USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 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 83 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 86 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -163:sc= -1.05 (180deg=-1.12) USER MOD Single : A 16 HIS : no HD1:sc= -1.62! K(o=-1.6!,f=-0.67) USER MOD Single : A 17 TYR OH : rot -61:sc= 1.47 USER MOD Single : A 18 THR OG1 : rot 31:sc= 1.12 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= 1.3 (180deg=-0.0901) USER MOD Single : A 27 HIS : no HD1:sc= -3.81! K(o=-3.8!,f=-1.7) USER MOD Single : A 28 TYR OH : rot -75:sc= 1.14 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -107:sc= -0.601 (180deg=-2.7!) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 41 ASN : amide:sc=-0.00305 X(o=-0.003,f=-0.003) USER MOD Single : A 48 TYR OH : rot 180: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 HD1:sc= -0.012 X(o=-0.012,f=-0.22) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.174 USER MOD Single : A 81 THR OG1 : rot -138:sc= -0.809! USER MOD Single : A 84 MET CE :methyl 170:sc= -0.399 (180deg=-0.563) USER MOD Single : A 91 ASN : amide:sc= -2.34! X(o=-2.3!,f=-2.6) USER MOD Single : A 112 GLN : amide:sc= -0.0438 K(o=-0.044,f=-2.4!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -3.727 3.017 7.595 1.00 0.00 N ATOM 100 CA LYS A 10 -3.675 1.561 7.530 1.00 0.00 C ATOM 101 C LYS A 10 -2.237 1.062 7.636 1.00 0.00 C ATOM 102 O LYS A 10 -1.294 1.798 7.350 1.00 0.00 O ATOM 103 CB LYS A 10 -4.303 1.066 6.225 1.00 0.00 C ATOM 104 CG LYS A 10 -4.885 -0.334 6.323 1.00 0.00 C ATOM 105 CD LYS A 10 -6.022 -0.534 5.335 1.00 0.00 C ATOM 106 CE LYS A 10 -6.267 -2.010 5.060 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.150 -2.627 6.089 1.00 0.00 N ATOM 0 HA LYS A 10 -4.241 1.164 8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.090 1.758 5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.548 1.082 5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.103 -1.069 6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.247 -0.509 7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.932 -0.080 5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.789 -0.022 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.721 -2.126 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.314 -2.538 5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.293 -3.633 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.706 -2.540 7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.069 -2.140 6.095 1.00 0.00 H new ATOM 121 N GLU A 11 -2.080 -0.192 8.049 1.00 0.00 N ATOM 122 CA GLU A 11 -0.757 -0.787 8.192 1.00 0.00 C ATOM 123 C GLU A 11 -0.847 -2.310 8.228 1.00 0.00 C ATOM 124 O GLU A 11 -1.904 -2.874 8.506 1.00 0.00 O ATOM 125 CB GLU A 11 -0.077 -0.276 9.463 1.00 0.00 C ATOM 126 CG GLU A 11 -0.975 -0.310 10.689 1.00 0.00 C ATOM 127 CD GLU A 11 -1.537 -1.691 10.962 1.00 0.00 C ATOM 128 OE1 GLU A 11 -0.764 -2.670 10.891 1.00 0.00 O ATOM 129 OE2 GLU A 11 -2.748 -1.794 11.247 1.00 0.00 O ATOM 0 H GLU A 11 -2.851 -0.814 8.290 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.161 -0.495 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.811 -0.877 9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.260 0.747 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.410 0.027 11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.797 0.392 10.552 1.00 0.00 H new ATOM 136 N GLY A 12 0.272 -2.971 7.943 1.00 0.00 N ATOM 137 CA GLY A 12 0.299 -4.421 7.947 1.00 0.00 C ATOM 138 C GLY A 12 1.258 -4.987 6.919 1.00 0.00 C ATOM 139 O GLY A 12 1.718 -4.270 6.030 1.00 0.00 O ATOM 0 H GLY A 12 1.160 -2.527 7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.585 -4.773 8.938 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.704 -4.800 7.751 1.00 0.00 H new ATOM 143 N TRP A 13 1.562 -6.274 7.041 1.00 0.00 N ATOM 144 CA TRP A 13 2.475 -6.934 6.115 1.00 0.00 C ATOM 145 C TRP A 13 1.791 -7.209 4.780 1.00 0.00 C ATOM 146 O TRP A 13 0.767 -7.888 4.725 1.00 0.00 O ATOM 147 CB TRP A 13 2.988 -8.243 6.718 1.00 0.00 C ATOM 148 CG TRP A 13 3.907 -8.039 7.884 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.549 -7.765 9.173 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.338 -8.091 7.866 1.00 0.00 C ATOM 151 NE1 TRP A 13 4.670 -7.644 9.957 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.781 -7.840 9.180 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.288 -8.327 6.869 1.00 0.00 C ATOM 154 CZ2 TRP A 13 7.131 -7.818 9.519 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.628 -8.304 7.207 1.00 0.00 C ATOM 156 CH2 TRP A 13 8.039 -8.052 8.522 1.00 0.00 C ATOM 0 H TRP A 13 1.190 -6.881 7.771 1.00 0.00 H new ATOM 0 HA TRP A 13 3.319 -6.268 5.939 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.138 -8.846 7.036 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.511 -8.810 5.947 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.533 -7.659 9.524 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.675 -7.441 10.957 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.981 -8.524 5.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.450 -7.623 10.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.371 -8.483 6.444 1.00 0.00 H new ATOM 0 HH2 TRP A 13 9.094 -8.042 8.754 1.00 0.00 H new ATOM 167 N MET A 14 2.366 -6.678 3.705 1.00 0.00 N ATOM 168 CA MET A 14 1.811 -6.869 2.370 1.00 0.00 C ATOM 169 C MET A 14 2.906 -7.239 1.375 1.00 0.00 C ATOM 170 O MET A 14 4.085 -6.972 1.605 1.00 0.00 O ATOM 171 CB MET A 14 1.093 -5.600 1.907 1.00 0.00 C ATOM 172 CG MET A 14 0.060 -5.848 0.820 1.00 0.00 C ATOM 173 SD MET A 14 -1.210 -7.024 1.325 1.00 0.00 S ATOM 174 CE MET A 14 -2.543 -5.913 1.769 1.00 0.00 C ATOM 0 H MET A 14 3.215 -6.113 3.733 1.00 0.00 H new ATOM 0 HA MET A 14 1.093 -7.688 2.415 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.603 -5.137 2.763 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.832 -4.888 1.539 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.412 -4.903 0.550 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.561 -6.221 -0.073 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.275 -6.447 2.375 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.143 -5.074 2.339 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.023 -5.541 0.864 1.00 0.00 H new ATOM 184 N VAL A 15 2.508 -7.857 0.267 1.00 0.00 N ATOM 185 CA VAL A 15 3.455 -8.264 -0.764 1.00 0.00 C ATOM 186 C VAL A 15 3.147 -7.584 -2.093 1.00 0.00 C ATOM 187 O VAL A 15 1.985 -7.449 -2.479 1.00 0.00 O ATOM 188 CB VAL A 15 3.443 -9.791 -0.966 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.940 -10.499 0.285 1.00 0.00 C ATOM 190 CG2 VAL A 15 2.048 -10.267 -1.341 1.00 0.00 C ATOM 0 H VAL A 15 1.536 -8.087 0.061 1.00 0.00 H new ATOM 0 HA VAL A 15 4.444 -7.958 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 15 4.118 -10.038 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.924 -11.577 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.959 -10.179 0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.293 -10.249 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.058 -11.348 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.349 -10.010 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.736 -9.785 -2.267 1.00 0.00 H new ATOM 200 N HIS A 16 4.195 -7.157 -2.791 1.00 0.00 N ATOM 201 CA HIS A 16 4.036 -6.491 -4.079 1.00 0.00 C ATOM 202 C HIS A 16 5.162 -6.878 -5.033 1.00 0.00 C ATOM 203 O HIS A 16 6.228 -7.321 -4.604 1.00 0.00 O ATOM 204 CB HIS A 16 4.009 -4.974 -3.892 1.00 0.00 C ATOM 205 CG HIS A 16 5.367 -4.343 -3.918 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.297 -4.517 -2.915 1.00 0.00 N ATOM 207 CD2 HIS A 16 5.951 -3.536 -4.835 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.393 -3.843 -3.212 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.209 -3.239 -4.373 1.00 0.00 N ATOM 0 H HIS A 16 5.163 -7.260 -2.486 1.00 0.00 H new ATOM 0 HA HIS A 16 3.089 -6.813 -4.513 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.396 -4.530 -4.677 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.528 -4.742 -2.942 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.509 -3.190 -5.758 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.288 -3.794 -2.609 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.891 -2.648 -4.849 1.00 0.00 H new ATOM 218 N TYR A 17 4.918 -6.710 -6.327 1.00 0.00 N ATOM 219 CA TYR A 17 5.910 -7.045 -7.342 1.00 0.00 C ATOM 220 C TYR A 17 5.874 -6.041 -8.491 1.00 0.00 C ATOM 221 O TYR A 17 4.832 -5.455 -8.788 1.00 0.00 O ATOM 222 CB TYR A 17 5.667 -8.457 -7.877 1.00 0.00 C ATOM 223 CG TYR A 17 4.386 -8.592 -8.670 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.360 -8.329 -10.034 1.00 0.00 C ATOM 225 CD2 TYR A 17 3.204 -8.984 -8.055 1.00 0.00 C ATOM 226 CE1 TYR A 17 3.192 -8.450 -10.762 1.00 0.00 C ATOM 227 CE2 TYR A 17 2.032 -9.110 -8.776 1.00 0.00 C ATOM 228 CZ TYR A 17 2.031 -8.842 -10.129 1.00 0.00 C ATOM 229 OH TYR A 17 0.866 -8.965 -10.851 1.00 0.00 O ATOM 0 H TYR A 17 4.042 -6.344 -6.699 1.00 0.00 H new ATOM 0 HA TYR A 17 6.895 -7.004 -6.878 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.507 -8.747 -8.508 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.641 -9.154 -7.040 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.268 -8.025 -10.534 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.201 -9.194 -6.996 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.188 -8.239 -11.821 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.122 -9.417 -8.283 1.00 0.00 H new ATOM 0 HH TYR A 17 0.628 -8.097 -11.238 1.00 0.00 H new ATOM 239 N THR A 18 7.021 -5.847 -9.135 1.00 0.00 N ATOM 240 CA THR A 18 7.123 -4.915 -10.250 1.00 0.00 C ATOM 241 C THR A 18 7.001 -5.640 -11.586 1.00 0.00 C ATOM 242 O THR A 18 6.928 -6.868 -11.632 1.00 0.00 O ATOM 243 CB THR A 18 8.457 -4.144 -10.218 1.00 0.00 C ATOM 244 OG1 THR A 18 9.537 -5.045 -9.950 1.00 0.00 O ATOM 245 CG2 THR A 18 8.425 -3.053 -9.158 1.00 0.00 C ATOM 0 H THR A 18 7.892 -6.324 -8.903 1.00 0.00 H new ATOM 0 HA THR A 18 6.300 -4.208 -10.147 1.00 0.00 H new ATOM 0 HB THR A 18 8.606 -3.678 -11.192 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.327 -5.927 -10.321 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.377 -2.522 -9.154 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.620 -2.353 -9.381 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.255 -3.502 -8.179 1.00 0.00 H new ATOM 253 N SER A 19 6.980 -4.873 -12.671 1.00 0.00 N ATOM 254 CA SER A 19 6.864 -5.442 -14.008 1.00 0.00 C ATOM 255 C SER A 19 8.204 -6.000 -14.479 1.00 0.00 C ATOM 256 O SER A 19 8.304 -7.167 -14.859 1.00 0.00 O ATOM 257 CB SER A 19 6.363 -4.385 -14.994 1.00 0.00 C ATOM 258 OG SER A 19 6.325 -4.897 -16.315 1.00 0.00 O ATOM 0 H SER A 19 7.042 -3.855 -12.650 1.00 0.00 H new ATOM 0 HA SER A 19 6.144 -6.259 -13.967 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.367 -4.053 -14.701 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.014 -3.512 -14.958 1.00 0.00 H new ATOM 0 HG SER A 19 6.000 -4.203 -16.926 1.00 0.00 H new ATOM 264 N ARG A 20 9.231 -5.156 -14.453 1.00 0.00 N ATOM 265 CA ARG A 20 10.564 -5.563 -14.878 1.00 0.00 C ATOM 266 C ARG A 20 11.098 -6.687 -13.995 1.00 0.00 C ATOM 267 O ARG A 20 11.534 -7.726 -14.491 1.00 0.00 O ATOM 268 CB ARG A 20 11.522 -4.370 -14.837 1.00 0.00 C ATOM 269 CG ARG A 20 12.666 -4.474 -15.832 1.00 0.00 C ATOM 270 CD ARG A 20 12.234 -4.045 -17.226 1.00 0.00 C ATOM 271 NE ARG A 20 12.110 -2.594 -17.338 1.00 0.00 N ATOM 272 CZ ARG A 20 12.091 -1.945 -18.497 1.00 0.00 C ATOM 273 NH1 ARG A 20 12.186 -2.615 -19.637 1.00 0.00 N ATOM 274 NH2 ARG A 20 11.975 -0.624 -18.517 1.00 0.00 N ATOM 0 H ARG A 20 9.165 -4.187 -14.142 1.00 0.00 H new ATOM 0 HA ARG A 20 10.494 -5.931 -15.902 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.961 -3.457 -15.036 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.933 -4.279 -13.832 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.496 -3.851 -15.500 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.030 -5.501 -15.863 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.959 -4.404 -17.957 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.279 -4.510 -17.469 1.00 0.00 H new ATOM 0 HE ARG A 20 12.034 -2.049 -16.479 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.274 -3.631 -19.626 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.171 -2.114 -20.526 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.900 -0.105 -17.642 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.961 -0.127 -19.407 1.00 0.00 H new ATOM 288 N ASP A 21 11.060 -6.472 -12.685 1.00 0.00 N ATOM 289 CA ASP A 21 11.539 -7.467 -11.732 1.00 0.00 C ATOM 290 C ASP A 21 10.376 -8.087 -10.964 1.00 0.00 C ATOM 291 O ASP A 21 9.863 -7.499 -10.013 1.00 0.00 O ATOM 292 CB ASP A 21 12.531 -6.833 -10.756 1.00 0.00 C ATOM 293 CG ASP A 21 13.323 -7.868 -9.982 1.00 0.00 C ATOM 294 OD1 ASP A 21 13.848 -8.809 -10.614 1.00 0.00 O ATOM 295 OD2 ASP A 21 13.419 -7.738 -8.744 1.00 0.00 O ATOM 0 H ASP A 21 10.702 -5.617 -12.258 1.00 0.00 H new ATOM 0 HA ASP A 21 12.044 -8.256 -12.290 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.218 -6.191 -11.307 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.991 -6.195 -10.056 1.00 0.00 H new ATOM 300 N ASN A 22 9.965 -9.279 -11.385 1.00 0.00 N ATOM 301 CA ASN A 22 8.861 -9.979 -10.738 1.00 0.00 C ATOM 302 C ASN A 22 9.324 -10.651 -9.449 1.00 0.00 C ATOM 303 O ASN A 22 9.006 -11.813 -9.192 1.00 0.00 O ATOM 304 CB ASN A 22 8.266 -11.023 -11.685 1.00 0.00 C ATOM 305 CG ASN A 22 7.147 -10.458 -12.539 1.00 0.00 C ATOM 306 OD1 ASN A 22 6.106 -10.048 -12.026 1.00 0.00 O ATOM 307 ND2 ASN A 22 7.359 -10.433 -13.850 1.00 0.00 N ATOM 0 H ASN A 22 10.380 -9.780 -12.171 1.00 0.00 H new ATOM 0 HA ASN A 22 8.094 -9.245 -10.490 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.052 -11.412 -12.332 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.887 -11.863 -11.103 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.643 -10.063 -14.475 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.238 -10.784 -14.231 1.00 0.00 H new ATOM 314 N LEU A 23 10.078 -9.913 -8.641 1.00 0.00 N ATOM 315 CA LEU A 23 10.585 -10.437 -7.378 1.00 0.00 C ATOM 316 C LEU A 23 9.724 -9.969 -6.209 1.00 0.00 C ATOM 317 O LEU A 23 10.112 -9.074 -5.459 1.00 0.00 O ATOM 318 CB LEU A 23 12.035 -9.997 -7.166 1.00 0.00 C ATOM 319 CG LEU A 23 12.666 -10.387 -5.829 1.00 0.00 C ATOM 320 CD1 LEU A 23 13.014 -11.868 -5.815 1.00 0.00 C ATOM 321 CD2 LEU A 23 13.904 -9.545 -5.557 1.00 0.00 C ATOM 0 H LEU A 23 10.351 -8.950 -8.838 1.00 0.00 H new ATOM 0 HA LEU A 23 10.544 -11.525 -7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.642 -10.417 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.083 -8.913 -7.265 1.00 0.00 H new ATOM 0 HG LEU A 23 11.941 -10.197 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.462 -12.127 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.108 -12.456 -5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.721 -12.083 -6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.340 -9.837 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.633 -9.703 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.627 -8.491 -5.523 1.00 0.00 H new ATOM 333 N ARG A 24 8.554 -10.582 -6.060 1.00 0.00 N ATOM 334 CA ARG A 24 7.638 -10.229 -4.982 1.00 0.00 C ATOM 335 C ARG A 24 8.405 -9.866 -3.714 1.00 0.00 C ATOM 336 O ARG A 24 9.352 -10.552 -3.330 1.00 0.00 O ATOM 337 CB ARG A 24 6.681 -11.388 -4.698 1.00 0.00 C ATOM 338 CG ARG A 24 5.620 -11.061 -3.659 1.00 0.00 C ATOM 339 CD ARG A 24 4.402 -11.959 -3.804 1.00 0.00 C ATOM 340 NE ARG A 24 4.759 -13.290 -4.289 1.00 0.00 N ATOM 341 CZ ARG A 24 5.340 -14.216 -3.535 1.00 0.00 C ATOM 342 NH1 ARG A 24 5.629 -13.957 -2.267 1.00 0.00 N ATOM 343 NH2 ARG A 24 5.634 -15.404 -4.048 1.00 0.00 N ATOM 0 H ARG A 24 8.218 -11.325 -6.672 1.00 0.00 H new ATOM 0 HA ARG A 24 7.061 -9.360 -5.298 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.190 -11.679 -5.627 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.257 -12.249 -4.358 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.040 -11.175 -2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.319 -10.018 -3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.899 -12.047 -2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.693 -11.500 -4.493 1.00 0.00 H new ATOM 0 HE ARG A 24 4.550 -13.521 -5.260 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.405 -13.045 -1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.075 -14.670 -1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.414 -15.607 -5.023 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.080 -16.114 -3.467 1.00 0.00 H new ATOM 357 N LYS A 25 7.990 -8.782 -3.068 1.00 0.00 N ATOM 358 CA LYS A 25 8.636 -8.326 -1.843 1.00 0.00 C ATOM 359 C LYS A 25 7.627 -8.212 -0.705 1.00 0.00 C ATOM 360 O LYS A 25 6.577 -7.587 -0.855 1.00 0.00 O ATOM 361 CB LYS A 25 9.316 -6.975 -2.073 1.00 0.00 C ATOM 362 CG LYS A 25 10.119 -6.909 -3.360 1.00 0.00 C ATOM 363 CD LYS A 25 9.257 -6.476 -4.534 1.00 0.00 C ATOM 364 CE LYS A 25 10.074 -5.742 -5.586 1.00 0.00 C ATOM 365 NZ LYS A 25 11.084 -6.632 -6.223 1.00 0.00 N ATOM 0 H LYS A 25 7.208 -8.202 -3.373 1.00 0.00 H new ATOM 0 HA LYS A 25 9.390 -9.062 -1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.556 -6.193 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.976 -6.762 -1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.947 -6.210 -3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.555 -7.886 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.786 -7.351 -4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.455 -5.829 -4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.407 -5.343 -6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.577 -4.891 -5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.040 -6.306 -5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.952 -7.606 -5.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.967 -6.606 -7.256 1.00 0.00 H new ATOM 379 N ARG A 26 7.952 -8.818 0.432 1.00 0.00 N ATOM 380 CA ARG A 26 7.073 -8.784 1.595 1.00 0.00 C ATOM 381 C ARG A 26 7.627 -7.850 2.667 1.00 0.00 C ATOM 382 O ARG A 26 8.669 -8.121 3.264 1.00 0.00 O ATOM 383 CB ARG A 26 6.898 -10.191 2.170 1.00 0.00 C ATOM 384 CG ARG A 26 5.829 -10.280 3.246 1.00 0.00 C ATOM 385 CD ARG A 26 5.545 -11.724 3.631 1.00 0.00 C ATOM 386 NE ARG A 26 6.749 -12.418 4.078 1.00 0.00 N ATOM 387 CZ ARG A 26 6.778 -13.708 4.396 1.00 0.00 C ATOM 388 NH1 ARG A 26 5.675 -14.438 4.317 1.00 0.00 N ATOM 389 NH2 ARG A 26 7.913 -14.268 4.795 1.00 0.00 N ATOM 0 H ARG A 26 8.818 -9.339 0.573 1.00 0.00 H new ATOM 0 HA ARG A 26 6.102 -8.407 1.275 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.645 -10.876 1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.849 -10.525 2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.150 -9.724 4.127 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.912 -9.810 2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.798 -11.747 4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.120 -12.250 2.776 1.00 0.00 H new ATOM 0 HE ARG A 26 7.615 -11.884 4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.801 -14.010 4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.700 -15.428 4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.763 -13.708 4.858 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.935 -15.258 5.039 1.00 0.00 H new ATOM 403 N HIS A 27 6.922 -6.749 2.906 1.00 0.00 N ATOM 404 CA HIS A 27 7.342 -5.774 3.906 1.00 0.00 C ATOM 405 C HIS A 27 6.136 -5.186 4.633 1.00 0.00 C ATOM 406 O HIS A 27 5.003 -5.296 4.164 1.00 0.00 O ATOM 407 CB HIS A 27 8.152 -4.655 3.251 1.00 0.00 C ATOM 408 CG HIS A 27 9.296 -5.152 2.420 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.528 -4.727 1.129 1.00 0.00 N ATOM 410 CD2 HIS A 27 10.276 -6.041 2.705 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.601 -5.335 0.654 1.00 0.00 C ATOM 412 NE2 HIS A 27 11.073 -6.138 1.591 1.00 0.00 N ATOM 0 H HIS A 27 6.057 -6.510 2.421 1.00 0.00 H new ATOM 0 HA HIS A 27 7.969 -6.287 4.635 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.490 -4.058 2.624 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.538 -3.994 4.027 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.407 -6.574 3.635 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.020 -5.199 -0.332 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.896 -6.734 1.501 1.00 0.00 H new ATOM 421 N TYR A 28 6.387 -4.563 5.779 1.00 0.00 N ATOM 422 CA TYR A 28 5.322 -3.961 6.571 1.00 0.00 C ATOM 423 C TYR A 28 4.813 -2.680 5.916 1.00 0.00 C ATOM 424 O TYR A 28 5.304 -1.588 6.199 1.00 0.00 O ATOM 425 CB TYR A 28 5.818 -3.660 7.986 1.00 0.00 C ATOM 426 CG TYR A 28 4.704 -3.425 8.981 1.00 0.00 C ATOM 427 CD1 TYR A 28 4.039 -4.491 9.575 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.316 -2.136 9.328 1.00 0.00 C ATOM 429 CE1 TYR A 28 3.020 -4.280 10.484 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.299 -1.916 10.237 1.00 0.00 C ATOM 431 CZ TYR A 28 2.654 -2.991 10.811 1.00 0.00 C ATOM 432 OH TYR A 28 1.641 -2.777 11.717 1.00 0.00 O ATOM 0 H TYR A 28 7.319 -4.462 6.180 1.00 0.00 H new ATOM 0 HA TYR A 28 4.498 -4.673 6.625 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.433 -4.491 8.331 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.460 -2.780 7.957 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.324 -5.502 9.322 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.818 -1.292 8.879 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.513 -5.120 10.936 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.011 -0.908 10.496 1.00 0.00 H new ATOM 0 HH TYR A 28 0.778 -2.966 11.293 1.00 0.00 H new ATOM 442 N TRP A 29 3.826 -2.824 5.039 1.00 0.00 N ATOM 443 CA TRP A 29 3.249 -1.680 4.343 1.00 0.00 C ATOM 444 C TRP A 29 2.503 -0.772 5.315 1.00 0.00 C ATOM 445 O TRP A 29 1.624 -1.222 6.049 1.00 0.00 O ATOM 446 CB TRP A 29 2.302 -2.153 3.239 1.00 0.00 C ATOM 447 CG TRP A 29 2.988 -2.377 1.925 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.142 -3.074 1.711 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.562 -1.899 0.644 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.460 -3.059 0.375 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.506 -2.346 -0.302 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.475 -1.140 0.203 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.394 -2.056 -1.659 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.365 -0.853 -1.144 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.319 -1.311 -2.062 1.00 0.00 C ATOM 0 H TRP A 29 3.409 -3.722 4.793 1.00 0.00 H new ATOM 0 HA TRP A 29 4.063 -1.111 3.894 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.823 -3.080 3.553 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.511 -1.414 3.107 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.720 -3.565 2.480 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.275 -3.506 -0.045 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.734 -0.784 0.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.129 -2.406 -2.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.529 -0.266 -1.495 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.204 -1.071 -3.109 1.00 0.00 H new ATOM 466 N ARG A 30 2.859 0.509 5.314 1.00 0.00 N ATOM 467 CA ARG A 30 2.224 1.480 6.196 1.00 0.00 C ATOM 468 C ARG A 30 1.741 2.695 5.410 1.00 0.00 C ATOM 469 O ARG A 30 2.496 3.289 4.639 1.00 0.00 O ATOM 470 CB ARG A 30 3.198 1.921 7.290 1.00 0.00 C ATOM 471 CG ARG A 30 2.548 2.748 8.387 1.00 0.00 C ATOM 472 CD ARG A 30 3.510 3.004 9.536 1.00 0.00 C ATOM 473 NE ARG A 30 3.848 1.776 10.251 1.00 0.00 N ATOM 474 CZ ARG A 30 4.640 1.740 11.316 1.00 0.00 C ATOM 475 NH1 ARG A 30 5.173 2.858 11.789 1.00 0.00 N ATOM 476 NH2 ARG A 30 4.901 0.583 11.912 1.00 0.00 N ATOM 0 H ARG A 30 3.584 0.898 4.712 1.00 0.00 H new ATOM 0 HA ARG A 30 1.361 1.002 6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.655 1.037 7.735 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.002 2.502 6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.210 3.699 7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.664 2.230 8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.421 3.462 9.151 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.064 3.717 10.230 1.00 0.00 H new ATOM 0 HE ARG A 30 3.454 0.898 9.914 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.975 3.749 11.335 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.781 2.827 12.607 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.493 -0.280 11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.510 0.557 12.730 1.00 0.00 H new ATOM 490 N LEU A 31 0.478 3.058 5.608 1.00 0.00 N ATOM 491 CA LEU A 31 -0.106 4.202 4.917 1.00 0.00 C ATOM 492 C LEU A 31 -0.664 5.213 5.914 1.00 0.00 C ATOM 493 O LEU A 31 -1.213 4.840 6.951 1.00 0.00 O ATOM 494 CB LEU A 31 -1.214 3.739 3.970 1.00 0.00 C ATOM 495 CG LEU A 31 -2.111 4.837 3.397 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.337 5.696 2.409 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.339 4.232 2.734 1.00 0.00 C ATOM 0 H LEU A 31 -0.161 2.577 6.241 1.00 0.00 H new ATOM 0 HA LEU A 31 0.680 4.686 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.754 3.203 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.843 3.024 4.501 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.444 5.473 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.991 6.472 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.490 6.159 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.974 5.073 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.965 5.029 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.027 3.572 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.906 3.661 3.470 1.00 0.00 H new ATOM 509 N ASP A 32 -0.521 6.494 5.592 1.00 0.00 N ATOM 510 CA ASP A 32 -1.013 7.560 6.457 1.00 0.00 C ATOM 511 C ASP A 32 -1.596 8.703 5.633 1.00 0.00 C ATOM 512 O ASP A 32 -1.565 8.674 4.403 1.00 0.00 O ATOM 513 CB ASP A 32 0.114 8.081 7.351 1.00 0.00 C ATOM 514 CG ASP A 32 1.473 7.983 6.686 1.00 0.00 C ATOM 515 OD1 ASP A 32 2.047 6.873 6.670 1.00 0.00 O ATOM 516 OD2 ASP A 32 1.962 9.014 6.181 1.00 0.00 O ATOM 0 H ASP A 32 -0.068 6.819 4.738 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.804 7.149 7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.085 9.120 7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.127 7.514 8.282 1.00 0.00 H new ATOM 521 N SER A 33 -2.129 9.709 6.320 1.00 0.00 N ATOM 522 CA SER A 33 -2.724 10.860 5.651 1.00 0.00 C ATOM 523 C SER A 33 -1.658 11.684 4.936 1.00 0.00 C ATOM 524 O SER A 33 -1.968 12.634 4.216 1.00 0.00 O ATOM 525 CB SER A 33 -3.468 11.735 6.662 1.00 0.00 C ATOM 526 OG SER A 33 -4.772 11.237 6.905 1.00 0.00 O ATOM 0 H SER A 33 -2.161 9.750 7.339 1.00 0.00 H new ATOM 0 HA SER A 33 -3.432 10.492 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.909 11.771 7.597 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.529 12.757 6.288 1.00 0.00 H new ATOM 0 HG SER A 33 -5.226 11.812 7.556 1.00 0.00 H new ATOM 532 N LYS A 34 -0.398 11.314 5.139 1.00 0.00 N ATOM 533 CA LYS A 34 0.717 12.016 4.514 1.00 0.00 C ATOM 534 C LYS A 34 1.189 11.282 3.262 1.00 0.00 C ATOM 535 O LYS A 34 0.998 11.759 2.143 1.00 0.00 O ATOM 536 CB LYS A 34 1.876 12.157 5.503 1.00 0.00 C ATOM 537 CG LYS A 34 2.821 13.300 5.173 1.00 0.00 C ATOM 538 CD LYS A 34 4.137 13.170 5.922 1.00 0.00 C ATOM 539 CE LYS A 34 3.961 13.437 7.409 1.00 0.00 C ATOM 540 NZ LYS A 34 3.425 12.248 8.127 1.00 0.00 N ATOM 0 H LYS A 34 -0.123 10.531 5.732 1.00 0.00 H new ATOM 0 HA LYS A 34 0.372 13.008 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.472 12.308 6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.440 11.225 5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.012 13.317 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.349 14.249 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.542 12.169 5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.863 13.871 5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.920 13.721 7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.285 14.281 7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.431 12.416 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.487 11.413 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.982 12.083 8.990 1.00 0.00 H new ATOM 554 N CYS A 35 1.804 10.121 3.459 1.00 0.00 N ATOM 555 CA CYS A 35 2.302 9.322 2.346 1.00 0.00 C ATOM 556 C CYS A 35 2.477 7.864 2.759 1.00 0.00 C ATOM 557 O CYS A 35 2.570 7.551 3.947 1.00 0.00 O ATOM 558 CB CYS A 35 3.631 9.885 1.841 1.00 0.00 C ATOM 559 SG CYS A 35 4.838 10.212 3.147 1.00 0.00 S ATOM 0 H CYS A 35 1.969 9.713 4.379 1.00 0.00 H new ATOM 0 HA CYS A 35 1.568 9.367 1.541 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.064 9.182 1.129 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.439 10.811 1.299 1.00 0.00 H new ATOM 0 HG CYS A 35 5.929 10.683 2.621 1.00 0.00 H new ATOM 565 N LEU A 36 2.521 6.976 1.772 1.00 0.00 N ATOM 566 CA LEU A 36 2.683 5.550 2.033 1.00 0.00 C ATOM 567 C LEU A 36 4.158 5.188 2.183 1.00 0.00 C ATOM 568 O LEU A 36 4.942 5.328 1.243 1.00 0.00 O ATOM 569 CB LEU A 36 2.058 4.730 0.902 1.00 0.00 C ATOM 570 CG LEU A 36 2.310 3.223 0.948 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.228 2.525 1.756 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.378 2.651 -0.461 1.00 0.00 C ATOM 0 H LEU A 36 2.447 7.218 0.784 1.00 0.00 H new ATOM 0 HA LEU A 36 2.173 5.317 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.981 4.899 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.433 5.112 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 36 3.269 3.049 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.424 1.453 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.226 2.914 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.256 2.707 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.558 1.577 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.435 2.837 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.190 3.129 -1.009 1.00 0.00 H new ATOM 584 N THR A 37 4.529 4.720 3.371 1.00 0.00 N ATOM 585 CA THR A 37 5.908 4.338 3.644 1.00 0.00 C ATOM 586 C THR A 37 6.034 2.830 3.830 1.00 0.00 C ATOM 587 O THR A 37 5.063 2.153 4.173 1.00 0.00 O ATOM 588 CB THR A 37 6.449 5.045 4.901 1.00 0.00 C ATOM 589 OG1 THR A 37 6.037 6.416 4.906 1.00 0.00 O ATOM 590 CG2 THR A 37 7.967 4.967 4.955 1.00 0.00 C ATOM 0 H THR A 37 3.893 4.597 4.159 1.00 0.00 H new ATOM 0 HA THR A 37 6.498 4.646 2.781 1.00 0.00 H new ATOM 0 HB THR A 37 6.044 4.540 5.778 