USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=13 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 -67:sc= 0.638 USER MOD Set 1.2: A 20 THR OG1 : rot -55:sc= 1.61 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.0452 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0557 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.195 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 77:sc= 0.915 USER MOD Single : A 59 ASN : amide:sc= -0.0293 X(o=-0.029,f=-0.029) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 63 MET CE :methyl 170:sc= 0 (180deg=-0.11) USER MOD Single : A 64 GLN : amide:sc= -0.0468 K(o=-0.047,f=-1.4) USER MOD Single : A 70 MET CE :methyl 140:sc= 0 (180deg=-0.291) USER MOD Single : A 71 ASN : amide:sc=-0.00653 K(o=-0.0065,f=-0.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc=-0.00187 K(o=-0.0019,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 100 N TYR A 9 7.693 0.190 -10.348 1.00 0.00 N ATOM 101 CA TYR A 9 7.705 -0.508 -9.059 1.00 0.00 C ATOM 102 C TYR A 9 6.489 -0.069 -8.228 1.00 0.00 C ATOM 103 O TYR A 9 6.587 0.759 -7.319 1.00 0.00 O ATOM 104 CB TYR A 9 9.073 -0.272 -8.384 1.00 0.00 C ATOM 105 CG TYR A 9 10.260 -0.357 -9.335 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.405 -1.454 -10.211 1.00 0.00 C ATOM 107 CD2 TYR A 9 11.161 0.722 -9.415 1.00 0.00 C ATOM 108 CE1 TYR A 9 11.418 -1.451 -11.189 1.00 0.00 C ATOM 109 CE2 TYR A 9 12.188 0.718 -10.376 1.00 0.00 C ATOM 110 CZ TYR A 9 12.309 -0.360 -11.278 1.00 0.00 C ATOM 111 OH TYR A 9 13.265 -0.347 -12.246 1.00 0.00 O ATOM 0 HA TYR A 9 7.603 -1.587 -9.175 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.069 0.711 -7.913 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.205 -1.006 -7.589 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.737 -2.299 -10.131 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.063 1.556 -8.736 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.513 -2.283 -11.871 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.885 1.542 -10.423 1.00 0.00 H new ATOM 0 HH TYR A 9 13.795 0.474 -12.171 1.00 0.00 H new ATOM 121 N ARG A 10 5.323 -0.641 -8.569 1.00 0.00 N ATOM 122 CA ARG A 10 3.989 -0.310 -8.033 1.00 0.00 C ATOM 123 C ARG A 10 3.305 -1.580 -7.511 1.00 0.00 C ATOM 124 O ARG A 10 3.169 -2.559 -8.247 1.00 0.00 O ATOM 125 CB ARG A 10 3.170 0.381 -9.148 1.00 0.00 C ATOM 126 CG ARG A 10 1.824 0.969 -8.678 1.00 0.00 C ATOM 127 CD ARG A 10 0.949 1.471 -9.843 1.00 0.00 C ATOM 128 NE ARG A 10 1.602 2.532 -10.639 1.00 0.00 N ATOM 129 CZ ARG A 10 1.553 3.840 -10.464 1.00 0.00 C ATOM 130 NH1 ARG A 10 0.791 4.397 -9.568 1.00 0.00 N ATOM 131 NH2 ARG A 10 2.291 4.617 -11.200 1.00 0.00 N ATOM 0 H ARG A 10 5.281 -1.387 -9.263 1.00 0.00 H new ATOM 0 HA ARG A 10 4.070 0.376 -7.190 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.771 1.181 -9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.980 -0.340 -9.943 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.276 0.209 -8.120 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.014 1.794 -7.991 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.706 0.632 -10.495 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.007 1.850 -9.446 1.00 0.00 H new ATOM 0 HE ARG A 10 2.164 2.211 -11.427 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.202 3.819 -8.969 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.783 5.412 -9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.905 4.216 -11.909 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.256 5.628 -11.068 1.00 0.00 H new ATOM 145 N CYS A 11 2.862 -1.571 -6.255 1.00 0.00 N ATOM 146 CA CYS A 11 2.247 -2.733 -5.601 1.00 0.00 C ATOM 147 C CYS A 11 1.060 -2.347 -4.699 1.00 0.00 C ATOM 148 O CYS A 11 0.932 -1.199 -4.276 1.00 0.00 O ATOM 149 CB CYS A 11 3.344 -3.560 -4.902 1.00 0.00 C ATOM 150 SG CYS A 11 4.104 -2.660 -3.523 1.00 0.00 S ATOM 0 H CYS A 11 2.919 -0.749 -5.653 1.00 0.00 H new ATOM 0 HA CYS A 11 1.790 -3.375 -6.355 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.915 -4.492 -4.533 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.113 -3.828 -5.627 1.00 0.00 H new ATOM 0 HG CYS A 11 5.017 -3.403 -2.971 1.00 0.00 H new ATOM 156 N PHE A 12 0.156 -3.297 -4.475 1.00 0.00 N ATOM 157 CA PHE A 12 -1.080 -3.162 -3.704 1.00 0.00 C ATOM 158 C PHE A 12 -0.841 -3.368 -2.202 1.00 0.00 C ATOM 159 O PHE A 12 -0.025 -4.201 -1.802 1.00 0.00 O ATOM 160 CB PHE A 12 -2.090 -4.173 -4.264 1.00 0.00 C ATOM 161 CG PHE A 12 -3.341 -4.424 -3.440 1.00 0.00 C ATOM 162 CD1 PHE A 12 -3.326 -5.393 -2.417 1.00 0.00 C ATOM 163 CD2 PHE A 12 -4.531 -3.727 -3.723 1.00 0.00 C ATOM 164 CE1 PHE A 12 -4.494 -5.666 -1.683 1.00 0.00 C ATOM 165 CE2 PHE A 12 -5.701 -4.007 -2.994 1.00 0.00 C ATOM 166 CZ PHE A 12 -5.684 -4.977 -1.976 1.00 0.00 C ATOM 0 H PHE A 12 0.272 -4.239 -4.849 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.472 -2.150 -3.803 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.398 -3.833 -5.253 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.577 -5.125 -4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.414 -5.928 -2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.546 -2.977 -4.500 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.477 -6.404 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.615 -3.476 -3.217 