 556 C CYS A 35 2.477 7.863 3.163 1.00 0.00 C ATOM 557 O CYS A 35 2.520 7.571 4.359 1.00 0.00 O ATOM 558 CB CYS A 35 3.545 9.927 2.236 1.00 0.00 C ATOM 559 SG CYS A 35 4.589 10.567 3.566 1.00 0.00 S ATOM 0 H CYS A 35 1.847 9.723 4.735 1.00 0.00 H new ATOM 0 HA CYS A 35 1.522 9.291 1.892 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.107 9.181 1.674 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.315 10.739 1.546 1.00 0.00 H new ATOM 0 HG CYS A 35 5.674 11.074 3.060 1.00 0.00 H new ATOM 565 N LEU A 36 2.635 6.967 2.194 1.00 0.00 N ATOM 566 CA LEU A 36 2.872 5.558 2.486 1.00 0.00 C ATOM 567 C LEU A 36 4.355 5.292 2.720 1.00 0.00 C ATOM 568 O LEU A 36 5.214 5.883 2.064 1.00 0.00 O ATOM 569 CB LEU A 36 2.360 4.686 1.338 1.00 0.00 C ATOM 570 CG LEU A 36 2.545 3.177 1.507 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.337 2.565 2.198 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.783 2.515 0.158 1.00 0.00 C ATOM 0 H LEU A 36 2.603 7.192 1.200 1.00 0.00 H new ATOM 0 HA LEU A 36 2.329 5.305 3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.298 4.888 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.864 4.993 0.422 1.00 0.00 H new ATOM 0 HG LEU A 36 3.421 3.005 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.487 1.491 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.212 3.018 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.445 2.747 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.913 1.442 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.927 2.696 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.680 2.932 -0.299 1.00 0.00 H new ATOM 584 N THR A 37 4.651 4.397 3.658 1.00 0.00 N ATOM 585 CA THR A 37 6.030 4.052 3.977 1.00 0.00 C ATOM 586 C THR A 37 6.191 2.548 4.167 1.00 0.00 C ATOM 587 O THR A 37 5.359 1.900 4.803 1.00 0.00 O ATOM 588 CB THR A 37 6.509 4.773 5.252 1.00 0.00 C ATOM 589 OG1 THR A 37 5.834 6.028 5.387 1.00 0.00 O ATOM 590 CG2 THR A 37 8.012 5.001 5.212 1.00 0.00 C ATOM 0 H THR A 37 3.953 3.898 4.210 1.00 0.00 H new ATOM 0 HA THR A 37 6.640 4.376 3.134 1.00 0.00 H new ATOM 0 HB THR A 37 6.276 4.142 6.110 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.142 6.480 6.200 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.327 5.511 6.122 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.524 4.041 5.138 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.264 5.614 4.347 1.00 0.00 H new ATOM 598 N LEU A 38 7.265 1.998 3.611 1.00 0.00 N ATOM 599 CA LEU A 38 7.536 0.569 3.720 1.00 0.00 C ATOM 600 C LEU A 38 8.730 0.308 4.633 1.00 0.00 C ATOM 601 O LEU A 38 9.616 1.152 4.769 1.00 0.00 O ATOM 602 CB LEU A 38 7.797 -0.027 2.336 1.00 0.00 C ATOM 603 CG LEU A 38 6.560 -0.431 1.534 1.00 0.00 C ATOM 604 CD1 LEU A 38 5.787 0.800 1.089 1.00 0.00 C ATOM 605 CD2 LEU A 38 6.955 -1.278 0.333 1.00 0.00 C ATOM 0 H LEU A 38 7.962 2.520 3.080 1.00 0.00 H new ATOM 0 HA LEU A 38 6.659 0.090 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.363 0.698 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.431 -0.906 2.455 1.00 0.00 H new ATOM 0 HG LEU A 38 5.913 -1.028 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.910 0.493 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.471 1.367 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.425 1.424 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.061 -1.556 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.623 -0.706 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.464 -2.179 0.675 1.00 0.00 H new ATOM 617 N PHE A 39 8.748 -0.866 5.254 1.00 0.00 N ATOM 618 CA PHE A 39 9.834 -1.239 6.153 1.00 0.00 C ATOM 619 C PHE A 39 10.444 -2.576 5.744 1.00 0.00 C ATOM 620 O PHE A 39 9.749 -3.589 5.666 1.00 0.00 O ATOM 621 CB PHE A 39 9.327 -1.317 7.595 1.00 0.00 C ATOM 622 CG PHE A 39 9.246 0.020 8.275 1.00 0.00 C ATOM 623 CD1 PHE A 39 8.244 0.919 7.947 1.00 0.00 C ATOM 624 CD2 PHE A 39 10.172 0.378 9.241 1.00 0.00 C ATOM 625 CE1 PHE A 39 8.166 2.150 8.571 1.00 0.00 C ATOM 626 CE2 PHE A 39 10.100 1.607 9.869 1.00 0.00 C ATOM 627 CZ PHE A 39 9.096 2.495 9.533 1.00 0.00 C ATOM 0 H PHE A 39 8.023 -1.576 5.151 1.00 0.00 H new ATOM 0 HA PHE A 39 10.606 -0.472 6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.340 -1.779 7.600 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.986 -1.968 8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.515 0.655 7.195 1.00 0.00 H new ATOM 0 HD2 PHE A 39 10.960 -0.312 9.507 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.379 2.841 8.307 1.00 0.00 H new ATOM 0 HE2 PHE A 39 10.828 1.873 10.621 1.00 0.00 H new ATOM 0 HZ PHE A 39 9.038 3.457 10.021 1.00 0.00 H new ATOM 637 N GLN A 40 11.747 -2.570 5.483 1.00 0.00 N ATOM 638 CA GLN A 40 12.451 -3.782 5.080 1.00 0.00 C ATOM 639 C GLN A 40 12.093 -4.949 5.994 1.00 0.00 C ATOM 640 O GLN A 40 11.796 -6.047 5.527 1.00 0.00 O ATOM 641 CB GLN A 40 13.963 -3.549 5.098 1.00 0.00 C ATOM 642 CG GLN A 40 14.746 -4.576 4.297 1.00 0.00 C ATOM 643 CD GLN A 40 14.797 -4.246 2.818 1.00 0.00 C ATOM 644 OE1 GLN A 40 14.103 -4.863 2.009 1.00 0.00 O ATOM 645 NE2 GLN A 40 15.621 -3.269 2.456 1.00 0.00 N ATOM 0 H GLN A 40 12.337 -1.740 5.543 1.00 0.00 H new ATOM 0 HA GLN A 40 12.141 -4.031 4.065 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.174 -2.555 4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.312 -3.563 6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.762 -4.638 4.687 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.293 -5.558 4.431 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.178 -2.784 3.160 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.697 -3.004 1.474 1.00 0.00 H new ATOM 654 N ASN A 41 12.124 -4.702 7.300 1.00 0.00 N ATOM 655 CA ASN A 41 11.804 -5.733 8.280 1.00 0.00 C ATOM 656 C ASN A 41 11.226 -5.115 9.550 1.00 0.00 C ATOM 657 O ASN A 41 11.183 -3.894 9.694 1.00 0.00 O ATOM 658 CB ASN A 41 13.053 -6.549 8.620 1.00 0.00 C ATOM 659 CG ASN A 41 13.306 -7.661 7.620 1.00 0.00 C ATOM 660 OD1 ASN A 41 12.370 -8.247 7.077 1.00 0.00 O ATOM 661 ND2 ASN A 41 14.577 -7.955 7.373 1.00 0.00 N ATOM 0 H ASN A 41 12.367 -3.797 7.703 1.00 0.00 H new ATOM 0 HA ASN A 41 11.054 -6.393 7.844 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.919 -5.888 8.651 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.944 -6.978 9.616 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.810 -8.694 6.709 1.00 0.00 H new ATOM 0 HD22 ASN A 41 15.320 -7.442 7.847 1.00 0.00 H new ATOM 755 N TYR A 48 12.433 1.064 3.585 1.00 0.00 N ATOM 756 CA TYR A 48 12.724 0.558 2.249 1.00 0.00 C ATOM 757 C TYR A 48 12.454 1.625 1.192 1.00 0.00 C ATOM 758 O TYR A 48 13.364 2.062 0.487 1.00 0.00 O