USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 506 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 17 SER OG : rot -62:sc= 0.242 USER MOD Set 1.2: A 19 ASN : amide:sc= 0.621 K(o=1.4,f=0.57) USER MOD Set 1.3: A 20 THR OG1 : rot -170:sc= 0.518 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -31:sc= 0.0144 USER MOD Single : A 56 SER OG : rot 166:sc= 1.28 USER MOD Single : A 58 SER OG : rot 74:sc= 1.07 USER MOD Single : A 59 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.015) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 169:sc= 0 (180deg=-0.122) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 70 MET CE :methyl 161:sc= 0 (180deg=-0.448) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 73 LYS NZ :NH3+ 178:sc= 1.31 (180deg=1.18) USER MOD Single : A 79 SER OG : rot 39:sc= 0.0729 USER MOD Single : A 83 ASN : amide:sc= 0.653 K(o=0.65,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N TYR A 9 8.129 0.060 -10.282 1.00 0.00 N ATOM 101 CA TYR A 9 8.245 -0.474 -8.919 1.00 0.00 C ATOM 102 C TYR A 9 7.039 -0.054 -8.060 1.00 0.00 C ATOM 103 O TYR A 9 7.135 0.865 -7.248 1.00 0.00 O ATOM 104 CB TYR A 9 9.597 -0.050 -8.308 1.00 0.00 C ATOM 105 CG TYR A 9 10.804 -0.192 -9.220 1.00 0.00 C ATOM 106 CD1 TYR A 9 11.013 -1.376 -9.956 1.00 0.00 C ATOM 107 CD2 TYR A 9 11.698 0.888 -9.367 1.00 0.00 C ATOM 108 CE1 TYR A 9 12.083 -1.463 -10.863 1.00 0.00 C ATOM 109 CE2 TYR A 9 12.777 0.799 -10.267 1.00 0.00 C ATOM 110 CZ TYR A 9 12.966 -0.375 -11.027 1.00 0.00 C ATOM 111 OH TYR A 9 13.967 -0.436 -11.944 1.00 0.00 O ATOM 0 HA TYR A 9 8.229 -1.563 -8.950 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.522 0.991 -7.993 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.771 -0.643 -7.410 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.350 -2.218 -9.823 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.555 1.788 -8.787 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.230 -2.366 -11.437 1.00 0.00 H new ATOM 0 HE2 TYR A 9 13.460 1.629 -10.376 1.00 0.00 H new ATOM 0 HH TYR A 9 14.479 0.399 -11.925 1.00 0.00 H new ATOM 121 N ARG A 10 5.890 -0.725 -8.216 1.00 0.00 N ATOM 122 CA ARG A 10 4.677 -0.470 -7.415 1.00 0.00 C ATOM 123 C ARG A 10 3.870 -1.727 -7.081 1.00 0.00 C ATOM 124 O ARG A 10 3.946 -2.739 -7.780 1.00 0.00 O ATOM 125 CB ARG A 10 3.823 0.631 -8.073 1.00 0.00 C ATOM 126 CG ARG A 10 3.196 0.227 -9.413 1.00 0.00 C ATOM 127 CD ARG A 10 2.392 1.402 -9.976 1.00 0.00 C ATOM 128 NE ARG A 10 1.661 1.003 -11.190 1.00 0.00 N ATOM 129 CZ ARG A 10 0.361 1.044 -11.399 1.00 0.00 C ATOM 130 NH1 ARG A 10 -0.504 1.512 -10.549 1.00 0.00 N ATOM 131 NH2 ARG A 10 -0.119 0.603 -12.520 1.00 0.00 N ATOM 0 H ARG A 10 5.771 -1.467 -8.906 1.00 0.00 H new ATOM 0 HA ARG A 10 5.013 -0.109 -6.443 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.028 0.918 -7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.444 1.513 -8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.975 -0.065 -10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.548 -0.639 -9.277 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.689 1.760 -9.224 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.063 2.230 -10.206 1.00 0.00 H new ATOM 0 HE ARG A 10 2.229 0.653 -11.962 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.189 1.880 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.498 1.512 -10.780 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.509 0.228 -13.231 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.124 0.631 -12.690 1.00 0.00 H new ATOM 145 N CYS A 11 3.083 -1.655 -6.009 1.00 0.00 N ATOM 146 CA CYS A 11 2.321 -2.774 -5.444 1.00 0.00 C ATOM 147 C CYS A 11 0.934 -2.342 -4.914 1.00 0.00 C ATOM 148 O CYS A 11 0.716 -1.166 -4.617 1.00 0.00 O ATOM 149 CB CYS A 11 3.209 -3.472 -4.395 1.00 0.00 C ATOM 150 SG CYS A 11 3.323 -2.491 -2.870 1.00 0.00 S ATOM 0 H CYS A 11 2.952 -0.787 -5.490 1.00 0.00 H new ATOM 0 HA CYS A 11 2.078 -3.495 -6.225 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.801 -4.457 -4.167 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.207 -3.628 -4.805 1.00 0.00 H new ATOM 0 HG CYS A 11 4.076 -3.111 -2.011 1.00 0.00 H new ATOM 156 N PHE A 12 -0.004 -3.287 -4.829 1.00 0.00 N ATOM 157 CA PHE A 12 -1.350 -3.149 -4.260 1.00 0.00 C ATOM 158 C PHE A 12 -1.401 -3.722 -2.832 1.00 0.00 C ATOM 159 O PHE A 12 -0.825 -4.787 -2.567 1.00 0.00 O ATOM 160 CB PHE A 12 -2.341 -3.866 -5.194 1.00 0.00 C ATOM 161 CG PHE A 12 -3.804 -3.824 -4.782 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.480 -2.593 -4.683 1.00 0.00 C ATOM 163 CD2 PHE A 12 -4.513 -5.020 -4.546 1.00 0.00 C ATOM 164 CE1 PHE A 12 -5.844 -2.554 -4.344 1.00 0.00 C ATOM 165 CE2 PHE A 12 -5.879 -4.982 -4.209 1.00 0.00 C ATOM 166 CZ PHE A 12 -6.545 -3.748 -4.102 1.00 0.00 C ATOM 0 H PHE A 12 0.165 -4.231 -5.178 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.621 -2.096 -4.184 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.253 -3.428 -6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.039 -4.910 -5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.947 -1.672 -4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.005 -5.970 -4.624 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.354 -1.605 -4.269 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.417 -5.902 -4.032 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.591 -3.718 -3.835 1.00 0.00 H new ATOM 176 N VAL A 13 -2.112 -3.046 -1.923 1.00 0.00 N ATOM 177 CA VAL A 13 -2.180 -3.353 -0.483 1.00 0.00 C ATOM 178 C VAL A 13 -3.611 -3.291 0.047 1.00 0.00 C ATOM 179 O VAL A 13 -4.351 -2.364 -0.274 1.00 0.00 O ATOM 180 CB VAL A 13 -1.305 -2.400 0.366 1.00 0.00 C ATOM 181 CG1 VAL A 13 0.181 -2.741 0.274 1.00 0.00 C ATOM 182 CG2 VAL A 13 -1.453 -0.912 0.021 1.00 0.00 C ATOM 0 H VAL A 13 -2.680 -2.237 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.798 -4.369 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.682 -2.558 1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.753 -2.044 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.344 -3.757 0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.508 -2.665 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.802 -0.322 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.174 -0.750 -1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.488 -0.605 0.171 1.00 0.00 H new ATOM 192 N GLY A 14 -3.983 -4.233 0.916 1.00 0.00 N ATOM 193 CA GLY A 14 -5.216 -4.179 1.717 1.00 0.00 C ATOM 194 C GLY A 14 -4.895 -4.154 3.211 1.00 0.00 C ATOM 195 O GLY A 14 -4.192 -5.049 3.683 1.00 0.00 O ATOM 0 H GLY A 14 -3.428 -5.071 1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.790 -3.292 1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.840 -5.043 1.489 1.00 0.00 H new ATOM 199 N SER A 15 -5.394 -3.155 3.948 1.00 0.00 N ATOM 200 CA SER A 15 -5.160 -2.960 5.401 1.00 0.00 C ATOM 201 C SER A 15 -6.021 -1.853 6.026 1.00 0.00 C ATOM 202 O SER A 15 -6.362 -1.930 7.208 1.00 0.00 O ATOM 203 CB SER A 15 -3.694 -2.568 5.679 1.00 0.00 C ATOM 204 OG SER A 15 -3.244 -1.557 4.793 1.00 0.00 O ATOM 0 H SER A 15 -5.992 -2.433 3.546 1.00 0.00 H new ATOM 0 HA SER A 15 -5.424 -3.919 5.846 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.599 -2.219 6.707 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.057 -3.447 5.581 1.00 0.00 H new ATOM 0 HG SER A 15 -2.313 -1.332 4.999 1.00 0.00 H new ATOM 210 N LEU A 16 -6.315 -0.799 5.258 1.00 0.00 N ATOM 211 CA LEU A 16 -6.848 0.481 5.736 1.00 0.00 C ATOM 212 C LEU A 16 -8.248 0.350 6.357 1.00 0.00 C ATOM 213 O LEU A 16 -9.031 -0.536 6.013 1.00 0.00 O ATOM 214 CB LEU A 16 -6.881 1.514 4.586 1.00 0.00 C ATOM 215 CG LEU A 16 -5.627 1.657 3.719 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.966 2.637 2.605 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.461 