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.584 -5.193 -1.420 1.00 0.00 H new ATOM 176 N VAL A 13 -1.601 -2.636 -1.384 1.00 0.00 N ATOM 177 CA VAL A 13 -1.553 -2.677 0.083 1.00 0.00 C ATOM 178 C VAL A 13 -2.986 -2.671 0.621 1.00 0.00 C ATOM 179 O VAL A 13 -3.681 -1.658 0.526 1.00 0.00 O ATOM 180 CB VAL A 13 -0.751 -1.473 0.629 1.00 0.00 C ATOM 181 CG1 VAL A 13 -0.641 -1.493 2.157 1.00 0.00 C ATOM 182 CG2 VAL A 13 0.686 -1.438 0.095 1.00 0.00 C ATOM 0 H VAL A 13 -2.292 -1.974 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.049 -3.585 0.413 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.308 -0.599 0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.069 -0.628 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.639 -1.460 2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.136 -2.406 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.207 -0.574 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.206 -2.350 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.668 -1.365 -0.992 1.00 0.00 H new ATOM 192 N GLY A 14 -3.428 -3.797 1.186 1.00 0.00 N ATOM 193 CA GLY A 14 -4.720 -3.927 1.876 1.00 0.00 C ATOM 194 C GLY A 14 -4.567 -3.903 3.399 1.00 0.00 C ATOM 195 O GLY A 14 -3.632 -4.511 3.920 1.00 0.00 O ATOM 0 H GLY A 14 -2.889 -4.663 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.379 -3.116 1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.198 -4.859 1.575 1.00 0.00 H new ATOM 199 N SER A 15 -5.415 -3.144 4.106 1.00 0.00 N ATOM 200 CA SER A 15 -5.546 -3.091 5.588 1.00 0.00 C ATOM 201 C SER A 15 -6.446 -1.951 6.066 1.00 0.00 C ATOM 202 O SER A 15 -7.068 -2.063 7.121 1.00 0.00 O ATOM 203 CB SER A 15 -4.214 -2.846 6.325 1.00 0.00 C ATOM 204 OG SER A 15 -3.222 -2.246 5.513 1.00 0.00 O ATOM 0 H SER A 15 -6.069 -2.512 3.644 1.00 0.00 H new ATOM 0 HA SER A 15 -5.957 -4.074 5.820 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.398 -2.209 7.190 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.837 -3.796 6.703 1.00 0.00 H new ATOM 0 HG SER A 15 -2.404 -2.116 6.038 1.00 0.00 H new ATOM 210 N LEU A 16 -6.457 -0.846 5.318 1.00 0.00 N ATOM 211 CA LEU A 16 -6.917 0.477 5.737 1.00 0.00 C ATOM 212 C LEU A 16 -8.393 0.515 6.159 1.00 0.00 C ATOM 213 O LEU A 16 -9.203 -0.359 5.835 1.00 0.00 O ATOM 214 CB LEU A 16 -6.659 1.514 4.623 1.00 0.00 C ATOM 215 CG LEU A 16 -5.311 1.442 3.891 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.267 2.637 2.951 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.083 1.484 4.794 1.00 0.00 C ATOM 0 H LEU A 16 -6.128 -0.852 4.353 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.337 0.729 6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.451 1.416 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.753 2.508 5.060 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.262 0.478 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.325 2.634 2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.097 2.577 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.348 3.558 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.181 1.428 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.080 2.415 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.109 0.640 5.483 1.00 0.00 H new ATOM 229 N SER A 17 -8.726 1.596 6.852 1.00 0.00 N ATOM 230 CA SER A 17 -9.990 1.811 7.563 1.00 0.00 C ATOM 231 C SER A 17 -10.416 3.280 7.502 1.00 0.00 C ATOM 232 O SER A 17 -9.656 4.136 7.049 1.00 0.00 O ATOM 233 CB SER A 17 -9.806 1.400 9.030 1.00 0.00 C ATOM 234 OG SER A 17 -8.976 2.336 9.698 1.00 0.00 O ATOM 0 H SER A 17 -8.092 2.390 6.941 1.00 0.00 H new ATOM 0 HA SER A 17 -10.766 1.210 7.088 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.776 1.344 9.525 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.363 0.406 9.084 1.00 0.00 H new ATOM 0 HG SER A 17 -8.066 2.280 9.340 1.00 0.00 H new ATOM 240 N TRP A 18 -11.595 3.602 8.032 1.00 0.00 N ATOM 241 CA TRP A 18 -12.022 4.973 8.350 1.00 0.00 C ATOM 242 C TRP A 18 -11.034 5.799 9.211 1.00 0.00 C ATOM 243 O TRP A 18 -11.175 7.023 9.267 1.00 0.00 O ATOM 244 CB TRP A 18 -13.380 4.879 9.055 1.00 0.00 C ATOM 245 CG TRP A 18 -13.444 3.959 10.241 1.00 0.00 C ATOM 246 CD1 TRP A 18 -13.182 4.300 11.524 1.00 0.00 C ATOM 247 CD2 TRP A 18 -13.821 2.544 10.275 1.00 0.00 C ATOM 248 NE1 TRP A 18 -13.401 3.211 12.347 1.00 0.00 N ATOM 249 CE2 TRP A 18 -13.788 2.101 11.631 1.00 0.00 C ATOM 250 CE3 TRP A 18 -14.204 1.597 9.300 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -14.128 0.794 12.006 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -14.542 0.279 9.665 1.00 0.00 C ATOM 253 CH2 TRP A 18 -14.512 -0.123 11.012 1.00 0.00 C ATOM 0 H TRP A 18 -12.301 2.902 8.260 1.00 0.00 H new ATOM 0 HA TRP A 18 -12.072 5.516 7.406 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.668 5.879 9.380 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -14.123 4.553 8.327 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.852 5.274 11.854 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.289 3.228 13.361 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -14.238 1.887 8.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.095 0.496 13.