ATOM 759 CB TYR A 48 11.885 -0.687 1.958 1.00 0.00 C ATOM 760 CG TYR A 48 11.898 -1.100 0.504 1.00 0.00 C ATOM 761 CD1 TYR A 48 11.024 -0.525 -0.410 1.00 0.00 C ATOM 762 CD2 TYR A 48 12.785 -2.065 0.044 1.00 0.00 C ATOM 763 CE1 TYR A 48 11.032 -0.900 -1.740 1.00 0.00 C ATOM 764 CE2 TYR A 48 12.802 -2.446 -1.284 1.00 0.00 C ATOM 765 CZ TYR A 48 11.923 -1.860 -2.172 1.00 0.00 C ATOM 766 OH TYR A 48 11.935 -2.236 -3.496 1.00 0.00 O ATOM 0 HA TYR A 48 13.781 0.293 2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.254 -1.514 2.565 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.856 -0.501 2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.326 0.228 -0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.474 -2.526 0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.345 -0.444 -2.437 1.00 0.00 H new ATOM 0 HE2 TYR A 48 13.499 -3.198 -1.625 1.00 0.00 H new ATOM 0 HH TYR A 48 12.759 -2.731 -3.688 1.00 0.00 H new ATOM 776 N LYS A 49 11.197 2.040 1.088 1.00 0.00 N ATOM 777 CA LYS A 49 10.804 3.057 0.119 1.00 0.00 C ATOM 778 C LYS A 49 9.503 3.734 0.538 1.00 0.00 C ATOM 779 O LYS A 49 8.581 3.079 1.023 1.00 0.00 O ATOM 780 CB LYS A 49 10.643 2.434 -1.269 1.00 0.00 C ATOM 781 CG LYS A 49 10.922 3.401 -2.406 1.00 0.00 C ATOM 782 CD LYS A 49 10.812 2.718 -3.759 1.00 0.00 C ATOM 783 CE LYS A 49 12.006 1.813 -4.024 1.00 0.00 C ATOM 784 NZ LYS A 49 13.208 2.587 -4.438 1.00 0.00 N ATOM 0 H LYS A 49 10.432 1.688 1.663 1.00 0.00 H new ATOM 0 HA LYS A 49 11.590 3.811 0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.316 1.581 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.628 2.051 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.218 4.232 -2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.921 3.822 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.894 2.132 -3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.743 3.471 -4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.235 1.241 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.751 1.094 -4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.999 1.934 -4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.999 3.113 -5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.467 3.255 -3.684 1.00 0.00 H new ATOM 798 N GLU A 50 9.436 5.048 0.346 1.00 0.00 N ATOM 799 CA GLU A 50 8.247 5.812 0.704 1.00 0.00 C ATOM 800 C GLU A 50 7.424 6.149 -0.536 1.00 0.00 C ATOM 801 O GLU A 50 7.951 6.661 -1.523 1.00 0.00 O ATOM 802 CB GLU A 50 8.640 7.098 1.434 1.00 0.00 C ATOM 803 CG GLU A 50 9.798 7.837 0.784 1.00 0.00 C ATOM 804 CD GLU A 50 9.802 9.318 1.111 1.00 0.00 C ATOM 805 OE1 GLU A 50 8.794 9.993 0.814 1.00 0.00 O ATOM 806 OE2 GLU A 50 10.812 9.802 1.663 1.00 0.00 O ATOM 0 H GLU A 50 10.191 5.605 -0.055 1.00 0.00 H new ATOM 0 HA GLU A 50 7.638 5.198 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.775 7.760 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.907 6.855 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.738 7.394 1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.746 7.708 -0.297 1.00 0.00 H new ATOM 813 N ILE A 51 6.129 5.859 -0.476 1.00 0.00 N ATOM 814 CA ILE A 51 5.232 6.131 -1.592 1.00 0.00 C ATOM 815 C ILE A 51 4.206 7.198 -1.226 1.00 0.00 C ATOM 816 O ILE A 51 3.146 6.910 -0.671 1.00 0.00 O ATOM 817 CB ILE A 51 4.493 4.858 -2.045 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.497 3.764 -2.415 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.580 5.167 -3.222 1.00 0.00 C ATOM 820 CD1 ILE A 51 4.857 2.417 -2.667 1.00 0.00 C ATOM 0 H ILE A 51 5.677 5.435 0.334 1.00 0.00 H new ATOM 0 HA ILE A 51 5.852 6.493 -2.413 1.00 0.00 H new ATOM 0 HB ILE A 51 3.880 4.498 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.043 4.070 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.227 3.666 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.064 4.258 -3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.847 5.917 -2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.174 5.548 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.628 1.690 -2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.334 2.089 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.147 2.500 -3.490 1.00 0.00 H new ATOM 832 N PRO A 52 4.526 8.461 -1.544 1.00 0.00 N ATOM 833 CA PRO A 52 3.644 9.597 -1.260 1.00 0.00 C ATOM 834 C PRO A 52 2.392 9.591 -2.131 1.00 0.00 C ATOM 835 O PRO A 52 2.444 9.230 -3.307 1.00 0.00 O ATOM 836 CB PRO A 52 4.516 10.813 -1.585 1.00 0.00 C ATOM 837 CG PRO A 52 5.511 10.312 -2.574 1.00 0.00 C ATOM 838 CD PRO A 52 5.774 8.878 -2.207 1.00 0.00 C ATOM 0 HA PRO A 52 3.276 9.581 -0.234 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.921 11.627 -1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.006 11.199 -0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.124 10.390 -3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.429 10.899 -2.536 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.984 8.270 -3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.633 8.784 -1.542 1.00 0.00 H new ATOM 846 N LEU A 53 1.269 9.993 -1.546 1.00 0.00 N ATOM 847 CA LEU A 53 0.003 10.035 -2.270 1.00 0.00 C ATOM 848 C LEU A 53 0.187 10.645 -3.655 1.00 0.00 C ATOM 849 O LEU A 53 -0.600 10.390 -4.566 1.00 0.00 O ATOM 850 CB LEU A 53 -1.032 10.838 -1.480 1.00 0.00 C ATOM 851 CG LEU A 53 -1.473 10.235 -0.145 1.00 0.00 C ATOM 852 CD1 LEU A 53 -2.330 11.224 0.630 1.00 0.00 C ATOM 853 CD2 LEU A 53 -2.229 8.934 -0.371 1.00 0.00 C ATOM 0 H LEU A 53 1.209 10.294 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.353 9.012 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.624 11.831 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.915 10.970 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.583 10.017 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.634 10.778 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.755 12.130 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.215 11.474 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.535 8.519 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.112 9.127 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.583 8.222 -0.884 1.00 0.00 H new ATOM 865 N SER A 54 1.233 11.451 -3.807 1.00 0.00 N ATOM 866 CA SER A 54 1.521 12.099 -5.081 1.00 0.00 C ATOM 867 C SER A 54 2.057 11.092 -6.094 1.00 0.00 C ATOM 868 O SER A 54 1.597 11.039 -7.235 1.00 0.00 O ATOM 869 CB SER A 54 2.532 13.230 -4.886 1.00 0.00 C ATOM 870 OG SER A 54 2.471 14.159 -5.955 1.00 0.00 O ATOM 0 H SER A 54 1.895 11.671 -3.063 1.00 0.00 H new ATOM 0 HA SER A 54 0.590 12.516 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.333 13.741 -3.944 