2.222 4.505 1.00 0.00 C ATOM 0 H LEU A 16 -6.183 -0.815 4.247 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.176 0.824 6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.714 1.259 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.102 2.490 5.018 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.338 0.675 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.097 2.770 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.798 2.247 2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.246 3.597 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.591 2.308 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.725 3.207 4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.227 1.558 5.337 1.00 0.00 H new ATOM 229 N SER A 17 -8.576 1.308 7.215 1.00 0.00 N ATOM 230 CA SER A 17 -9.892 1.520 7.834 1.00 0.00 C ATOM 231 C SER A 17 -10.402 2.927 7.505 1.00 0.00 C ATOM 232 O SER A 17 -9.672 3.723 6.908 1.00 0.00 O ATOM 233 CB SER A 17 -9.784 1.335 9.352 1.00 0.00 C ATOM 234 OG SER A 17 -9.155 2.466 9.928 1.00 0.00 O ATOM 0 H SER A 17 -7.894 2.003 7.520 1.00 0.00 H new ATOM 0 HA SER A 17 -10.599 0.791 7.438 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.776 1.200 9.783 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.213 0.435 9.578 1.00 0.00 H new ATOM 0 HG SER A 17 -8.245 2.550 9.574 1.00 0.00 H new ATOM 240 N TRP A 18 -11.615 3.288 7.935 1.00 0.00 N ATOM 241 CA TRP A 18 -12.116 4.668 7.838 1.00 0.00 C ATOM 242 C TRP A 18 -11.150 5.723 8.422 1.00 0.00 C ATOM 243 O TRP A 18 -11.160 6.870 7.967 1.00 0.00 O ATOM 244 CB TRP A 18 -13.499 4.782 8.505 1.00 0.00 C ATOM 245 CG TRP A 18 -13.499 5.070 9.982 1.00 0.00 C ATOM 246 CD1 TRP A 18 -13.656 6.300 10.527 1.00 0.00 C ATOM 247 CD2 TRP A 18 -13.292 4.165 11.113 1.00 0.00 C ATOM 248 NE1 TRP A 18 -13.540 6.225 11.901 1.00 0.00 N ATOM 249 CE2 TRP A 18 -13.321 4.935 12.318 1.00 0.00 C ATOM 250 CE3 TRP A 18 -13.078 2.776 11.254 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -13.136 4.365 13.587 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -12.898 2.192 12.523 1.00 0.00 C ATOM 253 CH2 TRP A 18 -12.926 2.979 13.688 1.00 0.00 C ATOM 0 H TRP A 18 -12.277 2.637 8.359 1.00 0.00 H new ATOM 0 HA TRP A 18 -12.198 4.888 6.774 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -14.059 5.570 8.002 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -14.039 3.850 8.337 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -13.844 7.206 9.969 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.608 7.027 12.527 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -13.052 2.151 10.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.155 4.982 14.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -12.737 1.127 12.602 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.787 2.521 14.656 1.00 0.00 H new ATOM 264 N ASN A 19 -10.297 5.351 9.390 1.00 0.00 N ATOM 265 CA ASN A 19 -9.334 6.245 10.043 1.00 0.00 C ATOM 266 C ASN A 19 -7.870 6.091 9.568 1.00 0.00 C ATOM 267 O ASN A 19 -7.048 6.948 9.902 1.00 0.00 O ATOM 268 CB ASN A 19 -9.496 6.157 11.572 1.00 0.00 C ATOM 269 CG ASN A 19 -9.046 4.840 12.182 1.00 0.00 C ATOM 270 OD1 ASN A 19 -7.862 4.535 12.263 1.00 0.00 O ATOM 271 ND2 ASN A 19 -9.962 4.024 12.640 1.00 0.00 N ATOM 0 H ASN A 19 -10.259 4.396 9.747 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.579 7.258 9.725 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.930 6.967 12.031 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -10.544 6.319 11.823 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.689 3.137 13.063 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.948 4.276 12.574 1.00 0.00 H new ATOM 278 N THR A 20 -7.527 5.077 8.763 1.00 0.00 N ATOM 279 CA THR A 20 -6.223 5.000 8.065 1.00 0.00 C ATOM 280 C THR A 20 -6.252 5.805 6.763 1.00 0.00 C ATOM 281 O THR A 20 -7.297 5.882 6.108 1.00 0.00 O ATOM 282 CB THR A 20 -5.787 3.561 7.721 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.273 2.601 8.628 1.00 0.00 O ATOM 284 CG2 THR A 20 -4.265 3.421 7.725 1.00 0.00 C ATOM 0 H THR A 20 -8.140 4.284 8.573 1.00 0.00 H new ATOM 0 HA THR A 20 -5.502 5.415 8.769 1.00 0.00 H new ATOM 0 HB THR A 20 -6.205 3.380 6.731 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.841 1.739 8.455 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.993 2.395 7.479 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.835 4.097 6.986 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.879 3.671 8.713 1.00 0.00 H new ATOM 292 N ASP A 21 -5.115 6.352 6.328 1.00 0.00 N ATOM 293 CA ASP A 21 -4.958 6.867 4.962 1.00 0.00 C ATOM 294 C ASP A 21 -3.554 6.606 4.368 1.00 0.00 C ATOM 295 O ASP A 21 -2.786 5.804 4.911 1.00 0.00 O ATOM 296 CB ASP A 21 -5.400 8.358 4.883 1.00 0.00 C ATOM 297 CG ASP A 21 -4.460 9.401 5.517 1.00 0.00 C ATOM 298 OD1 ASP A 21 -3.508 9.022 6.233 1.00 0.00 O ATOM 299 OD2 ASP A 21 -4.676 10.625 5.314 1.00 0.00 O ATOM 0 H ASP A 21 -4.281 6.451 6.907 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.629 6.298 4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.533 8.617 3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.376 8.448 5.360 1.00 0.00 H new ATOM 304 N ASP A 22 -3.216 7.234 3.230 1.00 0.00 N ATOM 305 CA ASP A 22 -1.940 6.995 2.535 1.00 0.00 C ATOM 306 C ASP A 22 -0.720 7.216 3.445 1.00 0.00 C ATOM 307 O ASP A 22 0.264 6.491 3.318 1.00 0.00 O ATOM 308 CB ASP A 22 -1.774 7.873 1.275 1.00 0.00 C ATOM 309 CG ASP A 22 -1.729 9.375 1.580 1.00 0.00 C ATOM 310 OD1 ASP A 22 -2.768 9.932 2.004 1.00 0.00 O ATOM 311 OD2 ASP A 22 -0.649 9.993 1.410 1.00 0.00 O ATOM 0 H ASP A 22 -3.815 7.918 2.768 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.981 5.947 2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.857 7.587 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.599 7.673 0.591 1.00 0.00 H new ATOM 316 N ARG A 23 -0.798 8.167 4.390 1.00 0.00 N ATOM 317 CA ARG A 23 0.290 8.531 5.310 1.00 0.00 C ATOM 318 C ARG A 23 0.801 7.327 6.107 1.00 0.00 C ATOM 319 O ARG A 23 2.014 7.186 6.270 1.00 0.00 O ATOM 320 CB ARG A 23 -0.220 9.636 6.251 1.00 0.00 C ATOM 321 CG ARG A 23 0.889 10.270 7.104 1.00 0.00 C ATOM 322 CD ARG A 23 0.289 11.170 8.190 1.00 0.00 C ATOM 323 NE ARG A 23 1.313 11.661 9.127 1.00 0.00 N ATOM 324 CZ ARG A 23 1.851 10.990 10.128 1.00 0.00 C ATOM 325 NH1 ARG A 23 1.588 9.750 10.407 1.00 0.00 N ATOM 326 NH2 ARG A 23 2.706 11.570 10.906 1.00 0.00 N ATOM 0 H ARG A 23 -1.643 8.718 4.539 1.00 0.00 H new ATOM 0 HA ARG A 23 1.138 8.893 4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.702 10.414 5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.982 9.219 6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.492 9.488 7.565 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.555 10.853 6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.211 12.018 7.722 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.471 10.616 8.741 1.00 0.00 H new ATOM 0 HE ARG A 23 1.640 12.617 8.988 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.925 9.228 9.834 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.045 9.298 11.199 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.963 12.544 10.745 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.123 11.054 11.680 1.00 0.00 H new ATOM 340 N GLY A 24 -0.104 6.457 6.562 1.00 0.00 N ATOM 341 CA GLY A 24 0.206 5.296 7.398 1.00 0.00 C ATOM 342 C GLY A 24 0.836 4.135 6.631 1.00 0.00 C ATOM 343 O GLY A 24 1.689 3.443 7.194 1.00 0.00 O ATOM 0 H GLY A 24 -1.099 6.543 6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.884 5.604 8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.710 4.949 7.876 1.00 0.00 H new ATOM 347 N LEU A 25 0.488 3.968 5.346 1.00 0.00 N ATOM 348 CA LEU A 25 1.235 3.095 4.424 1.00 0.00 C ATOM 349 C LEU A 25 2.615 3.700 