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -14.827 -0.430 8.902 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -14.783 -1.133 11.282 1.00 0.00 H new ATOM 264 N ASN A 19 -10.040 5.161 9.852 1.00 0.00 N ATOM 265 CA ASN A 19 -8.940 5.817 10.571 1.00 0.00 C ATOM 266 C ASN A 19 -7.620 5.873 9.761 1.00 0.00 C ATOM 267 O ASN A 19 -6.823 6.788 9.976 1.00 0.00 O ATOM 268 CB ASN A 19 -8.705 5.098 11.920 1.00 0.00 C ATOM 269 CG ASN A 19 -9.796 5.286 12.967 1.00 0.00 C ATOM 270 OD1 ASN A 19 -10.697 6.106 12.854 1.00 0.00 O ATOM 271 ND2 ASN A 19 -9.718 4.551 14.051 1.00 0.00 N ATOM 0 H ASN A 19 -9.980 4.143 9.884 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.241 6.851 10.736 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.592 4.031 11.727 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.761 5.448 12.338 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.407 4.665 14.795 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.969 3.866 14.150 1.00 0.00 H new ATOM 278 N THR A 20 -7.326 4.910 8.877 1.00 0.00 N ATOM 279 CA THR A 20 -6.057 4.850 8.108 1.00 0.00 C ATOM 280 C THR A 20 -6.121 5.549 6.752 1.00 0.00 C ATOM 281 O THR A 20 -7.137 5.489 6.057 1.00 0.00 O ATOM 282 CB THR A 20 -5.528 3.421 7.882 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.034 2.512 8.824 1.00 0.00 O ATOM 284 CG2 THR A 20 -4.003 3.354 7.972 1.00 0.00 C ATOM 0 H THR A 20 -7.962 4.140 8.667 1.00 0.00 H new ATOM 0 HA THR A 20 -5.364 5.388 8.755 1.00 0.00 H new ATOM 0 HB THR A 20 -5.863 3.151 6.880 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.841 2.836 9.728 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.673 2.328 7.806 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.565 4.003 7.214 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.682 3.683 8.960 1.00 0.00 H new ATOM 292 N ASP A 21 -5.001 6.140 6.324 1.00 0.00 N ATOM 293 CA ASP A 21 -4.844 6.749 4.998 1.00 0.00 C ATOM 294 C ASP A 21 -3.486 6.417 4.346 1.00 0.00 C ATOM 295 O ASP A 21 -2.661 5.708 4.927 1.00 0.00 O ATOM 296 CB ASP A 21 -5.014 8.274 5.127 1.00 0.00 C ATOM 297 CG ASP A 21 -6.418 8.665 5.571 1.00 0.00 C ATOM 298 OD1 ASP A 21 -7.360 8.541 4.760 1.00 0.00 O ATOM 299 OD2 ASP A 21 -6.586 9.149 6.715 1.00 0.00 O ATOM 0 H ASP A 21 -4.162 6.210 6.900 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.611 6.332 4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.289 8.659 5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.795 8.744 4.168 1.00 0.00 H new ATOM 304 N ASP A 22 -3.225 6.954 3.144 1.00 0.00 N ATOM 305 CA ASP A 22 -1.977 6.730 2.400 1.00 0.00 C ATOM 306 C ASP A 22 -0.721 7.115 3.209 1.00 0.00 C ATOM 307 O ASP A 22 0.317 6.465 3.090 1.00 0.00 O ATOM 308 CB ASP A 22 -1.948 7.515 1.070 1.00 0.00 C ATOM 309 CG ASP A 22 -2.014 9.032 1.259 1.00 0.00 C ATOM 310 OD1 ASP A 22 -3.036 9.515 1.796 1.00 0.00 O ATOM 311 OD2 ASP A 22 -1.056 9.754 0.885 1.00 0.00 O ATOM 0 H ASP A 22 -3.882 7.563 2.656 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.958 5.659 2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.037 7.263 0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.786 7.197 0.450 1.00 0.00 H new ATOM 316 N ARG A 23 -0.815 8.141 4.067 1.00 0.00 N ATOM 317 CA ARG A 23 0.276 8.576 4.955 1.00 0.00 C ATOM 318 C ARG A 23 0.723 7.455 5.902 1.00 0.00 C ATOM 319 O ARG A 23 1.925 7.290 6.110 1.00 0.00 O ATOM 320 CB ARG A 23 -0.185 9.832 5.718 1.00 0.00 C ATOM 321 CG ARG A 23 0.911 10.440 6.604 1.00 0.00 C ATOM 322 CD ARG A 23 0.435 11.724 7.295 1.00 0.00 C ATOM 323 NE ARG A 23 1.458 12.229 8.227 1.00 0.00 N ATOM 324 CZ ARG A 23 1.303 13.193 9.116 1.00 0.00 C ATOM 325 NH1 ARG A 23 0.228 13.923 9.172 1.00 0.00 N ATOM 326 NH2 ARG A 23 2.239 13.442 9.980 1.00 0.00 N ATOM 0 H ARG A 23 -1.662 8.701 4.166 1.00 0.00 H new ATOM 0 HA ARG A 23 1.154 8.823 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.521 10.581 5.001 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.044 9.577 6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.215 9.713 7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.790 10.658 5.997 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.213 12.484 6.546 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.491 11.529 7.836 1.00 0.00 H new ATOM 0 HE ARG A 23 2.378 11.790 8.181 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.534 13.760 8.514 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.147 14.658 9.874 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.098 12.892 9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.115 14.188 10.665 1.00 0.00 H new ATOM 340 N GLY A 24 -0.221 6.663 6.417 1.00 0.00 N ATOM 341 CA GLY A 24 0.032 5.569 7.359 1.00 0.00 C ATOM 342 C GLY A 24 0.722 4.355 6.729 1.00 0.00 C ATOM 343 O GLY A 24 1.589 3.755 7.369 1.00 0.00 O ATOM 0 H GLY A 24 -1.209 6.768 6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.649 5.942 8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.915 5.251 7.794 1.00 0.00 H new ATOM 347 N LEU A 25 0.406 4.016 5.471 1.00 0.00 N ATOM 348 CA LEU A 25 1.144 2.968 4.749 1.00 0.00 C ATOM 349 C LEU A 25 2.478 3.486 4.188 1.00 0.00 C ATOM 350 O LEU A 25 3.476 2.774 4.257 1.00 0.00 O ATOM 351 CB LEU A 25 0.247 2.240 3.728 1.00 0.00 C ATOM 352 CG LEU A 25 -0.086 3.001 2.430 1.00 0.00 C ATOM 353 CD1 LEU A 25 0.911 2.662 1.324 1.00 0.00 C ATOM 354 CD2 LEU A 25 -1.482 2.636 1.927 1.00 0.00 C ATOM 0 H LEU A 25 -0.348 4.447 4.936 1.00 0.00 H new ATOM 0 HA