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.538 12.815 -4.818 1.00 0.00 H new ATOM 0 HG SER A 54 3.126 14.873 -5.806 1.00 0.00 H new ATOM 876 N GLU A 55 3.031 10.295 -5.668 1.00 0.00 N ATOM 877 CA GLU A 55 3.631 9.290 -6.538 1.00 0.00 C ATOM 878 C GLU A 55 2.558 8.536 -7.318 1.00 0.00 C ATOM 879 O GLU A 55 2.563 8.525 -8.550 1.00 0.00 O ATOM 880 CB GLU A 55 4.466 8.305 -5.717 1.00 0.00 C ATOM 881 CG GLU A 55 5.487 7.538 -6.541 1.00 0.00 C ATOM 882 CD GLU A 55 6.649 7.034 -5.708 1.00 0.00 C ATOM 883 OE1 GLU A 55 7.492 7.862 -5.304 1.00 0.00 O ATOM 884 OE2 GLU A 55 6.717 5.812 -5.461 1.00 0.00 O ATOM 0 H GLU A 55 3.422 10.325 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 55 4.280 9.802 -7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.984 8.850 -4.928 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.799 7.595 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.997 6.692 -7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.866 8.182 -7.334 1.00 0.00 H new ATOM 891 N ILE A 56 1.640 7.906 -6.593 1.00 0.00 N ATOM 892 CA ILE A 56 0.560 7.151 -7.216 1.00 0.00 C ATOM 893 C ILE A 56 -0.228 8.019 -8.191 1.00 0.00 C ATOM 894 O ILE A 56 -0.806 9.036 -7.806 1.00 0.00 O ATOM 895 CB ILE A 56 -0.405 6.575 -6.163 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.356 5.700 -5.165 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.511 5.778 -6.838 1.00 0.00 C ATOM 898 CD1 ILE A 56 -0.419 5.412 -3.899 1.00 0.00 C ATOM 0 H ILE A 56 1.623 7.903 -5.573 1.00 0.00 H new ATOM 0 HA ILE A 56 1.024 6.328 -7.760 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.860 7.402 -5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.615 4.756 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.293 6.192 -4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.185 5.377 -6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.068 6.428 -7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.073 4.957 -7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.182 4.787 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.655 6.350 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.344 4.892 -4.149 1.00 0.00 H new ATOM 910 N LEU A 57 -0.248 7.611 -9.455 1.00 0.00 N ATOM 911 CA LEU A 57 -0.967 8.351 -10.486 1.00 0.00 C ATOM 912 C LEU A 57 -2.418 7.890 -10.575 1.00 0.00 C ATOM 913 O LEU A 57 -3.343 8.682 -10.396 1.00 0.00 O ATOM 914 CB LEU A 57 -0.279 8.174 -11.841 1.00 0.00 C ATOM 915 CG LEU A 57 1.073 8.868 -12.004 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.848 8.264 -13.164 1.00 0.00 C ATOM 917 CD2 LEU A 57 0.883 10.364 -12.208 1.00 0.00 C ATOM 0 H LEU A 57 0.225 6.772 -9.791 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.957 9.407 -10.215 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.141 7.108 -12.019 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.950 8.543 -12.617 1.00 0.00 H new ATOM 0 HG LEU A 57 1.650 8.716 -11.092 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.808 8.771 -13.264 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.016 7.204 -12.976 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.277 8.383 -14.085 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.856 10.842 -12.322 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.287 10.536 -13.104 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.370 10.787 -11.344 1.00 0.00 H new ATOM 929 N ARG A 58 -2.609 6.604 -10.851 1.00 0.00 N ATOM 930 CA ARG A 58 -3.948 6.037 -10.963 1.00 0.00 C ATOM 931 C ARG A 58 -3.910 4.519 -10.811 1.00 0.00 C ATOM 932 O ARG A 58 -2.862 3.895 -10.979 1.00 0.00 O ATOM 933 CB ARG A 58 -4.572 6.410 -12.309 1.00 0.00 C ATOM 934 CG ARG A 58 -6.092 6.384 -12.303 1.00 0.00 C ATOM 935 CD ARG A 58 -6.628 5.081 -12.876 1.00 0.00 C ATOM 936 NE ARG A 58 -6.465 5.012 -14.325 1.00 0.00 N ATOM 937 CZ ARG A 58 -7.235 5.670 -15.184 1.00 0.00 C ATOM 938 NH1 ARG A 58 -8.216 6.444 -14.742 1.00 0.00 N ATOM 939 NH2 ARG A 58 -7.023 5.555 -16.489 1.00 0.00 N ATOM 0 H ARG A 58 -1.854 5.935 -11.001 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.559 6.450 -10.160 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.235 7.407 -12.592 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.208 5.722 -13.072 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.455 6.511 -11.283 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.474 7.223 -12.885 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.110 4.241 -12.413 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.684 4.982 -12.625 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.718 4.426 -14.698 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.381 6.536 -13.740 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.806 6.948 -15.404 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.268 4.961 -16.833 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.615 6.061 -17.148 1.00 0.00 H new ATOM 953 N ILE A 59 -5.059 3.933 -10.492 1.00 0.00 N ATOM 954 CA ILE A 59 -5.156 2.489 -10.319 1.00 0.00 C ATOM 955 C ILE A 59 -5.631 1.812 -11.600 1.00 0.00 C ATOM 956 O ILE A 59 -6.741 2.061 -12.071 1.00 0.00 O ATOM 957 CB ILE A 59 -6.118 2.124 -9.172 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.721 2.859 -7.891 1.00 0.00 C ATOM 959 CG2 ILE A 59 -6.124 0.619 -8.945 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.249 2.744 -7.559 1.00 0.00 C ATOM 0 H ILE A 59 -5.935 4.435 -10.348 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.156 2.133 -10.072 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.125 2.435 -9.449 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.981 3.913 -7.991 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.305 2.464 -7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.808 0.376 -8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.449 0.115 -9.855 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.119 0.286 -8.685 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.040 3.289 -6.639 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.987 1.694 -7.427 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.659 3.166 -8.372 1.00 0.00 H new ATOM 972 N SER A 60 -4.783 0.953 -12.158 1.00 0.00 N ATOM 973 CA SER A 60 -5.115 0.241 -13.387 1.00 0.00 C ATOM 974 C SER A 60 -6.000 -0.966 -13.092 1.00 0.00 C ATOM 975 O SER A 60 -5.732 -1.737 -12.171 1.00 0.00 O ATOM 976 CB SER A 60 -3.839 -0.210 -14.100 1.00 0.00 C ATOM 977 OG SER A 60 -4.139 -1.061 -15.192 1.00 0.00 O ATOM 0 H SER A 60 -3.862 0.734 -11.779 1.00 0.00 H new ATOM 0 HA SER A 60 -5.664 0.923 -14.037 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.289 0.662 -14.455 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.190 -0.731 -13.396 1.00 0.00 H new ATOM 0 HG SER A 60 -3.307 -1.334 -15.632 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.720 -11.018 -8.393 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.643 -9.713 -7.746 1.00 0.00 C ATOM 1187 C HIS A 75 -5.019 -9.058 -7.679 1.00 0.00 C ATOM 1188 O HIS A 75 -6.017 -9.644 -8.101 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.669 -8.805 -8.497 1.00 0.00 C ATOM 1190 CG HIS A 75 -3.238 -8.228 -9.757 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -4.198 -8.869 -10.512 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -2.980 -7.061 -10.392 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -4.503 -8.122 -11.558 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -3.778 -7.019 -11.508 1.00 0.00 N ATOM 0 HA HIS A 75 -3.280 -9.860 -6.729 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.364 -7.991 -7.840 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.770 -9.372 -8.740 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -4.608 -9.778 -10.296 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.277 -6.303 -10.079 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.223 -8.371 -12.324 1.00 0.00 H new ATOM 1203 N CYS A 76 -5.065 -7.843 -7.146 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.320 -7.109 -7.022 1.00 0.00 C ATOM 1205 C CYS A 76 -6.248 -5.781 -7.768 1.00 0.00 C ATOM 1206 O CYS A 76 -7.182 -5.404 -8.477 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.647 -6.863 -5.548 1.00 0.00 C ATOM 1208 SG CYS A 76 -5.194 -6.649 -4.494 1.00 0.00 S ATOM 0 H CYS A 76 -4.248 -7.345 -6.793 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.112 -7.712 -7.466 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.273 -5.974 -5.470 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.234 -7.701 -5.173 1.00 0.00 H new ATOM 0 HG CYS A 76 -4.924 -5.383 -4.379 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.135 -5.074 -7.603 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.943 -3.786 -8.258 1.00 0.00 C ATOM 1216 C PHE A 77 -3.460 -3.508 -8.488 1.00 0.00 C ATOM 1217 O PHE A 77 -2.600 -4.251 -8.017 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.559 -2.665 -7.419 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.866 -2.450 -6.104 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -5.108 -3.295 -5.032 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.973 -1.404 -5.939 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.472 -3.101 -3.821 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -3.334 -1.205 -4.730 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.584 -2.054 -3.669 1.00 0.00 C ATOM 0 H PHE A 77 -4.352 -5.372 -7.021 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.443 -3.822 -9.226 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.532 -1.737 -7.991 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.608 -2.895 -7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.802 -4.115 -5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.774 -0.737 -6.764 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.669 -3.767 -2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.639 -0.386 -4.614 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.086 -1.899 -2.723 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.171 -2.433 -9.214 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.792 -2.058 -9.507 1.00 0.00 C ATOM 1236 C GLU A 78 -1.554 -0.581 -9.204 1.00 0.00 C ATOM 1237 O GLU A 78 -2.450 0.248 -9.365 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.461 -2.349 -10.972 1.00 0.00 C ATOM 1239 CG GLU A 78 -1.886 -3.735 -11.428 1.00 0.00 C ATOM 1240 CD GLU A 78 -3.385 -3.850 -11.625 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -3.898 -3.287 -12.615 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -4.046 -4.503 -10.790 1.00 0.00 O ATOM 0 H GLU A 78 -3.872 -1.807 -9.610 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.138 -2.652 -8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.948 -1.604 -11.601 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.387 -2.240 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.381 -3.977 -12.363 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.563 -4.471 -10.692 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.341 -0.262 -8.765 1.00 0.00 N ATOM 1250 CA ILE A 79 0.015 1.114 -8.441 1.00 0.00 C ATOM 1251 C ILE A 79 0.959 1.698 -9.486 1.00 0.00 C ATOM 1252 O ILE A 79 2.169 1.473 -9.439 1.00 0.00 O ATOM 1253 CB ILE A 79 0.678 1.212 -7.054 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.267 0.680 -5.974 1.00 0.00 C ATOM 1255 CG2 ILE A 79 1.075 2.650 -6.757 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.333 0.694 -4.586 1.00 0.00 C ATOM 0 H ILE A 79 0.411 -0.937 -8.626 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.912 1.687 -8.433 1.00 0.00 H new ATOM 0 HB ILE A 79 1.580 0.600 -7.055 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.178 1.278 -5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.556 -0.340 -6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.542 2.703 -5.774 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.780 2.996 -7.513 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.188 3.283 -6.772 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.392 0.304 -3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.228 0.072 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.596 1.716 -4.314 1.00 0.00 H new ATOM 1268 N ILE A 80 0.399 2.451 -10.426 1.00 0.00 N ATOM 1269 CA ILE A 80 1.192 3.071 -11.481 1.00 0.00 C ATOM 1270 C ILE A 80 1.851 4.355 -10.991 1.00 0.00 C ATOM 1271 O ILE A 80 1.173 5.337 -10.685 1.00 0.00 O ATOM 1272 CB ILE A 80 0.333 3.388 -12.719 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.056 2.096 -13.441 1.00 0.00 C ATOM 1274 CG2 ILE A 80 1.081 4.321 -13.659 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.320 1.461 -12.904 1.00 0.00 C ATOM 0 H ILE A 80 -0.601 2.647 -10.479 1.00 0.00 H new ATOM 0 HA ILE A 80 1.963 2.353 -11.759 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.578 3.888 -12.392 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.188 2.308 -14.502 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.763 1.382 -13.358 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.460 4.535 -14.529 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.312 5.251 -13.140 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.007 3.846 -13.982 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.535 0.550 -13.462 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.185 1.217 -11.850 