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.383 6.859 5.709 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.326 5.473 5.851 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.277 3.922 4.980 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.388 5.450 4.073 1.00 0.00 H new ATOM 598 N LEU A 38 7.234 2.308 3.603 1.00 0.00 N ATOM 599 CA LEU A 38 7.487 0.879 3.746 1.00 0.00 C ATOM 600 C LEU A 38 8.512 0.615 4.845 1.00 0.00 C ATOM 601 O LEU A 38 9.355 1.462 5.139 1.00 0.00 O ATOM 602 CB LEU A 38 7.980 0.292 2.422 1.00 0.00 C ATOM 603 CG LEU A 38 6.897 -0.211 1.467 1.00 0.00 C ATOM 604 CD1 LEU A 38 6.190 0.958 0.798 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.497 -1.142 0.424 1.00 0.00 C ATOM 0 H LEU A 38 8.048 2.854 3.319 1.00 0.00 H new ATOM 0 HA LEU A 38 6.550 0.396 4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.567 1.052 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.654 -0.535 2.643 1.00 0.00 H new ATOM 0 HG LEU A 38 6.161 -0.771 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.423 0.581 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.726 1.586 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.914 1.546 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.712 -1.490 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.254 -0.606 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.956 -1.997 0.920 1.00 0.00 H new ATOM 617 N PHE A 39 8.434 -0.567 5.448 1.00 0.00 N ATOM 618 CA PHE A 39 9.355 -0.944 6.514 1.00 0.00 C ATOM 619 C PHE A 39 9.794 -2.397 6.364 1.00 0.00 C ATOM 620 O PHE A 39 8.997 -3.318 6.540 1.00 0.00 O ATOM 621 CB PHE A 39 8.700 -0.735 7.881 1.00 0.00 C ATOM 622 CG PHE A 39 8.702 0.697 8.333 1.00 0.00 C ATOM 623 CD1 PHE A 39 7.668 1.550 7.981 1.00 0.00 C ATOM 624 CD2 PHE A 39 9.737 1.191 9.111 1.00 0.00 C ATOM 625 CE1 PHE A 39 7.666 2.868 8.396 1.00 0.00 C ATOM 626 CE2 PHE A 39 9.740 2.508 9.529 1.00 0.00 C ATOM 627 CZ PHE A 39 8.704 3.348 9.170 1.00 0.00 C ATOM 0 H PHE A 39 7.742 -1.280 5.216 1.00 0.00 H new ATOM 0 HA PHE A 39 10.237 -0.307 6.441 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.671 -1.094 7.841 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.221 -1.342 8.621 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.854 1.180 7.375 1.00 0.00 H new ATOM 0 HD2 PHE A 39 10.550 0.539 9.394 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.854 3.522 8.115 1.00 0.00 H new ATOM 0 HE2 PHE A 39 10.552 2.880 10.136 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.706 4.378 9.494 1.00 0.00 H new ATOM 637 N GLN A 40 11.068 -2.594 6.039 1.00 0.00 N ATOM 638 CA GLN A 40 11.613 -3.936 5.864 1.00 0.00 C ATOM 639 C GLN A 40 10.963 -4.917 6.834 1.00 0.00 C ATOM 640 O GLN A 40 10.519 -5.994 6.437 1.00 0.00 O ATOM 641 CB GLN A 40 13.128 -3.924 6.071 1.00 0.00 C ATOM 642 CG GLN A 40 13.839 -5.104 5.429 1.00 0.00 C ATOM 643 CD GLN A 40 15.309 -5.169 5.792 1.00 0.00 C ATOM 644 OE1 GLN A 40 15.675 -5.089 6.965 1.00 0.00 O ATOM 645 NE2 GLN A 40 16.162 -5.314 4.785 1.00 0.00 N ATOM 0 H GLN A 40 11.742 -1.842 5.892 1.00 0.00 H new ATOM 0 HA GLN A 40 11.395 -4.261 4.847 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.535 -2.999 5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.340 -3.920 7.140 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.351 -6.029 5.738 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.739 -5.038 4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.815 -5.376 3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.164 -5.363 4.969 1.00 0.00 H new ATOM 654 N ASN A 41 10.912 -4.538 8.107 1.00 0.00 N ATOM 655 CA ASN A 41 10.317 -5.386 9.134 1.00 0.00 C ATOM 656 C ASN A 41 9.386 -4.579 10.034 1.00 0.00 C ATOM 657 O ASN A 41 9.287 -3.359 9.905 1.00 0.00 O ATOM 658 CB ASN A 41 11.411 -6.048 9.974 1.00 0.00 C ATOM 659 CG ASN A 41 10.968 -7.376 10.557 1.00 0.00 C ATOM 660 OD1 ASN A 41 10.224 -7.420 11.537 1.00 0.00 O ATOM 661 ND2 ASN A 41 11.425 -8.468 9.954 1.00 0.00 N ATOM 0 H ASN A 41 11.275 -3.650 8.452 1.00 0.00 H new ATOM 0 HA ASN A 41 9.731 -6.160 8.637 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.296 -6.202 9.357 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.700 -5.377 10.783 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.161 -9.390 10.301 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.040 -8.384 9.144 1.00 0.00 H new ATOM 755 N TYR A 48 12.182 2.347 4.734 1.00 0.00 N ATOM 756 CA TYR A 48 12.582 1.552 3.579 1.00 0.00 C ATOM 757 C TYR A 48 12.351 2.320 2.282 1.00 0.00 C ATOM 758 O TYR A 48 13.285 2.575 1.522 1.00 0.00 O ATOM 759 CB TYR A 48 11.807 0.233 3.549 1.00 0.00 C ATOM 760 CG TYR A 48 12.159 -0.649 2.373 1.00 0.00 C ATOM 761 CD1 TYR A 48 11.597 -0.431 1.122 1.00 0.00 C ATOM 762 CD2 TYR A 48 13.056 -1.702 2.514 1.00 0.00 C ATOM 763 CE1 TYR A 48 11.915 -1.236 0.045 1.00 0.00 C ATOM 764 CE2 TYR A 48 13.381 -2.511 1.442 1.00 0.00 C ATOM 765 CZ TYR A 48 12.808 -2.274 0.210 1.00 0.00 C ATOM 766 OH TYR A 48 13.129 -3.077 -0.860 1.00 0.00 O ATOM 0 HA TYR A 48 13.647 1.339 3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.000 -0.313 4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.739 0.449 3.523 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.899 0.382 0.989 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.506 -1.891 3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.467 -1.053 -0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.080 -3.325 1.568 1.00 0.00 H new ATOM 0 HH TYR A 48 13.772 -3.760 -0.575 1.00 0.00 H new ATOM 776 N LYS A 49 11.098 2.688 2.035 1.00 0.00 N ATOM 777 CA LYS A 49 10.741 3.429 0.831 1.00 0.00 C ATOM 778 C LYS A 49 9.700 4.501 1.141 1.00 0.00 C ATOM 779 O LYS A 49 9.056 4.467 2.188 1.00 0.00 O ATOM 780 CB LYS A 49 10.204 2.476 -0.239 1.00 0.00 C ATOM 781 CG LYS A 49 11.293 1.788 -1.043 1.00 0.00 C ATOM 782 CD LYS A 49 12.012 2.766 -1.958 1.00 0.00 C ATOM 783 CE LYS A 49 13.107 2.078 -2.759 1.00 0.00 C ATOM 784 NZ LYS A 49 13.773 3.014 -3.706 1.00 0.00 N ATOM 0 H LYS A 49 10.313 2.485 2.653 1.00 0.00 H new ATOM 0 HA LYS A 49 11.640 3.918 0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.584 1.718 0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.559 3.033 -0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.011 1.327 -0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.856 0.986 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.294 3.224 -2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.445 3.571 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.849 1.662 -2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.680 1.242 -3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.513 2.507 -4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.070 3.392 -4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.202 3.798 -3.175 1.00 0.00 H new ATOM 798 N GLU A 50 9.542 5.448 0.222 1.00 0.00 N ATOM 799 CA GLU A 50 8.578 6.529 0.399 1.00 0.00 C ATOM 800 C GLU A 50 7.731 6.712 -0.857 1.00 0.00 C ATOM 801 O GLU A 50 8.244 7.066 -1.919 1.00 0.00 O ATOM 802 CB GLU A 50 9.300 7.835 0.736 1.00 0.00 C ATOM 803 CG GLU A 50 8.360 8.981 1.070 1.00 0.00 C ATOM 804 CD GLU A 50 9.098 10.244 1.470 1.00 0.00 C ATOM 805 OE1 GLU A 50 10.220 10.129 2.007 1.00 0.00 O ATOM 806 OE2 GLU A 50 8.555 11.345 1.246 1.00 0.00 O ATOM 0 H GLU A 50 10.068 5.489 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 50 7.919 6.263 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.966 7.664 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.925 8.123 -0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.729 9.192 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.699 8.679 1.882 1.00 0.00 H new ATOM 813 N ILE A 51 6.431 6.469 -0.727 1.00 0.00 N ATOM 814 CA ILE A 51 5.512 6.608 -1.850 1.00 0.00 C ATOM 815 C ILE A 51 4.443 7.656 -1.559 1.00 0.00 C ATOM 816 O ILE A 51 3.395 7.365 -0.982 1.00 0.00 O ATOM 817 CB ILE A 51 4.827 5.271 -2.186 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.874 4.205 -2.516 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.859 5.448 -3.347 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.370 2.789 -2.345 1.00 0.00 C ATOM 0 H ILE A 51 5.991 6.175 0.145 1.00 0.00 H new ATOM 0 HA ILE A 51 6.106 6.927 -2.706 1.00 0.00 H new ATOM 0 HB ILE A 51 4.262 4.941 -1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.208 4.341 -3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.744 4.352 -1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.383 4.494 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.097 6.179 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.403 5.798 -4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.165 2.087 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.063 2.634 -1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.518 2.624 -3.005 1.00 0.00 H new ATOM 832 N PRO A 52 4.711 8.904 -1.969 1.00 0.00 N ATOM 833 CA PRO A 52 3.782 10.020 -1.765 1.00 0.00 C ATOM 834 C PRO A 52 2.532 9.900 -2.630 1.00 0.00 C ATOM 835 O PRO A 52 2.617 9.611 -3.825 1.00 0.00 O ATOM 836 CB PRO A 52 4.603 11.244 -2.179 1.00 0.00 C ATOM 837 CG PRO A 52 5.619 10.715 -3.132 1.00 0.00 C ATOM 838 CD PRO A 52 5.940 9.323 -2.663 1.00 0.00 C ATOM 0 HA PRO A 52 3.415 10.062 -0.740 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.975 12.001 -2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.076 11.713 -1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.231 10.704 -4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.512 11.341 -3.138 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.175 8.662 -3.497 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.802 9.313 -1.995 1.00 0.00 H new ATOM 846 N LEU A 53 1.373 10.123 -2.021 1.00 0.00 N ATOM 847 CA LEU A 53 0.104 10.040 -2.736 1.00 0.00 C ATOM 848 C LEU A 53 0.230 10.625 -4.139 1.00 0.00 C ATOM 849 O LEU A 53 -0.513 10.252 -5.047 1.00 0.00 O ATOM 850 CB LEU A 53 -0.990 10.776 -1.961 1.00 0.00 C ATOM 851 CG LEU A 53 -1.190 10.344 -0.508 1.00 0.00 C ATOM 852 CD1 LEU A 53 -2.183 11.260 0.190 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.657 8.897 -0.441 1.00 0.00 C ATOM 0 H LEU A 53 1.285 10.363 -1.033 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.167 8.988 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.762 