LEU A 25 1.432 2.198 5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.732 1.302 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.690 1.983 4.221 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.036 4.064 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.652 3.213 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.916 2.939 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.877 1.592 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.694 3.186 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.528 1.566 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.221 2.896 2.685 1.00 0.00 H new ATOM 366 N GLU A 26 2.553 4.746 3.743 1.00 0.00 N ATOM 367 CA GLU A 26 3.824 5.390 3.382 1.00 0.00 C ATOM 368 C GLU A 26 4.818 5.326 4.555 1.00 0.00 C ATOM 369 O GLU A 26 5.954 4.901 4.368 1.00 0.00 O ATOM 370 CB GLU A 26 3.565 6.838 2.927 1.00 0.00 C ATOM 371 CG GLU A 26 4.840 7.593 2.519 1.00 0.00 C ATOM 372 CD GLU A 26 4.542 9.062 2.196 1.00 0.00 C ATOM 373 OE1 GLU A 26 4.190 9.819 3.132 1.00 0.00 O ATOM 374 OE2 GLU A 26 4.665 9.480 1.021 1.00 0.00 O ATOM 0 H GLU A 26 1.738 5.347 3.623 1.00 0.00 H new ATOM 0 HA GLU A 26 4.276 4.851 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.874 6.827 2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.074 7.381 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.571 7.537 3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.287 7.111 1.649 1.00 0.00 H new ATOM 381 N ALA A 27 4.386 5.632 5.781 1.00 0.00 N ATOM 382 CA ALA A 27 5.233 5.576 6.976 1.00 0.00 C ATOM 383 C ALA A 27 5.675 4.160 7.396 1.00 0.00 C ATOM 384 O ALA A 27 6.635 4.019 8.154 1.00 0.00 O ATOM 385 CB ALA A 27 4.486 6.278 8.114 1.00 0.00 C ATOM 0 H ALA A 27 3.429 5.928 5.974 1.00 0.00 H new ATOM 0 HA ALA A 27 6.168 6.082 6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.094 6.252 9.019 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.292 7.314 7.837 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.540 5.768 8.297 1.00 0.00 H new ATOM 391 N ALA A 28 4.993 3.112 6.929 1.00 0.00 N ATOM 392 CA ALA A 28 5.398 1.717 7.110 1.00 0.00 C ATOM 393 C ALA A 28 6.358 1.201 6.012 1.00 0.00 C ATOM 394 O ALA A 28 7.109 0.255 6.259 1.00 0.00 O ATOM 395 CB ALA A 28 4.128 0.863 7.205 1.00 0.00 C ATOM 0 H ALA A 28 4.125 3.212 6.403 1.00 0.00 H new ATOM 0 HA ALA A 28 5.976 1.642 8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.402 -0.183 7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.530 1.194 8.054 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.548 0.970 6.288 1.00 0.00 H new ATOM 401 N PHE A 29 6.340 1.806 4.816 1.00 0.00 N ATOM 402 CA PHE A 29 7.165 1.433 3.650 1.00 0.00 C ATOM 403 C PHE A 29 8.379 2.362 3.408 1.00 0.00 C ATOM 404 O PHE A 29 9.359 1.953 2.780 1.00 0.00 O ATOM 405 CB PHE A 29 6.255 1.355 2.407 1.00 0.00 C ATOM 406 CG PHE A 29 5.438 0.073 2.263 1.00 0.00 C ATOM 407 CD1 PHE A 29 4.368 -0.213 3.133 1.00 0.00 C ATOM 408 CD2 PHE A 29 5.728 -0.832 1.222 1.00 0.00 C ATOM 409 CE1 PHE A 29 3.598 -1.379 2.965 1.00 0.00 C ATOM 410 CE2 PHE A 29 4.962 -2.000 1.051 1.00 0.00 C ATOM 411 CZ PHE A 29 3.893 -2.273 1.922 1.00 0.00 C ATOM 0 H PHE A 29 5.728 2.599 4.623 1.00 0.00 H new ATOM 0 HA PHE A 29 7.607 0.459 3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.568 2.201 2.429 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.875 1.471 1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.136 0.469 3.937 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.547 -0.627 0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.780 -1.587 3.638 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.195 -2.687 0.251 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.301 -3.166 1.790 1.00 0.00 H new ATOM 421 N SER A 30 8.363 3.597 3.929 1.00 0.00 N ATOM 422 CA SER A 30 9.425 4.608 3.744 1.00 0.00 C ATOM 423 C SER A 30 10.800 4.153 4.271 1.00 0.00 C ATOM 424 O SER A 30 11.844 4.586 3.779 1.00 0.00 O ATOM 425 CB SER A 30 8.957 5.895 4.441 1.00 0.00 C ATOM 426 OG SER A 30 9.848 6.980 4.279 1.00 0.00 O ATOM 0 H SER A 30 7.593 3.934 4.507 1.00 0.00 H new ATOM 0 HA SER A 30 9.577 4.772 2.677 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.980 6.176 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.829 5.696 5.505 1.00 0.00 H new ATOM 0 HG SER A 30 9.493 7.767 4.743 1.00 0.00 H new ATOM 432 N SER A 31 10.803 3.210 5.213 1.00 0.00 N ATOM 433 CA SER A 31 11.980 2.543 5.781 1.00 0.00 C ATOM 434 C SER A 31 12.710 1.587 4.825 1.00 0.00 C ATOM 435 O SER A 31 13.846 1.204 5.117 1.00 0.00 O ATOM 436 CB SER A 31 11.534 1.780 7.031 1.00 0.00 C ATOM 437 OG SER A 31 10.404 0.982 6.723 1.00 0.00 O ATOM 0 H SER A 31 9.935 2.870 5.626 1.00 0.00 H new ATOM 0 HA SER A 31 12.706 3.324 6.007 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.347 1.152 7.395 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.290 2.481 7.829 1.00 0.00 H new ATOM 0 HG SER A 31 10.121 0.493 7.524 1.00 0.00 H new ATOM 443 N PHE A 32 12.112 1.232 3.680 1.00 0.00 N ATOM 444 CA PHE A 32 12.754 0.430 2.627 1.00 0.00 C ATOM 445 C PHE A 32 13.366 1.295 1.514 1.00 0.00 C ATOM 446 O PHE A 32 14.458 0.976 1.031 1.00 0.00 O ATOM 447 CB PHE A 32 11.747 -0.577 2.050 1.00 0.00 C ATOM 448 CG PHE A 32 11.360 -1.684 3.013 1.00 0.00 C ATOM 449 CD1 PHE A 32 10.376 -1.461 3.995 1.00 