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.151 2.158 -13.012 1.00 0.00 H new ATOM 1287 N THR A 81 3.179 4.344 -10.919 1.00 0.00 N ATOM 1288 CA THR A 81 3.930 5.508 -10.467 1.00 0.00 C ATOM 1289 C THR A 81 4.759 6.101 -11.600 1.00 0.00 C ATOM 1290 O THR A 81 4.770 5.577 -12.715 1.00 0.00 O ATOM 1291 CB THR A 81 4.863 5.153 -9.294 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.858 4.218 -9.726 1.00 0.00 O ATOM 1293 CG2 THR A 81 4.075 4.563 -8.135 1.00 0.00 C ATOM 0 H THR A 81 3.756 3.541 -11.168 1.00 0.00 H new ATOM 0 HA THR A 81 3.200 6.245 -10.131 1.00 0.00 H new ATOM 0 HB THR A 81 5.348 6.068 -8.954 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.421 3.436 -10.124 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.755 4.320 -7.319 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.338 5.288 -7.790 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.566 3.657 -8.465 1.00 0.00 H new ATOM 1301 N ASP A 82 5.454 7.195 -11.309 1.00 0.00 N ATOM 1302 CA ASP A 82 6.289 7.858 -12.304 1.00 0.00 C ATOM 1303 C ASP A 82 7.491 6.993 -12.668 1.00 0.00 C ATOM 1304 O ASP A 82 8.068 7.136 -13.747 1.00 0.00 O ATOM 1305 CB ASP A 82 6.761 9.216 -11.781 1.00 0.00 C ATOM 1306 CG ASP A 82 7.813 9.084 -10.697 1.00 0.00 C ATOM 1307 OD1 ASP A 82 7.439 8.809 -9.537 1.00 0.00 O ATOM 1308 OD2 ASP A 82 9.010 9.256 -11.008 1.00 0.00 O ATOM 0 H ASP A 82 5.456 7.642 -10.392 1.00 0.00 H new ATOM 0 HA ASP A 82 5.690 8.011 -13.202 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.166 9.800 -12.608 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.907 9.768 -11.389 1.00 0.00 H new ATOM 1313 N THR A 83 7.865 6.096 -11.762 1.00 0.00 N ATOM 1314 CA THR A 83 9.000 5.209 -11.987 1.00 0.00 C ATOM 1315 C THR A 83 8.573 3.947 -12.727 1.00 0.00 C ATOM 1316 O THR A 83 8.885 3.772 -13.905 1.00 0.00 O ATOM 1317 CB THR A 83 9.672 4.810 -10.660 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.757 4.058 -9.854 1.00 0.00 O ATOM 1319 CG2 THR A 83 10.135 6.041 -9.895 1.00 0.00 C ATOM 0 H THR A 83 7.398 5.964 -10.865 1.00 0.00 H new ATOM 0 HA THR A 83 9.716 5.760 -12.597 1.00 0.00 H new ATOM 0 HB THR A 83 10.543 4.196 -10.890 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.192 3.807 -9.013 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.606 5.733 -8.962 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.853 6.596 -10.499 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.277 6.677 -9.676 1.00 0.00 H new ATOM 1327 N MET A 84 7.857 3.071 -12.030 1.00 0.00 N ATOM 1328 CA MET A 84 7.386 1.825 -12.623 1.00 0.00 C ATOM 1329 C MET A 84 6.048 1.408 -12.022 1.00 0.00 C ATOM 1330 O MET A 84 5.595 1.983 -11.032 1.00 0.00 O ATOM 1331 CB MET A 84 8.418 0.715 -12.418 1.00 0.00 C ATOM 1332 CG MET A 84 9.424 0.602 -13.553 1.00 0.00 C ATOM 1333 SD MET A 84 10.594 -0.748 -13.312 1.00 0.00 S ATOM 1334 CE MET A 84 9.503 -2.165 -13.416 1.00 0.00 C ATOM 0 H MET A 84 7.590 3.201 -11.054 1.00 0.00 H new ATOM 0 HA MET A 84 7.248 1.990 -13.692 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.953 0.896 -11.486 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.898 -0.237 -12.308 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.891 0.453 -14.492 1.00 0.00 H new ATOM 0 HG3 MET A 84 9.971 1.540 -13.643 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.081 -3.080 -13.286 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.746 -2.100 -12.634 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.017 -2.179 -14.391 1.00 0.00 H new ATOM 1344 N VAL A 85 5.418 0.405 -12.627 1.00 0.00 N ATOM 1345 CA VAL A 85 4.132 -0.088 -12.150 1.00 0.00 C ATOM 1346 C VAL A 85 4.317 -1.202 -11.126 1.00 0.00 C ATOM 1347 O VAL A 85 5.167 -2.077 -11.291 1.00 0.00 O ATOM 1348 CB VAL A 85 3.267 -0.612 -13.312 1.00 0.00 C ATOM 1349 CG1 VAL A 85 1.862 -0.938 -12.827 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.226 0.402 -14.445 1.00 0.00 C ATOM 0 H VAL A 85 5.778 -0.081 -13.448 1.00 0.00 H new ATOM 0 HA VAL A 85 3.624 0.754 -11.679 1.00 0.00 H new ATOM 0 HB VAL A 85 3.717 -1.529 -13.692 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.265 -1.307 -13.661 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.913 -1.702 -12.052 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.400 -0.039 -12.420 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.611 0.015 -15.257 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.801 1.337 -14.081 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.237 0.581 -14.810 1.00 0.00 H new ATOM 1360 N TYR A 86 3.514 -1.164 -10.068 1.00 0.00 N ATOM 1361 CA TYR A 86 3.590 -2.169 -9.015 1.00 0.00 C ATOM 1362 C TYR A 86 2.311 -2.999 -8.961 1.00 0.00 C ATOM 1363 O TYR A 86 1.231 -2.520 -9.307 1.00 0.00 O ATOM 1364 CB TYR A 86 3.836 -1.502 -7.660 1.00 0.00 C ATOM 1365 CG TYR A 86 5.085 -0.652 -7.622 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.296 -1.139 -8.099 1.00 0.00 C ATOM 1367 CD2 TYR A 86 5.055 0.639 -7.109 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.440 -0.366 -8.066 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.194 1.420 -7.073 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.384 0.913 -7.552 1.00 0.00 C ATOM 1371 OH TYR A 86 8.522 1.687 -7.517 1.00 0.00 O ATOM 0 H TYR A 86 2.803 -0.448 -9.917 1.00 0.00 H new ATOM 0 HA TYR A 86 4.424 -2.833 -9.242 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.976 -0.881 -7.409 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.908 -2.273 -6.893 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.343 -2.140 -8.503 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.125 1.039 -6.732 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.373 -0.761 -8.440 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.153 2.422 -6.672 1.00 0.00 H new ATOM 0 HH TYR A 86 8.311 2.561 -7.126 1.00 0.00 H new ATOM 1381 N PHE A 87 2.441 -4.247 -8.523 1.00 0.00 N ATOM 1382 CA PHE A 87 1.296 -5.145 -8.423 1.00 0.00 C ATOM 1383 C PHE A 87 1.148 -5.681 -7.002 1.00 0.00 C ATOM 1384 O PHE A 87 1.987 -6.442 -6.522 1.00 0.00 O ATOM 1385 CB PHE A 87 1.447 -6.309 -9.405 1.00 0.00 C ATOM 1386 CG PHE A 87 1.758 -5.873 -10.808 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.947 -5.224 -11.099 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.861 -6.111 -11.836 1.00 0.00 C ATOM 1389 CE1 PHE A 87 3.235 -4.821 -12.389 1.00 0.00 C ATOM 1390 CE2 PHE A 87 1.143 -5.711 -13.129 1.00 0.00 C ATOM 1391 CZ PHE A 87 2.333 -5.066 -13.405 1.00 0.00 C ATOM 0 H PHE A 87 3.327 -4.659 -8.232 1.00 0.00 H new ATOM 0 HA PHE A 87 0.399 -4.579 -8.675 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.240 -6.969 -9.054 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.526 -6.892 -9.410 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.657 -5.031 -10.308 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.070 -6.615 -11.625 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.165 -4.315 -12.602 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.435 -5.902 -13.921 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.557 -4.754 -14.414 1.00 0.00 H new ATOM 1401 N VAL A 88 0.073 -5.275 -6.332 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.188 -5.714 -4.967 1.00 0.00 C ATOM 1403 C VAL A 88 -1.417 -6.614 -4.903 1.00 0.00 C ATOM 1404 O VAL A 88 -2.342 -6.475 -5.701 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.394 -4.515 -4.022 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.355 -4.966 -2.570 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.655 -3.444 -4.284 1.00 0.00 C ATOM 0 H VAL A 88 -0.631 -4.643 -6.713 1.00 0.00 H new ATOM 0 HA VAL A 88 0.687 -6.277 -4.643 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.376 -4.085 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.502 -4.105 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.146 -5.694 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.612 -5.422 -2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.495 -2.604 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.649 -3.860 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.574 -3.100 -5.315 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.419 -7.537 -3.946 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.539 -8.447 -3.795 1.00 0.00 C ATOM 1419 C GLY A 89 -2.105 -9.898 -3.740 1.00 0.00 C ATOM 1420 O GLY A 89 -1.447 -10.390 -4.657 1.00 0.00 O ATOM 0 H GLY A 89 -0.665 -7.671 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.084 -8.199 -2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.230 -8.309 -4.627 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.472 -10.583 -2.662 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.113 -11.986 -2.491 1.00 0.00 C ATOM 1426 C GLU A 90 -3.327 -12.812 -2.077 1.00 0.00 C ATOM 1427 O GLU A 90 -3.841 -12.666 -0.969 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.005 -12.129 -1.445 1.00 0.00 C ATOM 1429 CG GLU A 90 -0.718 -13.568 -1.055 1.00 0.00 C ATOM 1430 CD GLU A 90 0.703 -13.768 -0.564 1.00 0.00 C ATOM 1431 OE1 GLU A 90 1.047 -13.206 0.497 1.00 0.00 O ATOM 1432 OE2 GLU A 90 1.470 -14.484 -1.240 1.00 0.00 O ATOM 0 H GLU A 90 -3.017 -10.190 -1.895 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.750 -12.360 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.092 -11.677 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.285 -11.569 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.414 -13.875 -0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.896 -14.215 -1.914 1.00 0.00 H new ATOM 1439 N ASN A 91 -3.780 -13.679 -2.976 1.00 0.00 N ATOM 1440 CA ASN A 91 -4.935 -14.528 -2.706 1.00 0.00 C ATOM 1441 C ASN A 91 -4.521 -15.992 -2.598 1.00 0.00 C ATOM 1442 O ASN A 91 -4.051 -16.588 -3.566 1.00 0.00 O ATOM 1443 CB ASN A 91 -5.985 -14.363 -3.807 1.00 0.00 C ATOM 1444 CG ASN A 91 -6.637 -12.995 -3.783 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -6.181 -12.089 -3.085 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -7.712 -12.838 -4.548 1.00 0.00 N ATOM 0 H ASN A 91 -3.365 -13.812 -3.898 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.366 -14.220 -1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.517 -14.522 -4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.751 -15.130 -3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.194 -11.939 -4.573 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.056 -13.616 -5.111 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.288 -11.830 2.059 1.00 0.00 N ATOM 1647 CA GLY A 107 -5.580 -12.208 1.515 1.00 0.00 C ATOM 1648 C GLY A 107 -6.175 -11.130 0.632 1.00 0.00 C ATOM 1649 O GLY A 107 -5.606 -10.047 0.493 1.00 0.00 O ATOM 0 HA2 GLY A 107 -5.473 -13.127 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.267 -12.423 2.334 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.323 -11.426 0.032 1.00 0.00 N ATOM 1654 CA LEU A 108 -7.996 -10.474 -0.845 1.00 0.00 C ATOM 1655 C LEU A 108 -8.776 -9.445 -0.034 1.00 0.00 C ATOM 1656 O LEU A 108 -8.501 -8.247 -0.103 1.00 0.00 O ATOM 1657 CB LEU A 108 -8.938 -11.208 -1.800 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.014 -10.353 -2.470 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -9.416 -9.535 -3.604 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.149 -11.229 -2.982 1.00 0.00 C ATOM 0 H LEU A 108 -7.807 -12.318 0.137 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.236 -9.952 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.339 -11.679 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.430 -12.009 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.419 -9.665 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.196 -8.933 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.639 -8.880 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.983 -10.205 -4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.906 -10.604 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.759 -11.941 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.596 -11.770 -2.148 1.00 0.00 H new ATOM 1672 N ASP A 109 -9.749 -9.920 0.736 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.567 -9.041 1.564 1.00 0.00 C ATOM 1674 C ASP A 109 -9.732 -7.900 2.135 1.00 0.00 C ATOM 1675 O ASP A 109 -10.082 -6.728 1.990 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.216 -9.834 2.700 1.00 0.00 C ATOM 1677 CG ASP A 109 -11.627 -8.950 3.861 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -12.164 -7.851 3.609 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -11.412 -9.357 5.022 1.00 0.00 O ATOM 0 H ASP A 109 -9.991 -10.909 0.804 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.349 -8.615 0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.092 -10.359 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.519 -10.593 3.054 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.628 -8.249 2.786 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.743 -7.254 3.380 1.00 0.00 C ATOM 1686 C VAL A 110 -7.276 -6.243 2.339 1.00 0.00 C ATOM 1687 O VAL A 110 -7.196 -5.046 2.614 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.510 -7.914 4.027 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.749 -8.743 3.004 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.608 -6.860 4.650 1.00 0.00 C ATOM 0 H VAL A 110 -8.324 -9.214 2.916 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.317 -6.740 