11.842 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.933 10.645 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.233 10.420 0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.312 10.937 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.807 12.283 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.142 11.218 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.794 8.607 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.602 8.795 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.909 8.252 -0.902 1.00 0.00 H new ATOM 865 N SER A 54 1.178 11.541 -4.309 1.00 0.00 N ATOM 866 CA SER A 54 1.401 12.179 -5.602 1.00 0.00 C ATOM 867 C SER A 54 1.977 11.185 -6.606 1.00 0.00 C ATOM 868 O SER A 54 1.495 11.076 -7.733 1.00 0.00 O ATOM 869 CB SER A 54 2.346 13.372 -5.449 1.00 0.00 C ATOM 870 OG SER A 54 2.424 14.118 -6.651 1.00 0.00 O ATOM 0 H SER A 54 1.804 11.858 -3.568 1.00 0.00 H new ATOM 0 HA SER A 54 0.440 12.531 -5.976 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.998 14.015 -4.640 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.339 13.020 -5.171 1.00 0.00 H new ATOM 0 HG SER A 54 3.033 14.876 -6.527 1.00 0.00 H new ATOM 876 N GLU A 55 3.011 10.462 -6.187 1.00 0.00 N ATOM 877 CA GLU A 55 3.653 9.477 -7.050 1.00 0.00 C ATOM 878 C GLU A 55 2.614 8.592 -7.732 1.00 0.00 C ATOM 879 O GLU A 55 2.611 8.450 -8.955 1.00 0.00 O ATOM 880 CB GLU A 55 4.623 8.614 -6.241 1.00 0.00 C ATOM 881 CG GLU A 55 5.601 7.830 -7.100 1.00 0.00 C ATOM 882 CD GLU A 55 6.378 6.798 -6.306 1.00 0.00 C ATOM 883 OE1 GLU A 55 5.754 5.836 -5.811 1.00 0.00 O ATOM 884 OE2 GLU A 55 7.611 6.953 -6.180 1.00 0.00 O ATOM 0 H GLU A 55 3.422 10.540 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 55 4.209 10.012 -7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.183 9.254 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.052 7.917 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.056 7.331 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.299 8.521 -7.572 1.00 0.00 H new ATOM 891 N ILE A 56 1.734 7.999 -6.933 1.00 0.00 N ATOM 892 CA ILE A 56 0.690 7.128 -7.459 1.00 0.00 C ATOM 893 C ILE A 56 -0.251 7.894 -8.383 1.00 0.00 C ATOM 894 O ILE A 56 -0.973 8.791 -7.946 1.00 0.00 O ATOM 895 CB ILE A 56 -0.131 6.486 -6.326 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.790 5.736 -5.361 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.182 5.547 -6.900 1.00 0.00 C ATOM 898 CD1 ILE A 56 0.123 5.367 -4.054 1.00 0.00 C ATOM 0 H ILE A 56 1.723 8.106 -5.919 1.00 0.00 H new ATOM 0 HA ILE A 56 1.190 6.342 -8.024 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.640 7.276 -5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.149 4.828 -5.846 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.664 6.353 -5.152 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.754 5.101 -6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.853 6.107 -7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.692 4.760 -7.474 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.834 4.838 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.212 6.273 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.735 4.724 -4.252 1.00 0.00 H new ATOM 910 N LEU A 57 -0.239 7.533 -9.661 1.00 0.00 N ATOM 911 CA LEU A 57 -1.093 8.185 -10.648 1.00 0.00 C ATOM 912 C LEU A 57 -2.533 7.697 -10.529 1.00 0.00 C ATOM 913 O LEU A 57 -3.454 8.491 -10.336 1.00 0.00 O ATOM 914 CB LEU A 57 -0.568 7.921 -12.060 1.00 0.00 C ATOM 915 CG LEU A 57 0.850 8.413 -12.352 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.384 7.777 -13.626 1.00 0.00 C ATOM 917 CD2 LEU A 57 0.875 9.931 -12.461 1.00 0.00 C ATOM 0 H LEU A 57 0.352 6.793 -10.038 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.075 9.258 -10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.604 6.847 -12.244 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.247 8.389 -12.772 1.00 0.00 H new ATOM 0 HG LEU A 57 1.495 8.117 -11.525 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.394 8.139 -13.818 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.403 6.693 -13.511 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.739 8.042 -14.463 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.892 10.264 -12.669 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.217 10.249 -13.269 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.535 10.369 -11.523 1.00 0.00 H new ATOM 929 N ARG A 58 -2.720 6.386 -10.642 1.00 0.00 N ATOM 930 CA ARG A 58 -4.048 5.792 -10.546 1.00 0.00 C ATOM 931 C ARG A 58 -3.965 4.269 -10.579 1.00 0.00 C ATOM 932 O ARG A 58 -2.949 3.701 -10.979 1.00 0.00 O ATOM 933 CB ARG A 58 -4.936 6.290 -11.687 1.00 0.00 C ATOM 934 CG ARG A 58 -6.408 5.957 -11.503 1.00 0.00 C ATOM 935 CD ARG A 58 -7.293 6.856 -12.352 1.00 0.00 C ATOM 936 NE ARG A 58 -7.235 8.249 -11.917 1.00 0.00 N ATOM 937 CZ ARG A 58 -7.771 8.689 -10.784 1.00 0.00 C ATOM 938 NH1 ARG A 58 -8.402 7.849 -9.976 1.00 0.00 N ATOM 939 NH2 ARG A 58 -7.676 9.972 -10.458 1.00 0.00 N ATOM 0 H ARG A 58 -1.968 5.715 -10.800 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.487 6.095 -9.595 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.825 7.371 -11.777 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.588 5.854 -12.624 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.583 4.915 -11.771 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.678 6.066 -10.453 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.984 6.789 -13.395 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.323 6.503 -12.302 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.756 8.921 -12.516 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.477 6.862 -10.224 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.813 8.189 -9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.191 10.621 -11.078 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.088 10.309 -9.588 1.00 0.00 H new ATOM 953 N ILE A 59 -5.041 3.614 -10.156 1.00 0.00 N ATOM 954 CA ILE A 59 -5.090 2.157 -10.138 1.00 0.00 C ATOM 955 C ILE A 59 -5.740 1.614 -11.405 1.00 0.00 C ATOM 956 O ILE A 59 -6.827 2.043 -11.792 1.00 0.00 O ATOM 957 CB ILE A 59 -5.865 1.635 -8.913 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.041 1.833 -7.639 1.00 0.00 C ATOM 959 CG2 ILE A 59 -6.221 0.168 -9.097 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.406 3.202 -7.537 1.00 0.00 C ATOM 0 H ILE A 59 -5.890 4.069 -9.821 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.059 1.807 -10.082 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.790 2.204 -8.817 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.683 1.674 -6.772 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.259 1.075 -7.600 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.768 -0.186 -8.223 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.842 0.053 -9.985 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.308 -0.416 -9.215 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.838 3.271 -6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.738 3.357 -8.384 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.184 3.965 -7.544 1.00 0.00 H new ATOM 972 N SER A 60 -5.068 0.664 -12.048 1.00 0.00 N ATOM 973 CA SER A 60 -5.578 0.062 -13.274 1.00 0.00 C ATOM 974 C SER A 60 -6.706 -0.919 -12.969 1.00 0.00 C ATOM 975 O SER A 60 -6.790 -1.462 -11.867 1.00 0.00 O ATOM 976 CB SER A 60 -4.453 -0.654 -14.023 1.00 0.00 C ATOM 977 OG SER A 60 -4.968 -1.457 -15.071 1.00 0.00 O ATOM 0 H SER A 60 -4.169 0.295 -11.740 1.00 0.00 H new ATOM 0 HA SER A 60 -5.973 0.859 -13.903 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.759 0.080 -14.431 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.888 -1.276 -13.329 1.00 0.00 H new ATOM 0 HG SER A 60 -4.229 -1.903 -15.535 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.492 -11.101 -7.468 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.447 -9.699 -7.068 1.00 0.00 C ATOM 1187 C HIS A 75 -4.837 -9.073 -7.127 1.00 0.00 C ATOM 1188 O HIS A 75 -5.728 -9.579 -7.811 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.486 -8.921 -7.967 1.00 0.00 C ATOM 1190 CG HIS A 75 -3.029 -8.656 -9.337 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -3.409 -9.659 -10.203 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -3.256 -7.492 -9.989 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -3.845 -9.124 -11.329 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -3.763 -7.810 -11.225 1.00 0.00 N ATOM 0 HA HIS A 75 -3.089 -9.651 -6.039 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.245 -7.971 -7.491 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.554 -9.478 -8.056 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.073 -6.498 -9.608 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -4.207 -9.668 -12.189 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -4.032 -7.140 -11.946 1.00 0.00 H new ATOM 1203 N CYS A 76 -5.015 -7.971 -6.407 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.298 -7.276 -6.376 1.00 0.00 C ATOM 1205 C CYS A 76 -6.306 -6.107 -7.355 1.00 0.00 C ATOM 1206 O CYS A 76 -7.278 -5.899 -8.082 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.596 -6.776 -4.962 1.00 0.00 C ATOM 1208 SG CYS A 76 -8.053 -5.711 -4.849 1.00 0.00 S ATOM 0 H CYS A 76 -4.288 -7.539 -5.837 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.074 -7.981 -6.675 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.735 -7.635 -4.306 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.729 -6.229 -4.591 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.225 -5.340 -3.615 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.218 -5.344 -7.367 1.00 0.00 N ATOM 1215 CA PHE A 77 -5.100 -4.193 -8.255 1.00 0.00 C ATOM 1216 C PHE A 77 -3.639 -3.914 -8.593 1.00 0.00 C ATOM 1217 O PHE A 77 -2.744 -4.648 -8.175 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.731 -2.958 -7.609 1.00 0.00 C ATOM 1219 CG PHE A 77 -5.056 -2.537 -6.335 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -5.310 -3.204 -5.148 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -4.168 -1.473 -6.325 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.690 -2.820 -3.974 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -3.545 -1.084 -5.154 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.807 -1.758 -3.977 1.00 0.00 C ATOM 0 H PHE A 77 -4.405 -5.502 -6.772 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.630 -4.422 -9.179 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.699 -2.131 -8.318 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.782 -3.162 -7.404 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.001 -4.034 -5.140 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.960 -0.942 -7.242 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.896 -3.350 -3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.854 -0.254 -5.159 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.322 -1.455 -3.061 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.407 -2.849 -9.354 1.00 0.00 N ATOM 1235 CA GLU A 78 -2.054 -2.473 -9.749 1.00 0.00 C ATOM 1236 C GLU A 78 -1.820 -0.981 -9.536 1.00 0.00 C ATOM 1237 O GLU A 78 -2.618 -0.148 -9.967 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.809 -2.835 -11.216 1.00 0.00 C ATOM 1239 CG GLU A 78 -2.423 -4.163 -11.626 1.00 0.00 C ATOM 1240 CD GLU A 78 -2.449 -4.354 -13.130 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -2.314 -3.348 -13.857 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.606 -5.508 -13.580 1.00 0.00 O ATOM 0 H GLU A 78 -4.137 -2.232 -9.709 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.353 -3.026 -9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.215 -2.046 -11.849 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.735 -2.869 -11.399 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.858 -4.976 -11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.440 -4.224 -11.238 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.719 -0.651 -8.868 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.379 0.741 -8.598 1.00 0.00 C ATOM 1251 C ILE A 79 0.574 1.289 -9.655 1.00 0.00 C ATOM 1252 O ILE A 79 1.779 1.042 -9.607 1.00 0.00 O ATOM 1253 CB ILE A 79 0.266 0.903 -7.209 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.727 0.510 -6.113 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.743 2.334 -7.010 1.00 0.00 C ATOM 1256 CD1 ILE A 79 -0.064 0.087 -4.821 1.00 0.00 C ATOM 0 H ILE A 79 -0.048 -1.328 -8.504 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.311 1.305 -8.625 1.00 0.00 H new ATOM 0 HB ILE A 79 1.129 0.241 -7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.388 1.353 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.352 -0.306 -6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.196 2.433 -6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.480 2.582 -7.774 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.105 3.014 -7.089 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.828 -0.177 -4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.576 -0.776 -5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.539 0.909 -4.435 1.00 0.00 H new ATOM 1268 N ILE A 80 0.025 2.035 -10.608 1.00 0.00 N ATOM 1269 CA ILE A 80 0.826 2.621 -11.675 1.00 0.00 C ATOM 1270 C ILE A 80 1.459 3.935 -11.229 1.00 0.00 C ATOM 1271 O ILE A 80 0.859 5.002 -11.358 1.00 0.00 O ATOM 1272 CB ILE A 80 -0.017 2.874 -12.939 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.407 1.546 -13.592 1.00 0.00 C ATOM 1274 CG2 ILE A 80 0.748 3.749 -13.920 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.616 0.893 -12.959 1.00 0.00 C ATOM 0 H ILE A 80 -0.971 2.248 -10.663 1.00 0.00 H new ATOM 0 HA ILE A 80 1.611 1.903 -11.910 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.929 3.397 -12.651 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.608 1.716 -14.650 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.438 0.860 -13.534 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.139 3.919 -14.808 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.979 4.705 -13.451 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.675 3.251 -14.205 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.834 -0.043 -13.472 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.412 0.691 -11.908 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.474 1.560 -13.040 1.00 0.00 H new ATOM 1287 N THR A 81 2.678 3.850 -10.706 1.00 0.00 N ATOM 1288 CA THR A 81 3.394 5.032 -10.241 1.00 0.00 C ATOM 1289 C THR A 81 4.391 5.518 -11.288 1.00 0.00 C ATOM 1290 O THR A 81 5.080 4.718 -11.920 1.00 0.00 O ATOM 1291 CB THR A 81 4.144 4.753 -8.925 1.00 0.00 C ATOM 1292 OG1 THR A 81 4.627 3.405 -8.912 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.237 4.984 -7.726 1.00 0.00 C ATOM 0 H THR A 81 3.190 2.975 -10.594 1.00 0.00 H new ATOM 0 HA THR A 81 2.647 5.806 -10.067 1.00 0.00 H new ATOM 0 HB THR A 81 4.987 5.441 -8.860 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.487 3.016 -8.024 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.789 4.781 -6.808 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.895 6.019 -7.722 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.376 4.318 -7.787 1.00 0.00 H new ATOM 1301 N ASP A 82 4.462 6.832 -11.464 1.00 0.00 N ATOM 1302 CA ASP A 82 5.377 7.425 -12.434 1.00 0.00 C ATOM 1303 C ASP A 82 6.668 6.618 -12.526 1.00 0.00 C ATOM 1304 O ASP A 82 7.063 6.179 -13.606 1.00 0.00 O ATOM 1305 CB ASP A 82 5.690 8.872 -12.052 1.00 0.00 C ATOM 1306 CG ASP A 82 6.017 9.731 -13.257 1.00 0.00 C ATOM 1307 OD1 ASP A 82 5.407 9.512 -14.324 1.00 0.00 O ATOM 1308 OD2 ASP A 82 6.884 10.622 -13.134 1.00 0.00 O ATOM 0 H ASP A 82 3.898 7.507 -10.949 1.00 0.00 H new ATOM 0 HA ASP A 82 4.892 7.412 -13.410 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.836 9.299 -11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.531 8.888 -11.359 1.00 0.00 H new ATOM 1313 N THR A 83 7.324 6.428 -11.385 1.00 0.00 N ATOM 1314 CA THR A 83 8.572 5.677 -11.337 1.00 0.00 C ATOM 1315 C THR A 83 8.442 4.347 -12.070 1.00 0.00 C ATOM 1316 O THR A 83 9.127 4.106 -13.064 1.00 0.00 O ATOM 1317 CB THR A 83 9.011 5.409 -9.885 1.00 0.00 C ATOM 1318 OG1 THR A 83 10.003 4.377 -9.856 1.00 0.00 O ATOM 1319 CG2 THR A 83 7.822 5.001 -9.027 1.00 0.00 C ATOM 0 H THR A 83 7.011 6.784 -10.482 1.00 0.00 H new ATOM 0 HA THR A 83 9.328 6.288 -11.830 1.00 0.00 H new ATOM 0 HB THR A 83 9.433 6.329 -9.480 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.278 4.214 -8.930 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.156 4.817 -8.006 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.081 5.801 -9.028 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.376 4.093 -9.432 1.00 0.00 H new ATOM 1327 N MET A 84 7.558 3.488 -11.575 1.00 0.00 N ATOM 1328 CA MET A 84 7.337 2.182 -12.186 1.00 0.00 C ATOM 1329 C MET A 84 5.975 1.620 -11.791 1.00 0.00 C ATOM 1330 O MET A 84 5.303 2.157 -10.910 1.00 0.00 O ATOM 1331 CB MET A 84 8.443 1.208 -11.773 1.00 0.00 C ATOM 1332 CG MET A 84 9.624 1.188 -12.730 1.00 0.00 C ATOM 1333 SD MET A 84 10.855 -0.052 -12.287 1.00 0.00 S ATOM 1334 CE MET A 84 9.946 -1.562 -12.607 1.00 0.00 C ATOM 0 H MET A 84 6.983 3.672 -10.753 1.00 0.00 H new ATOM 0 HA MET A 84 7.358 2.307 -13.269 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.797 1.475 -10.777 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.025 0.204 -11.704 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.265 0.993 -13.740 1.00 0.00 H new ATOM 0 HG3 MET A 84 10.093 2.172 -12.743 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.624 -2.414 -12.552 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.158 -1.677 -11.863 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.502 -1.516 -13.601 1.00 0.00 H new ATOM 1344 N VAL A 85 5.574 0.536 -12.448 1.00 0.00 N ATOM 1345 CA VAL A 85 4.292 -0.098 -12.164 1.00 0.00 C ATOM 1346 C VAL A 85 4.436 -1.173 -11.092 1.00 0.00 C ATOM 1347 O VAL A 85 5.306 -2.040 -11.180 1.00 0.00 O ATOM 1348 CB VAL A 85 3.687 -0.731 -13.432 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.332 -1.351 -13.124 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.569 0.305 -14.540 1.00 0.00 C ATOM 0 H VAL A 85 6.118 0.079 -13.180 1.00 0.00 H new ATOM 0 HA VAL A 85 3.625 0.684 -11.803 1.00 0.00 H new ATOM 0 HB VAL A 85 4.353 -1.523 -13.776 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.920 -1.793 -14.031 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.450 -2.124 -12.364 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.655 -0.581 -12.756 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.140 -0.159 -15.428 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.925 1.120 -14.209 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.558 0.698 -14.778 1.00 0.00 H new ATOM 1360 N TYR A 86 3.578 -1.110 -10.081 1.00 0.00 N ATOM 1361 CA TYR A 86 3.610 -2.077 -8.990 1.00 0.00 C ATOM 1362 C TYR A 86 2.348 -2.933 -8.983 1.00 0.00 C ATOM 1363 O TYR A 86 1.323 -2.555 -9.552 1.00 0.00 O ATOM 1364 CB TYR A 86 3.759 -1.358 -7.648 1.00 0.00 C ATOM 1365 CG TYR A 86 4.951 -0.430 -7.587 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.232 -0.894 -7.860 1.00 0.00 C ATOM 1367 CD2 TYR A 86 4.797 0.911 -7.255 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.324 -0.050 -7.805 1.00 0.00 C ATOM 1369 CE2 TYR A 86 5.883 1.762 -7.199 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.145 1.277 -7.475 1.00 0.00 C ATOM 1371 OH TYR A 86 8.229 2.122 -7.419 1.00 0.00 O ATOM 0 H TYR A 86 2.851 -0.400 -9.994 1.00 0.00 H new ATOM 0 HA TYR A 86 4.469 -2.730 -9.143 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.853 -0.785 -7.450 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.847 -2.101 -6.855 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.376 -1.932 -8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 86 3.811 1.294 -7.037 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.313 -0.427 -8.019 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.745 2.802 -6.941 1.00 0.00 H new ATOM 0 HH TYR A 86 8.912 1.820 -8.054 1.00 0.00 H new ATOM 1381 N PHE A 87 2.429 -4.090 -8.335 1.00 0.00 N ATOM 1382 CA PHE A 87 1.294 -5.003 -8.253 1.00 0.00 C ATOM 1383 C PHE A 87 1.112 -5.518 -6.828 1.00 0.00 C ATOM 1384 O PHE A 87 1.862 -6.378 -6.367 1.00 0.00 O ATOM 1385 CB PHE A 87 1.489 -6.179 -9.212 1.00 0.00 C ATOM 1386 CG PHE A 87 1.487 -5.779 -10.660 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.558 -5.088 -11.202 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.414 -6.095 -11.478 1.00 0.00 C ATOM 1389 CE1 PHE A 87 2.559 -4.718 -12.534 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.409 -5.727 -12.811 1.00 0.00 C ATOM 1391 CZ PHE A 87 1.483 -5.039 -13.339 1.00 0.00 C ATOM 0 H PHE A 87 3.269 -4.418 -7.859 1.00 0.00 H new ATOM 0 HA PHE A 87 0.397 -4.455 -8.539 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.433 -6.673 -8.981 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.698 -6.909 -9.044 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.402 -4.835 -10.577 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.428 -6.635 -11.070 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.400 -4.179 -12.945 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.434 -5.977 -13.438 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.482 -4.752 -14.380 1.00 0.00 H new ATOM 1401 N VAL A 88 0.110 -4.985 -6.136 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.172 -5.390 -4.765 1.00 0.00 C ATOM 1403 C VAL A 88 -1.378 -6.321 -4.704 1.00 0.00 C ATOM 1404 O VAL A 88 -2.296 -6.219 -5.516 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.434 -4.170 -3.862 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.424 -4.578 -2.396 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.595 -3.081 -4.127 1.00 0.00 C ATOM 0 H VAL A 88 -0.520 -4.272 -6.503 1.00 0.00 H new ATOM 0 HA VAL A 88 0.710 -5.918 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.421 -3.771 -4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.611 -3.703 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.202 -5.321 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.548 -5.002 -2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.395 -2.226 -3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.594 -3.466 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.534 -2.769 -5.170 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.369 -7.230 -3.734 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.467 -8.167 -3.584 1.00 0.00 C ATOM 1419 C GLY A 89 -1.995 -9.604 -3.488 1.00 0.00 C ATOM 1420 O GLY A 89 -1.187 -10.054 -4.301 1.00 0.00 O ATOM 0 H GLY A 89 -0.620 -7.334 -3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.036 -7.914 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.145 -8.066 -4.432 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.497 -10.326 -2.492 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.119 -11.720 -2.292 1.00 0.00 C ATOM 1426 C GLU A 90 -3.284 -12.524 -1.721 1.00 0.00 C ATOM 1427 O GLU A 90 -3.729 -12.281 -0.600 1.00 0.00 O ATOM 1428 CB GLU A 90 -0.912 -11.815 -1.356 1.00 0.00 C ATOM 1429 CG GLU A 90 -1.279 -11.763 0.118 1.00 0.00 C ATOM 1430 CD GLU A 90 -0.089 -11.451 1.005 1.00 0.00 C ATOM 1431 OE1 GLU A 90 0.636 -12.396 1.378 1.00 0.00 O ATOM 1432 OE2 GLU A 90 0.116 -10.262 1.325 1.00 0.00 O ATOM 0 H GLU A 90 -3.167 -9.969 -1.811 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.852 -12.140 -3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.380 -12.745 -1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.224 -10.999 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.049 -11.007 0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.708 -12.720 0.416 1.00 0.00 H new ATOM 1439 N ASN A 91 -3.773 -13.482 -2.502 1.00 0.00 N ATOM 1440 CA ASN A 91 -4.887 -14.321 -2.075 1.00 0.00 C ATOM 1441 C ASN A 91 -4.426 -15.755 -1.835 1.00 0.00 C ATOM 1442 O ASN A 91 -3.792 -16.367 -2.694 1.00 0.00 O ATOM 1443 CB ASN A 91 -5.999 -14.300 -3.125 1.00 0.00 C ATOM 1444 CG ASN A 91 -7.373 -14.504 -2.516 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -7.498 -14.926 -1.366 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -8.412 -14.205 -3.287 1.00 0.00 N ATOM 0 H ASN A 91 -3.416 -13.696 -3.433 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.274 -13.921 -1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.977 -13.348 -3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.812 -15.080 -3.864 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.361 -14.322 -2.932 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.261 -13.858 -4.234 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.665 -12.391 2.017 1.00 0.00 N ATOM 1647 CA GLY A 107 -5.947 -12.651 1.387 1.00 0.00 C ATOM 1648 C GLY A 107 -6.355 -11.550 0.429 1.00 0.00 C ATOM 1649 O GLY A 107 -5.628 -10.573 0.246 1.00 0.00 O ATOM 0 HA2 GLY A 107 -5.899 -13.598 0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.711 -12.761 2.157 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.522 -11.708 -0.187 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.026 -10.719 -1.134 1.00 0.00 C ATOM 1655 C LEU A 108 -8.853 -9.654 -0.421 1.00 0.00 C ATOM 1656 O LEU A 108 -8.727 -8.463 -0.704 1.00 0.00 O ATOM 1657 CB LEU A 108 -8.872 -11.401 -2.211 1.00 0.00 C ATOM 1658 CG LEU A 108 -9.635 -10.470 -3.154 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -8.720 -9.956 -4.254 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -10.839 -11.186 -3.751 1.00 0.00 C ATOM 0 H LEU A 108 -8.136 -12.510 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.171 -10.234 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.219 -12.036 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.591 -12.056 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.993 -9.616 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.281 -9.295 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.890 -9.406 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.332 -10.798 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.370 -10.509 -4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.503 -12.059 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.507 -11.504 -2.951 1.00 0.00 H new ATOM 1672 N ASP A 109 -9.698 -10.091 0.506 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.544 -9.176 1.263 1.00 0.00 C ATOM 1674 C ASP A 109 -9.714 -8.053 1.878 1.00 0.00 C ATOM 1675 O ASP A 109 -10.089 -6.882 1.812 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.295 -9.931 2.361 1.00 0.00 C ATOM 1677 CG ASP A 109 -12.561 -10.589 1.847 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -13.078 -10.146 0.800 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -13.033 -11.548 2.492 1.00 0.00 O ATOM 0 H ASP A 109 -9.815 -11.074 0.751 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.267 -8.736 0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.641 -10.691 2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.548 -9.240 3.165 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.585 -8.417 2.478 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.702 -7.441 3.105 1.00 0.00 C ATOM 1686 C VAL A 110 -7.261 -6.378 2.105 1.00 0.00 C ATOM 1687 O VAL A 110 -7.241 -5.188 2.418 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.454 -8.116 3.704 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.705 -8.898 2.636 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.548 -7.081 4.352 1.00 0.00 C ATOM 0 H VAL A 110 -8.260 -9.382 2.543 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.270 -6.969 3.907 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.776 -8.817 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.826 -9.368 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.358 -9.667 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.393 -8.221 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.671 -7.576 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.232 -6.354 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.090 -6.570 5.148 1.00 0.00 H new ATOM 1700 N ALA A 111 -6.907 -6.816 0.901 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.468 -5.901 -0.146 1.00 0.00 C ATOM 1702 C ALA A 111 -7.589 -4.948 -0.547 1.00 0.00 C ATOM 1703 O ALA A 111 -7.380 -3.739 -0.648 1.00 0.00 O ATOM 1704 CB ALA A 111 -5.978 -6.682 -1.356 1.00 0.00 C ATOM 0 H ALA A 111 -6.916 -7.798 0.627 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.644 -5.305 0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.653 -5.987 -2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.142 -7.317 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.788 -7.302 -1.741 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.776 -5.499 -0.774 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.929 -4.696 -1.166 1.00 0.00 C ATOM 1712 C GLN A 112 -9.982 -3.397 -0.370 1.00 0.00 C ATOM 1713 O GLN A 112 -10.375 -2.353 -0.892 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.222 -5.488 -0.961 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.397 -6.633 -1.945 1.00 0.00 C ATOM 1716 CD GLN A 112 -11.975 -6.179 -3.271 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -11.751 -5.049 -3.705 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -12.723 -7.061 -3.924 1.00 0.00 N ATOM 0 H GLN A 112 -8.965 -6.498 -0.693 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.827 -4.449 -2.223 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.237 -5.886 0.053 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.071 -4.810 -1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.432 -7.110 -2.118 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.051 -7.387 -1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.883 -7.987 -3.527 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.138 -6.812 -4.822 1.00 0.00 H new ATOM 1727 N SER A 113 -9.585 -3.467 0.897 1.00 0.00 N ATOM 1728 CA SER A 113 -9.592 -2.297 1.766 1.00 0.00 C ATOM 1729 C SER A 113 -8.410 -1.383 1.456 1.00 0.00 C ATOM 1730 O SER A 113 -8.529 -0.159 1.508 1.00 0.00 O ATOM 1731 CB SER A 113 -9.548 -2.726 3.234 1.00 0.00 C ATOM 1732 OG SER A 113 -10.616 -3.605 3.541 1.00 0.00 O ATOM 0 H SER A 113 -9.255 -4.322 1.344 1.00 0.00 H new ATOM 0 HA SER A 113 -10.514 -1.745 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.598 -3.216 3.444 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.602 -1.846 3.875 1.00 0.00 H new ATOM 0 HG SER A 113 -10.564 -3.866 4.484 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.272 -1.987 1.134 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.068 -1.228 0.815 1.00 0.00 C ATOM 1740 C TRP A 114 -6.242 -0.453 -0.487 1.00 0.00 C ATOM 1741 O TRP A 114 -5.853 0.710 -0.583 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.864 -2.164 0.710 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.172 -2.393 2.020 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.296 -3.484 2.832 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.252 -1.509 2.669 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.508 -3.331 3.947 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.857 -2.128 3.871 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.722 -0.255 2.351 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.958 -1.535 4.753 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.830 0.332 3.228 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.455 -0.307 4.417 1.00 0.00 C ATOM 0 H TRP A 114 -7.157 -2.999 1.087 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.894 -0.514 1.620 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.192 -3.123 0.309 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.151 -1.748 -0.001 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.921 -4.341 2.628 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.422 -4.004 4.708 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -3.005 0.246 1.