0.00 C ATOM 450 CD2 PHE A 32 12.003 -2.935 2.945 1.00 0.00 C ATOM 451 CE1 PHE A 32 10.045 -2.478 4.906 1.00 0.00 C ATOM 452 CE2 PHE A 32 11.666 -3.954 3.854 1.00 0.00 C ATOM 453 CZ PHE A 32 10.684 -3.728 4.833 1.00 0.00 C ATOM 0 H PHE A 32 11.153 1.498 3.455 1.00 0.00 H new ATOM 0 HA PHE A 32 13.582 -0.111 3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.847 -0.042 1.747 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.170 -1.024 1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.875 -0.506 4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.757 -3.113 2.193 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.297 -2.299 5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.163 -4.911 3.799 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.421 -4.512 5.527 1.00 0.00 H new ATOM 463 N GLY A 33 12.705 2.387 1.112 1.00 0.00 N ATOM 464 CA GLY A 33 13.199 3.282 0.054 1.00 0.00 C ATOM 465 C GLY A 33 12.354 4.537 -0.189 1.00 0.00 C ATOM 466 O GLY A 33 11.331 4.757 0.461 1.00 0.00 O ATOM 0 H GLY A 33 11.812 2.677 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.214 3.590 0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.259 2.719 -0.877 1.00 0.00 H new ATOM 470 N GLU A 34 12.794 5.373 -1.135 1.00 0.00 N ATOM 471 CA GLU A 34 12.167 6.647 -1.512 1.00 0.00 C ATOM 472 C GLU A 34 10.853 6.427 -2.284 1.00 0.00 C ATOM 473 O GLU A 34 10.844 5.904 -3.406 1.00 0.00 O ATOM 474 CB GLU A 34 13.172 7.481 -2.332 1.00 0.00 C ATOM 475 CG GLU A 34 12.694 8.905 -2.666 1.00 0.00 C ATOM 476 CD GLU A 34 12.884 9.879 -1.497 1.00 0.00 C ATOM 477 OE1 GLU A 34 12.085 9.849 -0.529 1.00 0.00 O ATOM 478 OE2 GLU A 34 13.832 10.696 -1.535 1.00 0.00 O ATOM 0 H GLU A 34 13.631 5.174 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 34 11.904 7.194 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.109 7.546 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.387 6.956 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.241 9.274 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.640 8.875 -2.942 1.00 0.00 H new ATOM 485 N ILE A 35 9.739 6.862 -1.690 1.00 0.00 N ATOM 486 CA ILE A 35 8.384 6.708 -2.235 1.00 0.00 C ATOM 487 C ILE A 35 8.091 7.731 -3.341 1.00 0.00 C ATOM 488 O ILE A 35 8.430 8.914 -3.215 1.00 0.00 O ATOM 489 CB ILE A 35 7.356 6.757 -1.075 1.00 0.00 C ATOM 490 CG1 ILE A 35 7.410 5.474 -0.214 1.00 0.00 C ATOM 491 CG2 ILE A 35 5.913 7.036 -1.537 1.00 0.00 C ATOM 492 CD1 ILE A 35 6.977 4.191 -0.939 1.00 0.00 C ATOM 0 H ILE A 35 9.753 7.345 -0.792 1.00 0.00 H new ATOM 0 HA ILE A 35 8.301 5.734 -2.718 1.00 0.00 H new ATOM 0 HB ILE A 35 7.654 7.607 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.428 5.342 0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.773 5.613 0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.251 7.056 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.874 7.999 -2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.592 6.251 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.048 3.345 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.947 4.296 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.628 4.020 -1.796 1.00 0.00 H new ATOM 504 N LEU A 36 7.407 7.279 -4.395 1.00 0.00 N ATOM 505 CA LEU A 36 6.814 8.114 -5.446 1.00 0.00 C ATOM 506 C LEU A 36 5.355 8.471 -5.131 1.00 0.00 C ATOM 507 O LEU A 36 4.975 9.636 -5.248 1.00 0.00 O ATOM 508 CB LEU A 36 6.915 7.372 -6.792 1.00 0.00 C ATOM 509 CG LEU A 36 8.292 7.501 -7.462 1.00 0.00 C ATOM 510 CD1 LEU A 36 8.409 6.477 -8.586 1.00 0.00 C ATOM 511 CD2 LEU A 36 8.492 8.892 -8.070 1.00 0.00 C ATOM 0 H LEU A 36 7.244 6.284 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 36 7.366 9.052 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.695 6.316 -6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.153 7.758 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 36 9.048 7.333 -6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.386 6.568 -9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.297 5.473 -8.177 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.628 6.657 -9.325 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.476 8.948 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.724 9.074 -8.822 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.418 9.646 -7.286 1.00 0.00 H new ATOM 523 N ASP A 37 4.545 7.505 -4.700 1.00 0.00 N ATOM 524 CA ASP A 37 3.137 7.716 -4.358 1.00 0.00 C ATOM 525 C ASP A 37 2.660 6.725 -3.296 1.00 0.00 C ATOM 526 O ASP A 37 3.189 5.620 -3.151 1.00 0.00 O ATOM 527 CB ASP A 37 2.237 7.555 -5.603 1.00 0.00 C ATOM 528 CG ASP A 37 1.543 8.849 -6.023 1.00 0.00 C ATOM 529 OD1 ASP A 37 0.900 9.496 -5.157 1.00 0.00 O ATOM 530 OD2 ASP A 37 1.573 9.192 -7.230 1.00 0.00 O ATOM 0 H ASP A 37 4.852 6.540 -4.576 1.00 0.00 H new ATOM 0 HA ASP A 37 3.061 8.731 -3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.841 7.190 -6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.482 6.796 -5.400 1.00 0.00 H new ATOM 535 N ALA A 38 1.571 7.094 -2.624 1.00 0.00 N ATOM 536 CA ALA A 38 0.632 6.127 -2.100 1.00 0.00 C ATOM 537 C ALA A 38 -0.801 6.617 -2.378 1.00 0.00 C ATOM 538 O ALA A 38 -1.055 7.823 -2.453 1.00 0.00 O ATOM 539 CB ALA A 38 0.942 5.874 -0.620 1.00 0.00 C ATOM 0 H ALA A 38 1.324 8.065 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 