4.145 1.00 0.00 C ATOM 350 O LEU A 25 3.644 3.069 4.376 1.00 0.00 O ATOM 351 CB LEU A 25 0.484 2.906 3.085 1.00 0.00 C ATOM 352 CG LEU A 25 -0.934 2.334 3.179 1.00 0.00 C ATOM 353 CD1 LEU A 25 -1.589 2.405 1.795 1.00 0.00 C ATOM 354 CD2 LEU A 25 -0.927 0.881 3.660 1.00 0.00 C ATOM 0 H LEU A 25 -0.314 4.431 4.918 1.00 0.00 H new ATOM 0 HA LEU A 25 1.339 2.120 4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.431 3.872 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.077 2.248 2.450 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.495 2.924 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.600 2.000 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.631 3.443 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.003 1.822 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.951 0.511 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.356 0.269 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.469 0.827 4.648 1.00 0.00 H new ATOM 366 N GLU A 26 2.628 4.950 3.686 1.00 0.00 N ATOM 367 CA GLU A 26 3.806 5.709 3.271 1.00 0.00 C ATOM 368 C GLU A 26 4.897 5.702 4.349 1.00 0.00 C ATOM 369 O GLU A 26 6.042 5.385 4.040 1.00 0.00 O ATOM 370 CB GLU A 26 3.313 7.121 2.925 1.00 0.00 C ATOM 371 CG GLU A 26 4.362 8.127 2.452 1.00 0.00 C ATOM 372 CD GLU A 26 3.674 9.481 2.241 1.00 0.00 C ATOM 373 OE1 GLU A 26 3.263 10.111 3.244 1.00 0.00 O ATOM 374 OE2 GLU A 26 3.508 9.925 1.080 1.00 0.00 O ATOM 0 H GLU A 26 1.769 5.491 3.588 1.00 0.00 H new ATOM 0 HA GLU A 26 4.281 5.256 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.553 7.033 2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.822 7.533 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.160 8.218 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.822 7.787 1.524 1.00 0.00 H new ATOM 381 N ALA A 27 4.559 5.929 5.620 1.00 0.00 N ATOM 382 CA ALA A 27 5.532 5.930 6.713 1.00 0.00 C ATOM 383 C ALA A 27 6.041 4.532 7.122 1.00 0.00 C ATOM 384 O ALA A 27 7.147 4.423 7.662 1.00 0.00 O ATOM 385 CB ALA A 27 4.900 6.648 7.903 1.00 0.00 C ATOM 0 H ALA A 27 3.602 6.117 5.920 1.00 0.00 H new ATOM 0 HA ALA A 27 6.423 6.449 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.605 6.664 8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.650 7.670 7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.994 6.123 8.205 1.00 0.00 H new ATOM 391 N ALA A 28 5.278 3.466 6.860 1.00 0.00 N ATOM 392 CA ALA A 28 5.690 2.082 7.105 1.00 0.00 C ATOM 393 C ALA A 28 6.562 1.516 5.964 1.00 0.00 C ATOM 394 O ALA A 28 7.507 0.763 6.219 1.00 0.00 O ATOM 395 CB ALA A 28 4.438 1.237 7.356 1.00 0.00 C ATOM 0 H ALA A 28 4.341 3.543 6.465 1.00 0.00 H new ATOM 0 HA ALA A 28 6.326 2.051 7.990 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.728 0.203 7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.905 1.625 8.224 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.788 1.281 6.482 1.00 0.00 H new ATOM 401 N PHE A 29 6.283 1.914 4.717 1.00 0.00 N ATOM 402 CA PHE A 29 7.059 1.542 3.528 1.00 0.00 C ATOM 403 C PHE A 29 8.285 2.439 3.284 1.00 0.00 C ATOM 404 O PHE A 29 9.290 1.956 2.760 1.00 0.00 O ATOM 405 CB PHE A 29 6.142 1.519 2.296 1.00 0.00 C ATOM 406 CG PHE A 29 5.252 0.293 2.179 1.00 0.00 C ATOM 407 CD1 PHE A 29 5.801 -0.918 1.719 1.00 0.00 C ATOM 408 CD2 PHE A 29 3.876 0.360 2.464 1.00 0.00 C ATOM 409 CE1 PHE A 29 4.976 -2.040 1.519 1.00 0.00 C ATOM 410 CE2 PHE A 29 3.058 -0.772 2.308 1.00 0.00 C ATOM 411 CZ PHE A 29 3.608 -1.972 1.827 1.00 0.00 C ATOM 0 H PHE A 29 5.491 2.519 4.501 1.00 0.00 H new ATOM 0 HA PHE A 29 7.458 0.544 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.510 2.407 2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.760 1.587 1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.860 -0.987 1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.445 1.289 2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.396 -2.955 1.128 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.008 -0.720 2.557 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.980 -2.840 1.694 1.00 0.00 H new ATOM 421 N SER A 30 8.264 3.706 3.713 1.00 0.00 N ATOM 422 CA SER A 30 9.393 4.642 3.562 1.00 0.00 C ATOM 423 C SER A 30 10.677 4.152 4.256 1.00 0.00 C ATOM 424 O SER A 30 11.782 4.514 3.848 1.00 0.00 O ATOM 425 CB SER A 30 8.978 6.022 4.094 1.00 0.00 C ATOM 426 OG SER A 30 10.047 6.939 4.030 1.00 0.00 O ATOM 0 H SER A 30 7.456 4.118 4.180 1.00 0.00 H new ATOM 0 HA SER A 30 9.631 4.707 2.500 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.137 6.400 3.513 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.637 5.929 5.125 1.00 0.00 H new ATOM 0 HG SER A 30 9.753 7.808 4.374 1.00 0.00 H new ATOM 432 N SER A 31 10.563 3.264 5.249 1.00 0.00 N ATOM 433 CA SER A 31 11.710 2.638 5.926 1.00 0.00 C ATOM 434 C SER A 31 12.488 1.661 5.028 1.00 0.00 C ATOM 435 O SER A 31 13.654 1.369 5.301 1.00 0.00 O ATOM 436 CB SER A 31 11.241 1.920 7.196 1.00 0.00 C ATOM 437 OG SER A 31 10.406 2.765 7.969 1.00 0.00 O ATOM 0 H SER A 31 9.661 2.954 5.612 1.00 0.00 H new ATOM 0 HA SER A 31 12.398 3.444 6.181 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.700 1.012 6.928 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.104 1.614 7.787 1.00 0.00 H new ATOM 0 HG SER A 31 10.115 2.289 8.775 1.00 0.00 H new ATOM 443 N PHE A 32 11.894 1.182 3.928 1.00 0.00 N ATOM 444 CA PHE A 32 12.577 0.345 2.933 1.00 0.00 C ATOM 445 C PHE A 32 13.347 1.188 1.906 1.00 0.00 C ATOM 446 O PHE A 32 14.494 0.863 1.592 1.00 0.00 O ATOM 447 CB PHE A 32 11.571 -0.607 2.266 1.00 0.00 C ATOM 448 CG PHE A 32 11.006 -1.643 3.221 1.00 0.00 C ATOM 449 CD1 PHE A 32 9.887 -1.343 4.022 1.00 0.00 C ATOM 450 CD2 PHE A 32 11.629 -2.897 3.345 1.00 0.00 C ATOM 451 CE1 PHE A 32 9.397 -2.290 4.940 1.00 0.00 C ATOM 452 CE2 PHE A 32 11.147 -3.839 4.269 1.00 0.00 C ATOM 453 CZ PHE A 32 10.028 -3.540 5.064 1.00 0.00 C ATOM 0 H PHE A 32 10.917 1.366 3.701 1.00 0.00 H new ATOM 0 HA PHE A 32 13.324 -0.259 3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.751 -0.024 1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.058 -1.116 1.434 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.403 -0.382 3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.482 -3.137 2.727 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.536 -2.057 5.549 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.638 -4.796 4.368 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.654 -4.268 5.768 1.00 0.00 H new ATOM 463 N GLY A 33 12.779 2.307 1.447 1.00 0.00 N ATOM 464 CA GLY A 33 13.454 3.258 0.556 1.00 0.00 C ATOM 465 C GLY A 33 12.590 4.461 0.168 1.00 0.00 C ATOM 466 O GLY A 33 11.513 4.665 0.727 1.00 0.00 O ATOM 0 H GLY A 33 11.826 2.582 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.361 3.616 1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.762 2.737 -0.350 1.00 0.00 H new ATOM 470 N GLU A 34 13.054 5.272 -0.785 1.00 0.00 N ATOM 471 CA GLU A 34 12.323 6.448 -1.288 1.00 0.00 C ATOM 472 C GLU A 34 10.978 6.072 -1.944 1.00 0.00 C ATOM 473 O GLU A 34 10.948 5.435 -3.005 1.00 0.00 O ATOM 474 CB GLU A 34 13.169 7.224 -2.305 1.00 0.00 C ATOM 475 CG GLU A 34 14.378 7.976 -1.740 1.00 0.00 C ATOM 476 CD GLU A 34 15.038 8.808 -2.848 1.00 0.00 C ATOM 477 OE1 GLU A 34 14.345 9.654 -3.472 1.00 0.00 O ATOM 478 OE2 GLU A 34 16.241 8.598 -3.141 1.00 0.00 O ATOM 0 H GLU A 34 13.958 5.133 -1.237 1.00 0.00 H new ATOM 0 HA GLU A 34 12.118 7.072 -0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.523 6.524 -3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.524 7.942 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.064 8.626 -0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.097 7.269 -1.327 1.00 0.00 H new ATOM 485 N ILE A 35 9.867 6.536 -1.363 1.00 0.00 N ATOM 486 CA ILE A 35 8.514 6.394 -1.921 1.00 0.00 