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.668 -2.026 5.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -1.414 1.301 2.993 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.756 0.179 5.081 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.828 -1.106 -1.485 1.00 0.00 N ATOM 1763 CA GLU A 115 -7.051 -0.477 -2.782 1.00 0.00 C ATOM 1764 C GLU A 115 -7.984 0.723 -2.650 1.00 0.00 C ATOM 1765 O GLU A 115 -7.727 1.789 -3.211 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.638 -1.487 -3.769 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.696 -0.977 -5.200 1.00 0.00 C ATOM 1768 CD GLU A 115 -8.571 0.252 -5.346 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -9.731 0.212 -4.882 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -8.098 1.253 -5.923 1.00 0.00 O ATOM 0 H GLU A 115 -7.157 -2.069 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.089 -0.129 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.041 -2.399 -3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.644 -1.755 -3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -6.687 -0.742 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.075 -1.767 -5.848 1.00 0.00 H new ATOM 1777 N LYS A 116 -9.070 0.542 -1.905 1.00 0.00 N ATOM 1778 CA LYS A 116 -10.042 1.609 -1.698 1.00 0.00 C ATOM 1779 C LYS A 116 -9.440 2.742 -0.874 1.00 0.00 C ATOM 1780 O LYS A 116 -9.691 3.917 -1.140 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.289 1.061 -0.999 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.288 0.424 -1.948 1.00 0.00 C ATOM 1783 CD LYS A 116 -13.466 -0.175 -1.198 1.00 0.00 C ATOM 1784 CE LYS A 116 -13.130 -1.548 -0.637 1.00 0.00 C ATOM 1785 NZ LYS A 116 -14.340 -2.251 -0.128 1.00 0.00 N ATOM 0 H LYS A 116 -9.299 -0.334 -1.435 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.324 2.005 -2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.984 0.323 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.779 1.872 -0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -12.648 1.172 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -11.793 -0.353 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.757 0.490 -0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -14.323 -0.254 -1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -12.659 -2.152 -1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -12.405 -1.443 0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -14.069 -3.183 0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -14.776 -1.688 0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.022 -2.374 -0.904 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.644 2.381 0.127 1.00 0.00 N ATOM 1800 CA ALA A 117 -8.003 3.367 0.988 1.00 0.00 C ATOM 1801 C ALA A 117 -6.902 4.114 0.242 1.00 0.00 C ATOM 1802 O ALA A 117 -7.017 5.312 -0.017 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.440 2.696 2.232 1.00 0.00 C ATOM 0 H ALA A 117 -8.428 1.412 0.362 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.757 4.093 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.964 3.445 2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -8.248 2.215 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.704 1.947 1.940 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.835 3.398 -0.099 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.714 3.994 -0.815 1.00 0.00 C ATOM 1811 C ILE A 118 -5.199 4.959 -1.891 1.00 0.00 C ATOM 1812 O ILE A 118 -4.575 5.990 -2.141 1.00 0.00 O ATOM 1813 CB ILE A 118 -3.828 2.917 -1.468 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.208 2.017 -0.398 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -2.743 3.566 -2.315 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.627 0.733 -0.949 1.00 0.00 C ATOM 0 H ILE A 118 -5.724 2.406 0.109 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.124 4.541 -0.080 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.450 2.301 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.423 2.569 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.968 1.773 0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.125 2.792 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.204 4.169 -3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.122 4.203 -1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.205 0.145 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.413 0.160 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.844 0.968 -1.670 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.317 4.618 -2.524 1.00 0.00 N ATOM 1829 CA ARG A 119 -6.887 5.454 -3.573 1.00 0.00 C ATOM 1830 C ARG A 119 -7.619 6.652 -2.976 1.00 0.00 C ATOM 1831 O ARG A 119 -7.345 7.798 -3.329 1.00 0.00 O ATOM 1832 CB ARG A 119 -7.845 4.638 -4.442 1.00 0.00 C ATOM 1833 CG ARG A 119 -7.964 5.152 -5.867 1.00 0.00 C ATOM 1834 CD ARG A 119 -9.004 6.257 -5.975 1.00 0.00 C ATOM 1835 NE ARG A 119 -10.345 5.781 -5.646 1.00 0.00 N ATOM 1836 CZ ARG A 119 -11.437 6.530 -5.750 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -11.347 7.783 -6.172 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -12.622 6.025 -5.432 1.00 0.00 N ATOM 0 H ARG A 119 -6.846 3.768 -2.328 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.070 5.822 -4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.507 3.602 -4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -8.832 4.641 -3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -6.997 5.527 -6.202 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -8.234 4.330 -6.530 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -8.735 7.074 -5.306 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -9.001 6.660 -6.988 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.449 4.821 -5.318 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -10.438 8.174 -6.418 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -12.187 8.356 -6.251 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -12.695 5.061 -5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -13.460 6.601 -5.512 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.552 6.377 -2.069 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.325 7.432 -1.424 1.00 0.00 C ATOM 1854 C GLN A 120 -8.406 8.500 -0.840 1.00 0.00 C ATOM 1855 O GLN A 120 -8.619 9.694 -1.043 1.00 0.00 O ATOM 1856 CB GLN A 120 -10.209 6.845 -0.323 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.237 7.825 0.219 1.00 0.00 C ATOM 1858 CD GLN A 120 -11.719 7.456 1.608 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -11.881 6.279 1.930 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -11.951 8.464 2.441 1.00 0.00 N ATOM 0 H GLN A 120 -8.790 5.433 -1.765 1.00 0.00 H new ATOM 0 HA GLN A 120 -9.959 7.897 -2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.726 5.968 -0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.576 6.505 0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -10.803 8.825 0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -12.090 7.863 -0.459 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -11.803 9.425 2.132 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -12.277 8.277 3.389 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.384 8.060 -0.113 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.432 8.978 0.500 1.00 0.00 C ATOM 1871 C ALA A 121 -5.920 9.996 -0.514 1.00 0.00 C ATOM 1872 O ALA A 121 -5.650 11.148 -0.172 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.270 8.206 1.108 1.00 0.00 C ATOM 0 H ALA A 121 -7.194 7.074 0.066 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.947 9.521 1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.567 8.904 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.646 7.523 1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.764 7.637 0.328 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.787 9.563 -1.763 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.306 10.437 -2.828 1.00 0.00 C ATOM 1881 C LEU A 122 -6.092 11.744 -2.857 1.00 0.00 C ATOM 1882 O LEU A 122 -5.513 12.826 -2.948 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.416 9.732 -4.182 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.659 8.410 -4.313 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -4.944 7.765 -5.661 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.165 8.630 -4.130 1.00 0.00 C ATOM 0 H LEU A 122 -6.005 8.613 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.260 10.668 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.470 9.546 -4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.056 10.412 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 122 -5.004 7.736 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.397 6.825 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.013 7.572 -5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.626 8.435 -6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.643 7.678 -4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -2.803 9.321 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.977 9.048 -3.141 1.00 0.00 H new