38 0.725 5.161 -2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.237 5.146 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.957 5.489 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.853 6.808 -0.065 1.00 0.00 H new ATOM 545 N LYS A 39 -1.730 5.682 -2.577 1.00 0.00 N ATOM 546 CA LYS A 39 -3.157 5.931 -2.838 1.00 0.00 C ATOM 547 C LYS A 39 -3.981 5.286 -1.733 1.00 0.00 C ATOM 548 O LYS A 39 -3.705 4.147 -1.369 1.00 0.00 O ATOM 549 CB LYS A 39 -3.516 5.374 -4.231 1.00 0.00 C ATOM 550 CG LYS A 39 -5.008 5.381 -4.634 1.00 0.00 C ATOM 551 CD LYS A 39 -5.681 6.763 -4.692 1.00 0.00 C ATOM 552 CE LYS A 39 -4.959 7.723 -5.646 1.00 0.00 C ATOM 553 NZ LYS A 39 -5.719 8.980 -5.836 1.00 0.00 N ATOM 0 H LYS A 39 -1.504 4.687 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.376 6.999 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.963 5.946 -4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.156 4.347 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.102 4.911 -5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.558 4.760 -3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.717 6.647 -5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.703 7.196 -3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.969 7.952 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.813 7.237 -6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.201 9.604 -6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.654 8.763 -6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.836 9.457 -4.919 1.00 0.00 H new ATOM 567 N ILE A 40 -5.005 5.991 -1.256 1.00 0.00 N ATOM 568 CA ILE A 40 -6.094 5.446 -0.437 1.00 0.00 C ATOM 569 C ILE A 40 -7.436 5.745 -1.111 1.00 0.00 C ATOM 570 O ILE A 40 -7.671 6.877 -1.545 1.00 0.00 O ATOM 571 CB ILE A 40 -6.003 5.953 1.020 1.00 0.00 C ATOM 572 CG1 ILE A 40 -7.125 5.382 1.910 1.00 0.00 C ATOM 573 CG2 ILE A 40 -5.902 7.483 1.147 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.426 6.201 2.016 1.00 0.00 C ATOM 0 H ILE A 40 -5.106 6.990 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.003 4.362 -0.370 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.055 5.564 1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.380 4.390 1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.725 5.252 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.842 7.758 2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.009 7.833 0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.784 7.944 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -9.128 5.686 2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.203 7.186 2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.868 6.311 1.026 1.00 0.00 H new ATOM 586 N ILE A 41 -8.303 4.733 -1.212 1.00 0.00 N ATOM 587 CA ILE A 41 -9.571 4.816 -1.955 1.00 0.00 C ATOM 588 C ILE A 41 -10.803 4.434 -1.113 1.00 0.00 C ATOM 589 O ILE A 41 -10.789 3.531 -0.271 1.00 0.00 O ATOM 590 CB ILE A 41 -9.426 4.134 -3.342 1.00 0.00 C ATOM 591 CG1 ILE A 41 -10.626 4.315 -4.298 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.083 2.638 -3.280 1.00 0.00 C ATOM 593 CD1 ILE A 41 -10.899 5.771 -4.688 1.00 0.00 C ATOM 0 H ILE A 41 -8.146 3.824 -0.778 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.789 5.861 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.578 4.681 -3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.447 3.735 -5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.518 3.903 -3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.000 2.241 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.135 2.503 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.870 2.106 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.756 5.813 -5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.112 6.354 -3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.024 6.183 -5.190 1.00 0.00 H new ATOM 715 N SER A 49 -14.939 3.357 2.980 1.00 0.00 N ATOM 716 CA SER A 49 -13.588 2.993 2.536 1.00 0.00 C ATOM 717 C SER A 49 -13.559 1.664 1.762 1.00 0.00 C ATOM 718 O SER A 49 -14.212 0.684 2.141 1.00 0.00 O ATOM 719 CB SER A 49 -12.584 2.993 3.699 1.00 0.00 C ATOM 720 OG SER A 49 -11.294 2.905 3.121 1.00 0.00 O ATOM 0 HA SER A 49 -13.276 3.768 1.836 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.681 3.901 4.294 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.767 2.152 4.368 1.00 0.00 H new ATOM 0 HG SER A 49 -10.617 2.904 3.830 1.00 0.00 H new ATOM 726 N ARG A 50 -12.747 1.607 0.694 1.00 0.00 N ATOM 727 CA ARG A 50 -12.294 0.346 0.072 1.00 0.00 C ATOM 728 C ARG A 50 -11.272 -0.355 0.975 1.00 0.00 C ATOM 729 O ARG A 50 -11.169 -1.579 0.988 1.00 0.00 O ATOM 730 CB ARG A 50 -11.673 0.622 -1.313 1.00 0.00 C ATOM 731 CG ARG A 50 -12.568 1.382 -2.308 1.00 0.00 C ATOM 732 CD ARG A 50 -13.842 0.670 -2.745 1.00 0.00 C ATOM 733 NE ARG A 50 -13.572 -0.546 -3.540 1.00 0.00 N ATOM 734 CZ ARG A 50 -14.277 -1.665 -3.542 1.00 0.00 C ATOM 735 NH1 ARG A 50 -15.224 -1.909 -2.679 1.00 0.00 N ATOM 736 NH2 ARG A 50 -14.048 -2.582 -4.435 1.00 0.00 N ATOM 0 H ARG A 50 -12.382 2.440 0.232 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.158 -0.306 -0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.754 1.191 -1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.392 -0.331 -1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.845 