C ATOM 487 C ILE A 35 8.219 7.536 -2.891 1.00 0.00 C ATOM 488 O ILE A 35 8.487 8.699 -2.597 1.00 0.00 O ATOM 489 CB ILE A 35 7.465 6.302 -0.785 1.00 0.00 C ATOM 490 CG1 ILE A 35 7.514 4.926 -0.083 1.00 0.00 C ATOM 491 CG2 ILE A 35 6.021 6.602 -1.244 1.00 0.00 C ATOM 492 CD1 ILE A 35 7.204 3.733 -1.000 1.00 0.00 C ATOM 0 H ILE A 35 9.881 7.032 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 35 8.455 5.464 -2.487 1.00 0.00 H new ATOM 0 HB ILE A 35 7.742 7.084 -0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.505 4.788 0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.803 4.928 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.344 6.518 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.971 7.613 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.728 5.888 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.261 2.808 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.201 3.843 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.930 3.700 -1.813 1.00 0.00 H new ATOM 504 N LEU A 36 7.614 7.209 -4.032 1.00 0.00 N ATOM 505 CA LEU A 36 7.136 8.185 -5.010 1.00 0.00 C ATOM 506 C LEU A 36 5.674 8.570 -4.756 1.00 0.00 C ATOM 507 O LEU A 36 5.341 9.757 -4.790 1.00 0.00 O ATOM 508 CB LEU A 36 7.326 7.626 -6.433 1.00 0.00 C ATOM 509 CG LEU A 36 8.788 7.337 -6.823 1.00 0.00 C ATOM 510 CD1 LEU A 36 8.826 6.723 -8.217 1.00 0.00 C ATOM 511 CD2 LEU A 36 9.654 8.597 -6.832 1.00 0.00 C ATOM 0 H LEU A 36 7.439 6.242 -4.307 1.00 0.00 H new ATOM 0 HA LEU A 36 7.725 9.096 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.751 6.705 -6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.908 8.336 -7.146 1.00 0.00 H new ATOM 0 HG LEU A 36 9.189 6.654 -6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.859 6.517 -8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.257 5.793 -8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.389 7.419 -8.933 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.674 8.335 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.251 9.310 -7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.655 9.045 -5.838 1.00 0.00 H new ATOM 523 N ASP A 37 4.797 7.592 -4.498 1.00 0.00 N ATOM 524 CA ASP A 37 3.355 7.842 -4.372 1.00 0.00 C ATOM 525 C ASP A 37 2.621 6.721 -3.627 1.00 0.00 C ATOM 526 O ASP A 37 3.085 5.579 -3.628 1.00 0.00 O ATOM 527 CB ASP A 37 2.727 8.124 -5.760 1.00 0.00 C ATOM 528 CG ASP A 37 2.078 6.949 -6.505 1.00 0.00 C ATOM 529 OD1 ASP A 37 0.927 6.585 -6.165 1.00 0.00 O ATOM 530 OD2 ASP A 37 2.662 6.440 -7.495 1.00 0.00 O ATOM 0 H ASP A 37 5.062 6.615 -4.372 1.00 0.00 H new ATOM 0 HA ASP A 37 3.234 8.734 -3.757 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.971 8.899 -5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.505 8.538 -6.401 1.00 0.00 H new ATOM 535 N ALA A 38 1.468 7.034 -3.030 1.00 0.00 N ATOM 536 CA ALA A 38 0.501 6.042 -2.586 1.00 0.00 C ATOM 537 C ALA A 38 -0.934 6.508 -2.892 1.00 0.00 C ATOM 538 O ALA A 38 -1.213 7.714 -2.930 1.00 0.00 O ATOM 539 CB ALA A 38 0.734 5.740 -1.101 1.00 0.00 C ATOM 0 H ALA A 38 1.182 7.995 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 38 0.638 5.111 -3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.012 4.997 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.744 5.354 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.612 6.654 -0.520 1.00 0.00 H new ATOM 545 N LYS A 39 -1.843 5.559 -3.137 1.00 0.00 N ATOM 546 CA LYS A 39 -3.295 5.786 -3.266 1.00 0.00 C ATOM 547 C LYS A 39 -3.999 5.298 -2.007 1.00 0.00 C ATOM 548 O LYS A 39 -3.722 4.191 -1.555 1.00 0.00 O ATOM 549 CB LYS A 39 -3.845 5.072 -4.522 1.00 0.00 C ATOM 550 CG LYS A 39 -5.377 5.140 -4.740 1.00 0.00 C ATOM 551 CD LYS A 39 -5.882 6.584 -4.882 1.00 0.00 C ATOM 552 CE LYS A 39 -7.366 6.627 -5.255 1.00 0.00 C ATOM 553 NZ LYS A 39 -7.923 7.994 -5.128 1.00 0.00 N ATOM 0 H LYS A 39 -1.585 4.579 -3.256 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.484 6.853 -3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.356 5.498 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.553 4.023 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.640 4.576 -5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.883 4.661 -3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.726 7.119 -3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.299 7.101 -5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.494 6.275 -6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.923 5.946 -4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.930 7.984 -5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.823 8.320 -4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.408 8.639 -5.761 1.00 0.00 H new ATOM 567 N ILE A 40 -4.959 6.069 -1.511 1.00 0.00 N ATOM 568 CA ILE A 40 -6.021 5.601 -0.611 1.00 0.00 C ATOM 569 C ILE A 40 -7.374 5.745 -1.309 1.00 0.00 C ATOM 570 O ILE A 40 -7.574 6.680 -2.088 1.00 0.00 O ATOM 571 CB ILE A 40 -5.950 6.317 0.756 1.00 0.00 C ATOM 572 CG1 ILE A 40 -7.098 5.895 1.702 1.00 0.00 C ATOM 573 CG2 ILE A 40 -5.846 7.844 0.632 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.377 6.750 1.711 1.00 0.00 C ATOM 0 H ILE A 40 -5.028 7.064 -1.726 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.881 4.543 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.019 5.983 1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.381 4.873 1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.703 5.874 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.800 8.287 1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.945 8.103 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.720 8.227 0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -9.090 6.331 2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.130 7.771 2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.819 6.755 0.714 1.00 0.00 H new ATOM 586 N ILE A 41 -8.293 4.804 -1.068 1.00 0.00 N ATOM 587 CA ILE A 41 -9.667 4.918 -1.576 1.00 0.00 C ATOM 588 C ILE A 41 -10.777 4.569 -0.570 1.00 0.00 C ATOM 589 O ILE A 41 -10.665 3.657 0.257 1.00 0.00 O ATOM 590 CB ILE A 41 -9.777 4.255 -2.966 1.00 0.00 C ATOM 591 CG1 ILE A 41 -11.066 4.601 -3.741 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.546 2.739 -2.941 1.00 0.00 C ATOM 593 CD1 ILE A 41 -11.233 6.099 -4.038 1.00 0.00 C ATOM 0 H ILE A 41 -8.113 3.958 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.873 5.979 -1.720 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.954 4.704 -3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.070 4.052 -4.682 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.926 4.257 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.638 2.340 -3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.547 2.529 -2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.288 2.268 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.162 6.260 -4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.262 6.655 -3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.393 6.446 -4.640 1.00 0.00 H new ATOM 715 N SER A 49 -15.493 3.254 3.741 1.00 0.00 N ATOM 716 CA SER A 49 -14.163 2.712 3.432 1.00 0.00 C ATOM 717 C SER A 49 -14.172 1.615 2.358 1.00 0.00 C ATOM 718 O SER A 49 -15.074 0.775 2.310 1.00 0.00 O ATOM 719 CB SER A 49 -13.492 2.204 4.714 1.00 0.00 C ATOM 720 OG SER A 49 -14.199 1.112 5.279 1.00 0.00 O ATOM 0 HA SER A 49 -13.587 3.535 3.010 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.469 1.900 4.493 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.434 3.015 5.440 1.00 0.00 H new ATOM 0 HG SER A 49 -15.155 1.207 5.087 1.00 0.00 H new ATOM 726 N ARG A 50 -13.121 1.582 1.528 1.00 0.00 N ATOM 727 CA ARG A 50 -12.763 0.416 0.688 1.00 0.00 C ATOM 728 C ARG A 50 -11.670 -0.411 1.373 1.00 0.00 C ATOM 729 O ARG A 50 -11.729 -1.642 1.415 1.00 0.00 O ATOM 