4.151 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.850 -8.582 4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.882 -9.201 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.401 -9.523 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.418 -8.100 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.742 -7.343 5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.274 -6.165 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.160 -6.315 5.415 1.00 0.00 H new ATOM 1700 N ALA A 111 -6.969 -6.733 1.142 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.513 -5.872 0.058 1.00 0.00 C ATOM 1702 C ALA A 111 -7.606 -4.898 -0.366 1.00 0.00 C ATOM 1703 O ALA A 111 -7.388 -3.688 -0.412 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.061 -6.711 -1.128 1.00 0.00 C ATOM 0 H ALA A 111 -7.028 -7.722 0.899 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.666 -5.290 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.723 -6.055 -1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.242 -7.362 -0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.894 -7.318 -1.483 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.782 -5.434 -0.678 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.909 -4.611 -1.100 1.00 0.00 C ATOM 1712 C GLN A 112 -9.965 -3.314 -0.301 1.00 0.00 C ATOM 1713 O GLN A 112 -10.294 -2.256 -0.838 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.220 -5.382 -0.938 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.464 -6.406 -2.035 1.00 0.00 C ATOM 1716 CD GLN A 112 -12.758 -7.171 -1.841 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.572 -6.831 -0.982 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -12.955 -8.213 -2.640 1.00 0.00 N ATOM 0 H GLN A 112 -8.979 -6.434 -0.646 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.771 -4.362 -2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.216 -5.889 0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.049 -4.674 -0.923 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.486 -5.900 -3.000 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.631 -7.109 -2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.254 -8.460 -3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.807 -8.767 -2.555 1.00 0.00 H new ATOM 1727 N SER A 113 -9.643 -3.402 0.986 1.00 0.00 N ATOM 1728 CA SER A 113 -9.661 -2.236 1.860 1.00 0.00 C ATOM 1729 C SER A 113 -8.483 -1.314 1.561 1.00 0.00 C ATOM 1730 O SER A 113 -8.631 -0.092 1.522 1.00 0.00 O ATOM 1731 CB SER A 113 -9.623 -2.671 3.327 1.00 0.00 C ATOM 1732 OG SER A 113 -8.340 -3.157 3.681 1.00 0.00 O ATOM 0 H SER A 113 -9.367 -4.269 1.446 1.00 0.00 H new ATOM 0 HA SER A 113 -10.585 -1.688 1.674 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.885 -1.828 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.369 -3.446 3.499 1.00 0.00 H new ATOM 0 HG SER A 113 -8.225 -4.064 3.328 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.314 -1.908 1.350 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.109 -1.141 1.054 1.00 0.00 C ATOM 1740 C TRP A 114 -6.227 -0.443 -0.296 1.00 0.00 C ATOM 1741 O TRP A 114 -5.822 0.710 -0.446 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.883 -2.054 1.066 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.288 -2.234 2.430 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.752 -3.044 3.426 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.121 -1.587 2.948 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.944 -2.940 4.532 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.935 -2.053 4.264 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.213 -0.660 2.427 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.880 -1.623 5.064 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.167 -0.234 3.223 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.007 -0.716 4.529 1.00 0.00 C ATOM 0 H TRP A 114 -7.175 -2.918 1.378 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.993 -0.380 1.826 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.162 -3.030 0.668 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.126 -1.642 0.399 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.626 -3.674 3.355 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -4.074 -3.442 5.410 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.327 -0.284 1.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.755 -1.992 6.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.460 0.483 2.832 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.178 -0.364 5.125 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.782 -1.149 -1.276 1.00 0.00 N ATOM 1763 CA GLU A 115 -6.951 -0.595 -2.614 1.00 0.00 C ATOM 1764 C GLU A 115 -7.866 0.626 -2.586 1.00 0.00 C ATOM 1765 O GLU A 115 -7.553 1.664 -3.171 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.524 -1.653 -3.560 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.840 -1.122 -4.948 1.00 0.00 C ATOM 1768 CD GLU A 115 -8.922 -1.923 -5.646 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -9.852 -2.390 -4.956 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -8.838 -2.083 -6.882 1.00 0.00 O ATOM 0 H GLU A 115 -7.122 -2.105 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.971 -0.285 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.812 -2.474 -3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.433 -2.065 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.155 -0.081 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -6.934 -1.137 -5.554 1.00 0.00 H new ATOM 1777 N LYS A 116 -8.998 0.495 -1.903 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.959 1.586 -1.797 1.00 0.00 C ATOM 1779 C LYS A 116 -9.396 2.727 -0.957 1.00 0.00 C ATOM 1780 O LYS A 116 -9.552 3.899 -1.300 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.267 1.083 -1.182 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.187 0.402 -2.181 1.00 0.00 C ATOM 1783 CD LYS A 116 -13.606 0.295 -1.650 1.00 0.00 C ATOM 1784 CE LYS A 116 -13.752 -0.868 -0.680 1.00 0.00 C ATOM 1785 NZ LYS A 116 -15.144 -0.992 -0.168 1.00 0.00 N ATOM 0 H LYS A 116 -9.273 -0.357 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.157 1.961 -2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -11.036 0.384 -0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.793 1.924 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -12.189 0.962 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -11.806 -0.594 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.879 1.224 -1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -14.298 0.165 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -13.464 -1.794 -1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -13.068 -0.730 0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -15.202 -1.796 0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.410 -0.118 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.794 -1.149 -0.964 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.740 2.377 0.145 1.00 0.00 N ATOM 1800 CA ALA A 117 -8.151 3.372 1.032 1.00 0.00 C ATOM 1801 C ALA A 117 -7.111 4.213 0.300 1.00 0.00 C ATOM 1802 O ALA A 117 -7.158 5.443 0.333 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.528 2.696 2.244 1.00 0.00 C ATOM 0 H ALA A 117 -8.603 1.412 0.444 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.946 4.037 1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -7.092 3.451 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -8.295 2.145 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.750 2.007 1.916 1.00 0.00 H new ATOM 1809 N ILE A 118 -6.172 3.542 -0.359 1.00 0.00 N ATOM 1810 CA ILE A 118 -5.120 4.228 -1.099 1.00 0.00 C ATOM 1811 C ILE A 118 -5.707 5.118 -2.190 1.00 0.00 C ATOM 1812 O ILE A 118 -5.316 6.276 -2.337 1.00 0.00 O ATOM 1813 CB ILE A 118 -4.139 3.229 -1.739 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.338 2.503 -0.657 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -3.206 3.947 -2.704 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.523 1.342 -1.185 1.00 0.00 C ATOM 0 H ILE A 118 -6.118 2.524 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.580 4.845 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.711 2.489 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.670 3.215 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.024 2.137 0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.518 3.227 -3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.792 4.423 -3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.639 4.706 -2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -1.981 0.874 -0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.187 0.610 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.813 1.704 -1.928 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.648 4.569 -2.951 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.289 5.313 -4.028 1.00 0.00 C ATOM 1830 C ARG A 119 -8.006 6.546 -3.486 1.00 0.00 C ATOM 1831 O ARG A 119 -7.823 7.653 -3.990 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.282 4.419 -4.773 1.00 0.00 C ATOM 1833 CG ARG A 119 -8.752 5.001 -6.096 1.00 0.00 C ATOM 1834 CD ARG A 119 -9.464 3.957 -6.943 1.00 0.00 C ATOM 1835 NE ARG A 119 -9.416 4.281 -8.366 1.00 0.00 N ATOM 1836 CZ ARG A 119 -10.220 5.166 -8.946 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -11.129 5.811 -8.227 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -10.116 5.407 -10.246 1.00 0.00 N ATOM 0 H ARG A 119 -6.983 3.612 -2.842 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.514 5.640 -4.721 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.818 3.450 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -9.148 4.242 -4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.424 5.838 -5.908 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -7.897 5.395 -6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -9.006 2.982 -6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.503 3.879 -6.624 1.00 0.00 H new ATOM 0 HE ARG A 119 -8.728 3.802 -8.947 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.212 5.628 -7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -11.745 6.490 -8.674 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -9.418 4.913 -10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -10.734 6.087 -10.690 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.822 6.345 -2.456 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.567 7.440 -1.847 1.00 0.00 C ATOM 1854 C GLN A 120 -8.621 8.505 -1.302 1.00 0.00 C ATOM 1855 O GLN A 120 -8.766 9.690 -1.601 1.00 0.00 O ATOM 1856 CB GLN A 120 -10.463 6.913 -0.724 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.722 7.738 -0.513 1.00 0.00 C ATOM 1858 CD GLN A 120 -12.803 7.423 -1.528 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -12.524 7.244 -2.714 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -14.046 7.352 -1.066 1.00 0.00 N ATOM 0 H GLN A 120 -8.984 5.434 -2.026 1.00 0.00 H new ATOM 0 HA GLN A 120 -10.191 7.894 -2.617 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.746 5.885 -0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.893 6.891 0.205 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -12.107 7.556 0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.472 8.797 -0.571 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -14.231 7.507 -0.075 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -14.815 7.142 -1.702 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.652 8.074 -0.501 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.681 8.990 0.085 1.00 0.00 C ATOM 1871 C ALA A 121 -6.316 10.102 -0.893 1.00 0.00 C ATOM 1872 O ALA A 121 -6.203 11.267 -0.510 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.434 8.233 0.515 1.00 0.00 C ATOM 0 H ALA A 121 -7.519 7.096 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.135 9.449 0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.718 8.930 0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.703 7.479 1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.986 7.747 -0.352 1.00 0.00 H new ATOM 1879 N LEU A 122 -6.133 9.735 -2.157 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.780 10.702 -3.190 1.00 0.00 C ATOM 1881 C LEU A 122 -6.740 11.887 -3.178 1.00 0.00 C ATOM 1882 O LEU A 122 -6.325 13.034 -3.014 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.793 10.035 -4.567 1.00 0.00 C ATOM 1884 CG LEU A 122 -5.039 8.709 -4.676 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -5.192 8.122 -6.071 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.569 8.901 -4.335 1.00 0.00 C ATOM 0 H LEU A 122 -6.223 8.775 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.776 11.070 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.830 9.866 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.369 10.732 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 122 -5.469 8.009 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.649 7.179 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.248 7.947 -6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.789 8.819 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.049 7.947 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.126 9.617 -5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.478 9.276 -3.316 1.00 0.00 H new