2.336 -1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.979 1.606 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.424 0.401 -1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.453 1.355 -3.333 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.756 -0.520 -4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.449 -1.221 -1.961 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.739 -2.788 -2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.322 -2.440 -5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.594 -3.444 -4.433 1.00 0.00 H new ATOM 750 N GLY A 51 -10.539 0.437 1.760 1.00 0.00 N ATOM 751 CA GLY A 51 -9.601 -0.029 2.783 1.00 0.00 C ATOM 752 C GLY A 51 -8.297 -0.595 2.215 1.00 0.00 C ATOM 753 O GLY A 51 -7.639 -1.434 2.830 1.00 0.00 O ATOM 0 H GLY A 51 -10.584 1.454 1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.366 0.799 3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.087 -0.796 3.386 1.00 0.00 H new ATOM 757 N PHE A 52 -7.920 -0.136 1.027 1.00 0.00 N ATOM 758 CA PHE A 52 -6.694 -0.506 0.338 1.00 0.00 C ATOM 759 C PHE A 52 -6.217 0.642 -0.556 1.00 0.00 C ATOM 760 O PHE A 52 -6.854 1.696 -0.652 1.00 0.00 O ATOM 761 CB PHE A 52 -6.916 -1.809 -0.460 1.00 0.00 C ATOM 762 CG PHE A 52 -8.062 -1.838 -1.464 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.002 -1.092 -2.659 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.154 -2.701 -1.248 1.00 0.00 C ATOM 765 CE1 PHE A 52 -9.022 -1.205 -3.622 1.00 0.00 C ATOM 766 CE2 PHE A 52 -10.170 -2.822 -2.213 1.00 0.00 C ATOM 767 CZ PHE A 52 -10.101 -2.077 -3.403 1.00 0.00 C ATOM 0 H PHE A 52 -8.484 0.530 0.499 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.907 -0.693 1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.994 -2.035 -0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.075 -2.617 0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.168 -0.429 -2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.212 -3.274 -0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.975 -0.621 -4.529 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.003 -3.487 -2.040 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.877 -2.175 -4.148 1.00 0.00 H new ATOM 777 N GLY A 53 -5.109 0.404 -1.246 1.00 0.00 N ATOM 778 CA GLY A 53 -4.694 1.163 -2.415 1.00 0.00 C ATOM 779 C GLY A 53 -3.363 0.655 -2.947 1.00 0.00 C ATOM 780 O GLY A 53 -3.043 -0.525 -2.790 1.00 0.00 O ATOM 0 H GLY A 53 -4.458 -0.342 -1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.454 1.086 -3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.608 2.218 -2.157 1.00 0.00 H new ATOM 784 N PHE A 54 -2.598 1.537 -3.587 1.00 0.00 N ATOM 785 CA PHE A 54 -1.247 1.225 -4.064 1.00 0.00 C ATOM 786 C PHE A 54 -0.164 2.027 -3.341 1.00 0.00 C ATOM 787 O PHE A 54 -0.412 3.125 -2.840 1.00 0.00 O ATOM 788 CB PHE A 54 -1.155 1.306 -5.599 1.00 0.00 C ATOM 789 CG PHE A 54 -1.427 2.658 -6.235 1.00 0.00 C ATOM 790 CD1 PHE A 54 -0.466 3.689 -6.174 1.00 0.00 C ATOM 791 CD2 PHE A 54 -2.626 2.871 -6.943 1.00 0.00 C ATOM 792 CE1 PHE A 54 -0.713 4.923 -6.803 1.00 0.00 C ATOM 793 CE2 PHE A 54 -2.867 4.102 -7.578 1.00 0.00 C ATOM 794 CZ PHE A 54 -1.912 5.131 -7.507 1.00 0.00 C ATOM 0 H PHE A 54 -2.896 2.491 -3.791 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.045 0.186 -3.803 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.156 0.987 -5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.858 0.586 -6.019 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.461 3.531 -5.643 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.364 2.085 -6.998 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.021 5.713 -6.745 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.787 4.257 -8.121 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.099 6.078 -7.992 1.00 0.00 H new ATOM 804 N VAL A 55 1.054 1.489 -3.355 1.00 0.00 N ATOM 805 CA VAL A 55 2.303 2.132 -2.940 1.00 0.00 C ATOM 806 C VAL A 55 3.341 1.967 -4.060 1.00 0.00 C ATOM 807 O VAL A 55 3.363 0.927 -4.733 1.00 0.00 O ATOM 808 CB VAL A 55 2.765 1.553 -1.582 1.00 0.00 C ATOM 809 CG1 VAL A 55 3.329 0.133 -1.668 1.00 0.00 C ATOM 810 CG2 VAL A 55 3.822 2.442 -0.923 1.00 0.00 C ATOM 0 H VAL A 55 1.206 0.533 -3.676 1.00 0.00 H new ATOM 0 HA VAL A 55 2.162 3.201 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 55 1.856 1.520 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.630 -0.200 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.565 -0.539 -2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.194 0.125 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.123 2.005 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.690 2.521 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.406 3.435 -0.751 1.00 0.00 H new ATOM 820 N SER A 56 4.181 2.976 -4.298 1.00 0.00 N ATOM 821 CA SER A 56 5.202 2.930 -5.358 1.00 0.00 C ATOM 822 C SER A 56 6.564 3.485 -4.936 1.00 0.00 C ATOM 823 O SER A 56 6.664 4.488 -4.226 1.00 0.00 O ATOM 824 CB SER A 56 4.709 3.616 -6.635 1.00 0.00 C ATOM 825 OG SER A 56 4.363 4.962 -6.384 1.00 0.00 O ATOM 0 H SER A 56 4.177 3.847 -3.766 1.00 0.00 H new ATOM 0 HA SER A 56 5.360 1.871 -5.561 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.486 3.573 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.844 3.082 -7.029 