730 CB ARG A 50 -12.331 0.868 -0.722 1.00 0.00 C ATOM 731 CG ARG A 50 -13.426 1.595 -1.530 1.00 0.00 C ATOM 732 CD ARG A 50 -13.982 0.772 -2.700 1.00 0.00 C ATOM 733 NE ARG A 50 -14.758 -0.399 -2.244 1.00 0.00 N ATOM 734 CZ ARG A 50 -15.901 -0.831 -2.743 1.00 0.00 C ATOM 735 NH1 ARG A 50 -16.437 -0.368 -3.828 1.00 0.00 N ATOM 736 NH2 ARG A 50 -16.548 -1.782 -2.150 1.00 0.00 N ATOM 0 H ARG A 50 -12.484 2.370 1.415 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.643 -0.217 0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.469 1.528 -0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.004 -0.006 -1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.245 1.857 -0.860 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.019 2.530 -1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.616 1.407 -3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.158 0.436 -3.329 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.371 -0.928 -1.463 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.972 0.375 -4.350 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.324 -0.746 -4.160 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.175 -2.198 -1.297 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.431 -2.116 -2.536 1.00 0.00 H new ATOM 750 N GLY A 51 -10.719 0.284 1.998 1.00 0.00 N ATOM 751 CA GLY A 51 -9.712 -0.292 2.897 1.00 0.00 C ATOM 752 C GLY A 51 -8.433 -0.792 2.206 1.00 0.00 C ATOM 753 O GLY A 51 -7.653 -1.547 2.785 1.00 0.00 O ATOM 0 H GLY A 51 -10.623 1.294 1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.437 0.459 3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.163 -1.124 3.438 1.00 0.00 H new ATOM 757 N PHE A 52 -8.209 -0.370 0.962 1.00 0.00 N ATOM 758 CA PHE A 52 -7.058 -0.747 0.143 1.00 0.00 C ATOM 759 C PHE A 52 -6.445 0.465 -0.565 1.00 0.00 C ATOM 760 O PHE A 52 -7.021 1.555 -0.598 1.00 0.00 O ATOM 761 CB PHE A 52 -7.425 -1.886 -0.828 1.00 0.00 C ATOM 762 CG PHE A 52 -8.706 -1.742 -1.633 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.790 -0.808 -2.685 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.786 -2.615 -1.395 1.00 0.00 C ATOM 765 CE1 PHE A 52 -9.936 -0.761 -3.499 1.00 0.00 C ATOM 766 CE2 PHE A 52 -10.933 -2.566 -2.207 1.00 0.00 C ATOM 767 CZ PHE A 52 -11.004 -1.646 -3.267 1.00 0.00 C ATOM 0 H PHE A 52 -8.846 0.265 0.481 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.282 -1.132 0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.600 -2.008 -1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.493 -2.809 -0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.972 -0.126 -2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.733 -3.326 -0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.996 -0.044 -4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.759 -3.235 -2.016 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.877 -1.619 -3.902 1.00 0.00 H new ATOM 777 N GLY A 53 -5.248 0.261 -1.105 1.00 0.00 N ATOM 778 CA GLY A 53 -4.441 1.289 -1.744 1.00 0.00 C ATOM 779 C GLY A 53 -3.347 0.722 -2.644 1.00 0.00 C ATOM 780 O GLY A 53 -3.134 -0.488 -2.713 1.00 0.00 O ATOM 0 H GLY A 53 -4.800 -0.655 -1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.090 1.936 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.984 1.912 -0.976 1.00 0.00 H new ATOM 784 N PHE A 54 -2.643 1.613 -3.334 1.00 0.00 N ATOM 785 CA PHE A 54 -1.410 1.310 -4.071 1.00 0.00 C ATOM 786 C PHE A 54 -0.215 2.032 -3.426 1.00 0.00 C ATOM 787 O PHE A 54 -0.414 3.058 -2.772 1.00 0.00 O ATOM 788 CB PHE A 54 -1.585 1.643 -5.561 1.00 0.00 C ATOM 789 CG PHE A 54 -2.635 0.808 -6.280 1.00 0.00 C ATOM 790 CD1 PHE A 54 -3.993 1.183 -6.252 1.00 0.00 C ATOM 791 CD2 PHE A 54 -2.254 -0.354 -6.980 1.00 0.00 C ATOM 792 CE1 PHE A 54 -4.964 0.391 -6.893 1.00 0.00 C ATOM 793 CE2 PHE A 54 -3.222 -1.135 -7.638 1.00 0.00 C ATOM 794 CZ PHE A 54 -4.579 -0.769 -7.587 1.00 0.00 C ATOM 0 H PHE A 54 -2.917 2.593 -3.401 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.199 0.242 -4.013 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.851 2.696 -5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.627 1.510 -6.064 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.291 2.084 -5.736 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.215 -0.646 -7.012 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.005 0.675 -6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.922 -2.018 -8.183 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.323 -1.377 -8.080 1.00 0.00 H new ATOM 804 N VAL A 55 1.006 1.508 -3.588 1.00 0.00 N ATOM 805 CA VAL A 55 2.264 2.102 -3.085 1.00 0.00 C ATOM 806 C VAL A 55 3.382 1.954 -4.126 1.00 0.00 C ATOM 807 O VAL A 55 3.604 0.853 -4.638 1.00 0.00 O ATOM 808 CB VAL A 55 2.694 1.458 -1.746 1.00 0.00 C ATOM 809 CG1 VAL A 55 3.984 2.084 -1.199 1.00 0.00 C ATOM 810 CG2 VAL A 55 1.626 1.603 -0.652 1.00 0.00 C ATOM 0 H VAL A 55 1.157 0.632 -4.087 1.00 0.00 H new ATOM 0 HA VAL A 55 2.083 3.162 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 55 2.846 0.404 -1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.251 1.603 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.790 1.944 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.828 3.150 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.980 1.134 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.434 2.660 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.705 1.118 -0.976 1.00 0.00 H new ATOM 820 N SER A 56 4.106 3.045 -4.406 1.00 0.00 N ATOM 821 CA SER A 56 5.140 3.161 -5.454 1.00 0.00 C ATOM 822 C SER A 56 6.516 3.547 -4.899 1.00 0.00 C ATOM 823 O SER A 56 6.647 4.527 -4.166 1.00 0.00 O ATOM 824 CB SER A 56 4.738 4.228 -6.477 1.00 0.00 C ATOM 825 OG SER A 56 3.448 4.003 -6.998 1.00 0.00 O ATOM 0 H SER A 56 3.985 3.914 -3.886 1.00 0.00 H new ATOM 0 HA SER A 56 5.214 2.175 -5.912 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.773 5.211 -6.008 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.461 4.239 -7.292 1.00 0.00 H new ATOM 0 HG SER A 56 3.136 4.810 -7.459 1.00 0.00 H new ATOM 831 N PHE A 57 7.561 2.833 -5.317 1.00 0.00 N ATOM 832 CA PHE A 57 8.956 2.969 -4.882 1.00 0.00 C ATOM 833 C PHE A 57 9.846 3.576 -5.981 1.00 0.00 C ATOM 834 O PHE A 57 9.531 3.502 -7.172 1.00 0.00 O ATOM 835 CB PHE A 57 9.509 1.589 -4.477 1.00 0.00 C ATOM 836 CG PHE A 57 8.718 0.828 -3.427 1.00 0.00 C ATOM 837 CD1 PHE A 57 7.581 0.085 -3.804 1.00 0.00 C ATOM 838 CD2 PHE A 57 9.141 0.817 -2.083 1.00 0.00 C ATOM 839 CE1 PHE A 57 6.867 -0.653 -2.846 1.00 0.00 C ATOM 840 CE2 PHE A 57 8.433 0.065 -1.126 1.00 0.00 C ATOM 841 CZ PHE A 57 7.297 -0.669 -1.511 1.00 0.00 C ATOM 0 H PHE A 57 7.451 2.096 -6.013 1.00 0.00 H new ATOM 0 HA PHE A 57 8.971 3.647 -4.029 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.573 0.970 -5.372 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.526 1.723 -4.109 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.257 0.083 -4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.010 1.386 -1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.987 -1.208 -3.137 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.762 0.052 -0.097 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.754 -1.246 -0.777 1.00 0.00 H new ATOM 851 N SER A 58 10.997 4.128 -5.581 1.00 0.00 N ATOM 852 CA SER A 58 11.991 4.715 -6.499 1.00 0.00 C ATOM 853 C SER A 58 12.971 3.703 -7.111 1.00 0.00 C ATOM 854 O SER A 58 13.485 3.959 -8.198 1.00 0.00 O ATOM 855 CB SER A 58 12.801 5.800 -5.784 1.00 0.00 C ATOM 856 OG SER A 58 11.957 6.791 -5.224 1.00 0.00 O ATOM 0 H SER A 58 11.272 4.182 -4.600 1.00 0.00 H new ATOM 0 HA SER A 58 11.405 5.129 -7.320 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.404 5.347 -4.997 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.492 6.264 -6.488 1.00 0.00 H new ATOM 0 HG SER A 58 11.515 6.432 -4.427 1.00 0.00 H new ATOM 862 N ASN A 59 13.252 2.579 -6.437 1.00 0.00 N ATOM 863 CA ASN A 59 14.207 1.542 -6.863 1.00 0.00 C ATOM 864 C ASN A 59 13.701 0.131 -6.488 1.00 0.00 C ATOM 865 O ASN A 59 12.907 -0.027 -5.555 1.00 0.00 O ATOM 866 CB ASN A 59 15.599 1.811 -6.253 1.00 0.00 C ATOM 867 CG ASN A 59 16.256 3.086 -6.760 1.00 0.00 C ATOM 868 OD1 ASN A 59 16.911 3.120 -7.792 1.00 0.00 O ATOM 869 ND2 ASN A 59 16.141 4.183 -6.056 1.00 0.00 N ATOM 0 H ASN A 59 12.805 2.357 -5.547 1.00 0.00 H new ATOM 0 HA ASN A 59 14.294 1.583 -7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.505 1.868 -5.169 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.251 0.965 -6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 59 16.593 5.041 -6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.600 4.180 -5.191 1.00 0.00 H new ATOM 876 N GLU A 60 14.162 -0.898 -7.202 1.00 0.00 N ATOM 877 CA GLU A 60 13.568 -2.245 -7.169 1.00 0.00 C ATOM 878 C GLU A 60 13.834 -3.035 -5.876 1.00 0.00 C ATOM 879 O GLU A 60 12.917 -3.627 -5.308 1.00 0.00 O ATOM 880 CB GLU A 60 14.079 -3.035 -8.384 1.00 0.00 C ATOM 881 CG GLU A 60 13.310 -4.343 -8.587 1.00 0.00 C ATOM 882 CD GLU A 60 13.746 -5.022 -9.885 1.00 0.00 C ATOM 883 OE1 GLU A 60 14.864 -5.600 -9.932 1.00 0.00 O ATOM 884 OE2 GLU A 60 12.991 -4.952 -10.879 1.00 0.00 O ATOM 0 H GLU A 60 14.965 -0.824 -7.826 1.00 0.00 H new ATOM 0 HA GLU A 60 12.487 -2.111 -7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.989 -2.420 -9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.139 -3.255 -8.253 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.486 -5.010 -7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.239 -4.142 -8.616 1.00 0.00 H new ATOM 891 N GLN A 61 15.075 -3.052 -5.381 1.00 0.00 N ATOM 892 CA GLN A 61 15.476 -3.940 -4.282 1.00 0.00 C ATOM 893 C GLN A 61 14.784 -3.597 -2.948 1.00 0.00 C ATOM 894 O GLN A 61 14.541 -4.491 -2.131 1.00 0.00 O ATOM 895 CB GLN A 61 17.012 -3.943 -4.190 1.00 0.00 C ATOM 896 CG GLN A 61 17.544 -5.071 -3.298 1.00 0.00 C ATOM 897 CD GLN A 61 19.008 -5.382 -3.582 1.00 0.00 C ATOM 898 OE1 GLN A 61 19.922 -4.873 -2.941 1.00 0.00 O ATOM 899 NE2 GLN A 61 19.280 -6.206 -4.570 1.00 0.00 N ATOM 0 H GLN A 61 15.827 -2.456 -5.727 1.00 0.00 H new ATOM 0 HA GLN A 61 15.137 -4.953 -4.499 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.433 -4.046 -5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.351 -2.984 -3.799 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.430 -4.790 -2.251 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.946 -5.969 -3.454 1.00 0.00 H new ATOM 0 HE21 GLN A 61 18.521 -6.630 -5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.250 -6.421 -4.802 1.00 0.00 H new ATOM 908 N ALA A 62 14.379 -2.331 -2.775 1.00 0.00 N ATOM 909 CA ALA A 62 13.536 -1.866 -1.673 1.00 0.00 C ATOM 910 C ALA A 62 12.085 -2.375 -1.781 1.00 0.00 C ATOM 911 O ALA A 62 11.531 -2.840 -0.787 1.00 0.00 O ATOM 912 CB ALA A 62 13.590 -0.332 -1.646 1.00 0.00 C ATOM 0 H ALA A 62 14.638 -1.583 -3.419 1.00 0.00 H new ATOM 0 HA ALA A 62 13.919 -2.274 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.968 0.040 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.619 -0.007 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.221 0.062 -2.593 1.00 0.00 H new ATOM 918 N MET A 63 11.485 -2.360 -2.981 1.00 0.00 N ATOM 919 CA MET A 63 10.165 -2.967 -3.233 1.00 0.00 C ATOM 920 C MET A 63 10.186 -4.479 -2.949 1.00 0.00 C ATOM 921 O MET A 63 9.245 -5.020 -2.370 1.00 0.00 O ATOM 922 CB MET A 63 9.746 -2.696 -4.693 1.00 0.00 C ATOM 923 CG MET A 63 8.368 -3.279 -5.046 1.00 0.00 C ATOM 924 SD MET A 63 7.902 -3.194 -6.794 1.00 0.00 S ATOM 925 CE MET A 63 9.073 -4.372 -7.533 1.00 0.00 C ATOM 0 H MET A 63 11.900 -1.927 -3.806 1.00 0.00 H new ATOM 0 HA MET A 63 9.437 -2.516 -2.559 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.733 -1.620 -4.867 1.00 0.00 H new ATOM 0 HB3 MET A 63 10.495 -3.118 -5.363 1.00 0.00 H new ATOM 0 HG2 MET A 63 8.345 -4.323 -4.733 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.612 -2.755 -4.462 1.00 0.00 H new ATOM 0 HE1 MET A 63 8.784 -4.574 -8.564 1.00 0.00 H new ATOM 0 HE2 MET A 63 10.077 -3.948 -7.514 1.00 0.00 H new ATOM 0 HE3 MET A 63 9.061 -5.302 -6.964 1.00 0.00 H new ATOM 935 N GLN A 64 11.277 -5.156 -3.320 1.00 0.00 N ATOM 936 CA GLN A 64 11.435 -6.599 -3.127 1.00 0.00 C ATOM 937 C GLN A 64 11.597 -6.971 -1.651 1.00 0.00 C ATOM 938 O GLN A 64 10.926 -7.895 -1.197 1.00 0.00 O ATOM 939 CB GLN A 64 12.628 -7.120 -3.935 1.00 0.00 C ATOM 940 CG GLN A 64 12.331 -7.123 -5.442 1.00 0.00 C ATOM 941 CD GLN A 64 13.532 -7.491 -6.308 1.00 0.00 C ATOM 942 OE1 GLN A 64 14.694 -7.398 -5.922 1.00 0.00 O ATOM 943 NE2 GLN A 64 13.284 -7.886 -7.534 1.00 0.00 N ATOM 0 H GLN A 64 12.081 -4.714 -3.766 1.00 0.00 H new ATOM 0 HA GLN A 64 10.521 -7.072 -3.486 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.502 -6.499 -3.737 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.875 -8.131 -3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.522 -7.826 -5.642 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.974 -6.135 -5.734 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.320 -7.965 -7.859 1.00 0.00 H new ATOM 0 HE22 GLN A 64 14.055 -8.114 -8.162 1.00 0.00 H new ATOM 952 N ASP A 65 12.426 -6.238 -0.898 1.00 0.00 N ATOM 953 CA ASP A 65 12.590 -6.432 0.550 1.00 0.00 C ATOM 954 C ASP A 65 11.299 -6.098 1.312 1.00 0.00 C ATOM 955 O ASP A 65 10.981 -6.758 2.305 1.00 0.00 O ATOM 956 CB ASP A 65 13.766 -5.577 1.048 1.00 0.00 C ATOM 957 CG ASP A 65 14.139 -5.818 2.517 1.00 0.00 C ATOM 958 OD1 ASP A 65 14.108 -6.979 2.988 1.00 0.00 O ATOM 959 OD2 ASP A 65 14.580 -4.854 3.189 1.00 0.00 O ATOM 0 H ASP A 65 13.006 -5.489 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 65 12.807 -7.483 0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.637 -5.779 0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.517 -4.524 0.916 1.00 0.00 H new ATOM 964 N ALA A 66 10.514 -5.135 0.815 1.00 0.00 N ATOM 965 CA ALA A 66 9.190 -4.855 1.356 1.00 0.00 C ATOM 966 C ALA A 66 8.257 -6.061 1.158 1.00 0.00 C ATOM 967 O ALA A 66 7.817 -6.645 2.138 1.00 0.00 O ATOM 968 CB ALA A 66 8.646 -3.550 0.764 1.00 0.00 C ATOM 0 H ALA A 66 10.780 -4.536 0.034 1.00 0.00 H new ATOM 0 HA ALA A 66 9.255 -4.703 2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.656 -3.349 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.317 -2.729 1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.578 -3.643 -0.320 1.00 0.00 H new ATOM 974 N ILE A 67 7.998 -6.504 -0.076 1.00 0.00 N ATOM 975 CA ILE A 67 7.133 -7.668 -0.381 1.00 0.00 C ATOM 976 C ILE A 67 7.600 -8.963 0.325 1.00 0.00 C ATOM 977 O ILE A 67 6.765 -9.705 0.857 1.00 0.00 O ATOM 978 CB ILE A 67 7.002 -7.835 -1.918 1.00 0.00 C ATOM 979 CG1 ILE A 67 6.228 -6.629 -2.513 1.00 0.00 C ATOM 980 CG2 ILE A 67 6.288 -9.149 -2.296 1.00 0.00 C ATOM 981 CD1 ILE A 67 6.228 -6.562 -4.047 1.00 0.00 C ATOM 0 H ILE A 67 8.385 -6.063 -0.910 1.00 0.00 H new ATOM 0 HA ILE A 67 6.141 -7.471 0.026 1.00 0.00 H new ATOM 0 HB ILE A 67 8.009 -7.873 -2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.196 -6.669 -2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.661 -5.708 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.218 -9.226 -3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.855 -9.996 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.286 -9.156 -1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.664 -5.688 -4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.254 -6.487 -4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.766 -7.463 -4.451 1.00 0.00 H new ATOM 993 N GLU A 68 8.915 -9.213 0.403 1.00 0.00 N ATOM 994 CA GLU A 68 9.503 -10.344 1.147 1.00 0.00 C ATOM 995 C GLU A 68 9.213 -10.283 2.662 1.00 0.00 C ATOM 996 O GLU A 68 9.125 -11.323 3.322 1.00 0.00 O ATOM 997 CB GLU A 68 11.022 -10.365 0.879 1.00 0.00 C ATOM 998 CG GLU A 68 11.768 -11.632 1.329 1.00 0.00 C ATOM 999 CD GLU A 68 11.634 -12.780 0.324 1.00 0.00 C ATOM 1000 OE1 GLU A 68 10.591 -13.479 0.329 1.00 0.00 O ATOM 1001 OE2 GLU A 68 12.591 -13.001 -0.466 1.00 0.00 O ATOM 0 H GLU A 68 9.614 -8.628 -0.055 1.00 0.00 H new ATOM 0 HA GLU A 68 9.040 -11.265 0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.184 -10.232 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.471 -9.506 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.823 -11.398 1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.381 -11.953 2.296 1.00 0.00 H new ATOM 1008 N GLY A 69 9.032 -9.086 3.229 1.00 0.00 N ATOM 1009 CA GLY A 69 8.630 -8.889 4.625 1.00 0.00 C ATOM 1010 C GLY A 69 7.113 -8.842 4.844 1.00 0.00 C ATOM 1011 O GLY A 69 6.600 -9.453 5.776 1.00 0.00 O ATOM 0 H GLY A 69 9.163 -8.211 2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.048 -9.695 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.067 -7.959 4.989 1.00 0.00 H new ATOM 1015 N MET A 70 6.384 -8.138 3.980 1.00 0.00 N ATOM 1016 CA MET A 70 5.014 -7.647 4.200 1.00 0.00 C ATOM 1017 C MET A 70 3.926 -8.723 4.255 1.00 0.00 C ATOM 1018 O MET A 70 2.905 -8.500 4.898 1.00 0.00 O ATOM 1019 CB MET A 70 4.686 -6.663 3.066 1.00 0.00 C ATOM 1020 CG MET A 70 5.384 -5.315 3.271 1.00 0.00 C ATOM 1021 SD MET A 70 4.540 -4.223 4.438 1.00 0.00 S ATOM 1022 CE MET A 70 5.898 -3.085 4.818 1.00 0.00 C ATOM 0 H MET A 70 6.745 -7.879 3.062 1.00 0.00 H new ATOM 0 HA MET A 70 5.006 -7.187 5.188 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.993 -7.091 2.112 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.608 -6.511 3.015 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.400 -5.493 3.625 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.465 -4.809 2.309 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.494 -2.166 5.243 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.573 -3.551 5.536 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.444 -2.852 3.904 1.00 0.00 H new ATOM 1032 N ASN A 71 4.117 -9.861 3.579 1.00 0.00 N ATOM 1033 CA ASN A 71 3.099 -10.904 3.386 1.00 0.00 C ATOM 1034 C ASN A 71 2.491 -11.445 4.709 1.00 0.00 C ATOM 1035 O ASN A 71 3.015 -12.389 5.312 1.00 0.00 O ATOM 1036 CB ASN A 71 3.767 -11.980 2.507 1.00 0.00 C ATOM 1037 CG ASN A 71 2.853 -13.069 1.970 1.00 0.00 C ATOM 1038 OD1 ASN A 71 1.663 -13.148 2.255 1.00 0.00 O ATOM 1039 ND2 ASN A 71 3.399 -13.931 1.147 1.00 0.00 N ATOM 0 H ASN A 71 5.008 -10.090 3.138 1.00 0.00 H new ATOM 0 HA ASN A 71 2.217 -10.499 2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.243 -11.484 1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.560 -12.453 3.087 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.833 -14.675 0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.390 -13.858 0.915 1.00 0.00 H new ATOM 1046 N GLY A 72 1.376 -10.838 5.143 1.00 0.00 N ATOM 1047 CA GLY A 72 0.603 -11.187 6.345 1.00 0.00 C ATOM 1048 C GLY A 72 0.913 -10.380 7.621 1.00 0.00 C ATOM 1049 O GLY A 72 0.426 -10.754 8.695 1.00 0.00 O ATOM 0 H GLY A 72 0.968 -10.050 4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.456 -11.069 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.767 -12.243 6.561 1.00 0.00 H new ATOM 1053 N LYS A 73 1.724 -9.316 7.553 1.00 0.00 N ATOM 1054 CA LYS A 73 2.220 -8.571 8.732 1.00 0.00 C ATOM 1055 C LYS A 73 1.175 -7.688 9.426 1.00 0.00 C ATOM 1056 O LYS A 73 0.223 -7.206 8.820 1.00 0.00 O ATOM 1057 CB LYS A 73 3.450 -7.722 8.344 1.00 0.00 C ATOM 1058 CG LYS A 73 4.731 -8.546 8.138 1.00 0.00 C ATOM 1059 CD LYS A 73 5.190 -9.297 9.401 1.00 0.00 C ATOM 1060 CE LYS A 73 6.649 -9.767 9.324 1.00 0.00 C ATOM 1061 NZ LYS A 73 6.878 -10.712 8.208 1.00 0.00 N ATOM 0 H LYS A 73 2.062 -8.938 6.668 1.00 0.00 H new ATOM 0 HA LYS A 73 2.489 -9.334 9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.229 -7.176 7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.628 -6.979 9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.565 -9.267 7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.531 -7.883 7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.069 -8.647 10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.544 -10.161 9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.301 -8.902 9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.924 -10.245 10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.884 -10.975 8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.302 -11.566 8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.610 -10.261 7.310 1.00 0.00 H new ATOM 1075 N GLU A 74 1.426 -7.427 10.705 1.00 0.00 N ATOM 1076 CA GLU A 74 0.791 -6.373 11.502 1.00 0.00 C ATOM 1077 C GLU A 74 1.450 -5.005 11.231 1.00 0.00 C ATOM 1078 O GLU A 74 2.534 -4.692 11.743 1.00 0.00 O ATOM 1079 CB GLU A 74 0.814 -6.740 12.998 1.00 0.00 C ATOM 1080 CG GLU A 74 2.152 -7.303 13.519 1.00 0.00 C ATOM 1081 CD GLU A 74 2.119 -8.829 13.669 1.00 0.00 C ATOM 1082 OE1 GLU A 74 2.087 -9.540 12.633 1.00 0.00 O ATOM 1083 OE2 GLU A 74 2.167 -9.316 14.827 1.00 0.00 O ATOM 0 H GLU A 74 2.106 -7.965 11.241 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.253 -6.289 11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.563 -5.851 13.577 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.032 -7.475 13.187 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.953 -7.024 12.834 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.384 -6.850 14.483 1.00 0.00 H new ATOM 1090 N LEU A 75 0.794 -4.171 10.422 1.00 0.00 N ATOM 1091 CA LEU A 75 1.314 -2.895 9.920 1.00 0.00 C ATOM 1092 C LEU A 75 0.306 -1.764 10.152 1.00 0.00 C ATOM 1093 O LEU A 75 -0.867 -1.904 9.818 1.00 0.00 O ATOM 1094 CB LEU A 75 1.630 -3.054 8.424 1.00 0.00 C ATOM 1095 CG LEU A 75 2.788 -2.150 7.974 1.00 0.00 C ATOM 1096 CD1 LEU A 75 4.128 -2.857 8.203 1.00 0.00 C ATOM 1097 CD2 LEU A 75 2.656 -1.813 6.491 1.00 0.00 C ATOM 0 H LEU A 75 -0.148 -4.372 10.086 1.00 0.00 H new ATOM 0 HA LEU A 75 2.223 -2.630 10.460 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.882 -4.094 8.217 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.740 -2.819 7.840 1.00 0.00 H new ATOM 0 HG LEU A 75 2.750 -1.232 8.560 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.942 -2.207 7.881 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.243 -3.084 9.263 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.154 -3.783 7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.484 -1.172 6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.676 -2.732 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.713 -1.294 6.318 1.00 0.00 H new ATOM 1109 N ASP A 76 0.741 -0.647 10.741 1.00 0.00 N ATOM 1110 CA ASP A 76 -0.148 0.435 11.207 1.00 0.00 C ATOM 1111 C ASP A 76 -1.311 -0.055 12.110 1.00 0.00 C ATOM 1112 O ASP A 76 -2.401 0.526 12.139 1.00 0.00 O ATOM 1113 CB ASP A 76 -0.599 1.303 10.016 1.00 0.00 C ATOM 1114 CG ASP A 76 -0.965 2.714 10.486 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -0.050 3.448 10.941 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -2.146 3.116 10.390 1.00 0.00 O ATOM 0 H ASP A 76 1.729 -0.461 10.912 1.00 0.00 H new ATOM 0 HA ASP A 76 0.431 1.074 11.874 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.199 1.356 9.275 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.458 0.842 9.528 1.00 0.00 H new ATOM 1121 N GLY A 77 -1.089 -1.171 12.818 1.00 0.00 N ATOM 1122 CA GLY A 77 -2.084 -1.836 13.665 1.00 0.00 C ATOM 1123 C GLY A 77 -3.113 -2.688 12.905 1.00 0.00 C ATOM 1124 O GLY A 77 -4.122 -3.076 13.503 1.00 0.00 O ATOM 0 H GLY A 77 -0.187 -1.648 12.816 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.564 -2.473 14.380 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.615 -1.078 14.240 1.00 0.00 H new ATOM 1128 N ARG A 78 -2.883 -2.970 11.614 1.00 0.00 N ATOM 1129 CA ARG A 78 -3.775 -3.689 10.684 1.00 0.00 C ATOM 1130 C ARG A 78 -3.114 -4.949 10.111 1.00 0.00 C ATOM 1131 O ARG A 78 -1.896 -4.986 9.962 1.00 0.00 O ATOM 1132 CB ARG A 78 -4.129 -2.756 9.510 1.00 0.00 C ATOM 1133 CG ARG A 78 -4.717 -1.383 9.887 1.00 0.00 C ATOM 1134 CD ARG A 78 -5.997 -1.462 10.726 1.00 0.00 C ATOM 1135 NE ARG A 78 -6.989 -2.375 10.134 1.00 0.00 N ATOM 1136 CZ ARG A 78 -7.909 -3.055 10.794 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -8.128 -2.875 12.065 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -8.613 -3.962 10.195 1.00 0.00 N ATOM 0 H ARG A 78 -2.015 -2.685 11.160 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.663 -3.988 11.241 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.228 -2.592 8.919 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.843 -3.270 8.867 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.967 -0.817 10.440 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.927 -0.826 8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.750 -1.798 11.733 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.431 -0.467 10.820 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.963 -2.493 9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.580 -2.190 12.585 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.848 -3.419 12.541 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.459 -4.156 9.206 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.321 -4.482 10.713 1.00 0.00 H new ATOM 1152 N SER A 79 -3.910 -5.933 9.687 1.00 0.00 N ATOM 1153 CA SER A 79 -3.424 -7.086 8.914 1.00 0.00 C ATOM 1154 C SER A 79 -3.214 -6.709 7.438 1.00 0.00 C ATOM 1155 O SER A 79 -4.188 -6.445 6.726 1.00 0.00 O ATOM 1156 CB SER A 79 -4.382 -8.282 9.070 1.00 0.00 C ATOM 1157 OG SER A 79 -5.739 -7.954 8.799 1.00 0.00 O ATOM 0 H SER A 79 -4.913 -5.956 9.869 1.00 0.00 H new ATOM 0 HA SER A 79 -2.454 -7.386 9.310 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.067 -9.081 8.398 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.305 -8.670 10.086 1.00 0.00 H new ATOM 0 HG SER A 79 -5.780 -7.331 8.044 1.00 0.00 H new ATOM 1163 N ILE A 80 -1.957 -6.667 6.968 1.00 0.00 N ATOM 1164 CA ILE A 80 -1.622 -6.287 5.583 1.00 0.00 C ATOM 1165 C ILE A 80 -1.391 -7.488 4.654 1.00 0.00 C ATOM 1166 O ILE A 80 -0.750 -8.480 5.010 1.00 0.00 O ATOM 1167 CB ILE A 80 -0.499 -5.222 5.511 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -0.579 -4.446 4.173 1.00 0.00 C ATOM 1169 CG2 ILE A 80 0.907 -5.818 5.697 1.00 0.00 C ATOM 1170 CD1 ILE A 80 0.292 -3.187 4.129 1.00 0.00 C ATOM 0 H ILE A 80 -1.142 -6.896 7.537 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.514 -5.802 5.187 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.663 -4.537 6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.281 -5.110 3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.616 -4.164 3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.650 -5.023 5.636 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.971 -6.301 6.672 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.097 -6.553 4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.180 -2.701 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.020 -2.501 4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.336 -3.462 4.279 1.00 0.00 H new ATOM 1182 N VAL A 81 -1.891 -7.351 3.427 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.691 -8.262 2.288 1.00 0.00 C ATOM 1184 C VAL A 81 -1.010 -7.481 1.161 1.00 0.00 C ATOM 1185 O VAL A 81 -1.311 -6.301 0.970 1.00 0.00 O ATOM 1186 CB VAL A 81 -3.042 -8.871 1.856 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -2.955 -9.692 0.567 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.577 -9.799 2.957 1.00 0.00 C ATOM 0 H VAL A 81 -2.482 -6.557 3.181 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.047 -9.097 2.564 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.705 -8.024 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.940 -10.090 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.608 -9.056 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.255 -10.516 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.530 -10.224 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.862 -10.603 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.718 -9.230 3.876 1.00 0.00 H new ATOM 1198 N VAL A 82 -0.082 -8.119 0.437 1.00 0.00 N ATOM 1199 CA VAL A 82 0.727 -7.502 -0.634 1.00 0.00 C ATOM 1200 C VAL A 82 0.676 -8.280 -1.952 1.00 0.00 C ATOM 1201 O VAL A 82 0.761 -9.511 -1.963 1.00 0.00 O ATOM 1202 CB VAL A 82 2.204 -7.306 -0.238 1.00 0.00 C ATOM 1203 CG1 VAL A 82 2.345 -6.050 0.620 1.00 0.00 C ATOM 1204 CG2 VAL A 82 2.832 -8.506 0.483 1.00 0.00 C ATOM 0 H VAL A 82 0.137 -9.105 0.580 1.00 0.00 H new ATOM 0 HA VAL A 82 0.266 -6.526 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 82 2.755 -7.201 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.390 -5.915 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.005 -5.183 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.741 -6.155 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.871 -8.282 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.281 -8.708 1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.791 -9.382 -0.164 1.00 0.00 H new ATOM 1214 N ASN A 83 0.643 -7.565 -3.079 1.00 0.00 N ATOM 1215 CA ASN A 83 1.093 -8.073 -4.381 1.00 0.00 C ATOM 1216 C ASN A 83 1.578 -6.934 -5.290 1.00 0.00 C ATOM 1217 O ASN A 83 1.153 -5.794 -5.140 1.00 0.00 O ATOM 1218 CB ASN A 83 -0.004 -8.897 -5.083 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.293 -8.143 -5.350 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -2.268 -8.267 -4.617 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -1.361 -7.357 -6.397 1.00 0.00 N ATOM 0 H ASN A 83 0.299 -6.605 -3.116 1.00 0.00 H new ATOM 0 HA ASN A 83 1.936 -8.737 -4.188 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.388 -9.265 -6.031 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.230 -9.770 -4.471 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.223 -6.851 -6.600 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.552 -7.251 -7.009 1.00 0.00 H new ATOM 1228 N GLU A 84 2.418 -7.242 -6.270 1.00 0.00 N ATOM 1229 CA GLU A 84 2.851 -6.306 -7.316 1.00 0.00 C ATOM 1230 C GLU A 84 1.677 -5.744 -8.142 1.00 0.00 C ATOM 1231 O GLU A 84 0.623 -6.379 -8.268 1.00 0.00 O ATOM 1232 CB GLU A 84 3.909 -6.973 -8.216 1.00 0.00 C ATOM 1233 CG GLU A 84 3.421 -8.193 -9.023 1.00 0.00 C ATOM 1234 CD GLU A 84 2.518 -7.864 -10.218 1.00 0.00 C ATOM 1235 OE1 GLU A 84 2.614 -6.759 -10.796 1.00 0.00 O ATOM 1236 OE2 GLU A 84 1.691 -8.729 -10.597 1.00 0.00 O ATOM 0 H GLU A 84 2.830 -8.170 -6.368 1.00 0.00 H new ATOM 0 HA GLU A 84 3.301 -5.447 -6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.290 -6.227 -8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.747 -7.284 -7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.291 -8.741 -9.385 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.880 -8.860 -8.352 1.00 0.00 H new ATOM 1243 N ALA A 85 1.866 -4.544 -8.694 1.00 0.00 N ATOM 1244 CA ALA A 85 0.889 -3.825 -9.514 1.00 0.00 C ATOM 1245 C ALA A 85 1.449 -3.387 -10.890 1.00 0.00 C ATOM 1246 O ALA A 85 0.907 -2.475 -11.513 1.00 0.00 O ATOM 1247 CB ALA A 85 0.303 -2.683 -8.668 1.00 0.00 C ATOM 0 H ALA A 85 2.737 -4.026 -8.578 1.00 0.00 H new ATOM 0 HA ALA A 85 0.076 -4.496 -9.792 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.429 -2.132 -9.258 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.182 -3.097 -7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.103 -2.010 -8.361 1.00 0.00 H new