1.00 0.00 H new ATOM 0 HG SER A 56 4.053 5.380 -7.214 1.00 0.00 H new ATOM 831 N PHE A 57 7.627 2.827 -5.403 1.00 0.00 N ATOM 832 CA PHE A 57 9.022 3.139 -5.072 1.00 0.00 C ATOM 833 C PHE A 57 9.802 3.699 -6.265 1.00 0.00 C ATOM 834 O PHE A 57 9.545 3.366 -7.424 1.00 0.00 O ATOM 835 CB PHE A 57 9.735 1.885 -4.543 1.00 0.00 C ATOM 836 CG PHE A 57 9.386 1.483 -3.126 1.00 0.00 C ATOM 837 CD1 PHE A 57 9.901 2.219 -2.041 1.00 0.00 C ATOM 838 CD2 PHE A 57 8.609 0.336 -2.885 1.00 0.00 C ATOM 839 CE1 PHE A 57 9.650 1.800 -0.723 1.00 0.00 C ATOM 840 CE2 PHE A 57 8.379 -0.097 -1.568 1.00 0.00 C ATOM 841 CZ PHE A 57 8.908 0.631 -0.487 1.00 0.00 C ATOM 0 H PHE A 57 7.540 2.037 -6.042 1.00 0.00 H new ATOM 0 HA PHE A 57 8.996 3.911 -4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.504 1.051 -5.206 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.811 2.049 -4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 57 10.489 3.106 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.188 -0.213 -3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 57 10.028 2.377 0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.797 -0.988 -1.386 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.744 0.291 0.525 1.00 0.00 H new ATOM 851 N SER A 58 10.834 4.483 -5.950 1.00 0.00 N ATOM 852 CA SER A 58 11.838 4.973 -6.906 1.00 0.00 C ATOM 853 C SER A 58 12.858 3.903 -7.337 1.00 0.00 C ATOM 854 O SER A 58 13.597 4.124 -8.296 1.00 0.00 O ATOM 855 CB SER A 58 12.602 6.149 -6.282 1.00 0.00 C ATOM 856 OG SER A 58 11.710 7.140 -5.799 1.00 0.00 O ATOM 0 H SER A 58 11.003 4.806 -4.997 1.00 0.00 H new ATOM 0 HA SER A 58 11.290 5.274 -7.799 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.226 5.788 -5.465 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.270 6.587 -7.024 1.00 0.00 H new ATOM 0 HG SER A 58 11.319 6.843 -4.951 1.00 0.00 H new ATOM 862 N ASN A 59 12.912 2.764 -6.633 1.00 0.00 N ATOM 863 CA ASN A 59 13.907 1.694 -6.780 1.00 0.00 C ATOM 864 C ASN A 59 13.241 0.310 -6.682 1.00 0.00 C ATOM 865 O ASN A 59 12.268 0.143 -5.943 1.00 0.00 O ATOM 866 CB ASN A 59 14.965 1.798 -5.664 1.00 0.00 C ATOM 867 CG ASN A 59 15.442 3.207 -5.359 1.00 0.00 C ATOM 868 OD1 ASN A 59 14.966 3.848 -4.431 1.00 0.00 O ATOM 869 ND2 ASN A 59 16.367 3.732 -6.120 1.00 0.00 N ATOM 0 H ASN A 59 12.226 2.554 -5.908 1.00 0.00 H new ATOM 0 HA ASN A 59 14.374 1.808 -7.758 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.553 1.365 -4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.827 1.192 -5.944 1.00 0.00 H new ATOM 0 HD21 ASN A 59 16.696 4.681 -5.942 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.759 3.193 -6.892 1.00 0.00 H new ATOM 876 N GLU A 60 13.797 -0.706 -7.347 1.00 0.00 N ATOM 877 CA GLU A 60 13.211 -2.054 -7.339 1.00 0.00 C ATOM 878 C GLU A 60 13.590 -2.875 -6.096 1.00 0.00 C ATOM 879 O GLU A 60 12.749 -3.594 -5.553 1.00 0.00 O ATOM 880 CB GLU A 60 13.594 -2.788 -8.629 1.00 0.00 C ATOM 881 CG GLU A 60 12.636 -3.963 -8.885 1.00 0.00 C ATOM 882 CD GLU A 60 12.805 -4.625 -10.258 1.00 0.00 C ATOM 883 OE1 GLU A 60 13.877 -4.509 -10.900 1.00 0.00 O ATOM 884 OE2 GLU A 60 11.857 -5.322 -10.700 1.00 0.00 O ATOM 0 H GLU A 60 14.651 -0.624 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 60 12.128 -1.938 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.563 -2.096 -9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.618 -3.155 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.787 -4.715 -8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.610 -3.608 -8.789 1.00 0.00 H new ATOM 891 N GLN A 61 14.824 -2.732 -5.596 1.00 0.00 N ATOM 892 CA GLN A 61 15.322 -3.435 -4.406 1.00 0.00 C ATOM 893 C GLN A 61 14.442 -3.151 -3.178 1.00 0.00 C ATOM 894 O GLN A 61 14.070 -4.080 -2.460 1.00 0.00 O ATOM 895 CB GLN A 61 16.792 -3.036 -4.170 1.00 0.00 C ATOM 896 CG GLN A 61 17.463 -3.831 -3.038 1.00 0.00 C ATOM 897 CD GLN A 61 18.950 -3.510 -2.858 1.00 0.00 C ATOM 898 OE1 GLN A 61 19.483 -2.495 -3.293 1.00 0.00 O ATOM 899 NE2 GLN A 61 19.680 -4.369 -2.189 1.00 0.00 N ATOM 0 H GLN A 61 15.518 -2.113 -6.015 1.00 0.00 H new ATOM 0 HA GLN A 61 15.273 -4.511 -4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.354 -3.185 -5.092 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.840 -1.973 -3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.941 -3.627 -2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.352 -4.897 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 61 19.256 -5.219 -1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.672 -4.187 -2.039 1.00 0.00 H new ATOM 908 N ALA A 62 14.033 -1.890 -2.992 1.00 0.00 N ATOM 909 CA ALA A 62 13.103 -1.476 -1.942 1.00 0.00 C ATOM 910 C ALA A 62 11.730 -2.161 -2.066 1.00 0.00 C ATOM 911 O ALA A 62 11.204 -2.659 -1.073 1.00 0.00 O ATOM 912 CB ALA A 62 12.961 0.050 -1.998 1.00 0.00 C ATOM 0 H ALA A 62 14.347 -1.117 -3.579 1.00 0.00 H new ATOM 0 HA ALA A 62 13.506 -1.784 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.271 0.380 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 62 13.935 0.512 -1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.576 0.344 -2.975 1.00 0.00 H new ATOM 918 N MET A 63 11.173 -2.249 -3.282 1.00 0.00 N ATOM 919 CA MET A 63 9.894 -2.925 -3.525 1.00 0.00 C ATOM 920 C MET A 63 9.978 -4.426 -3.213 1.00 0.00 C ATOM 921 O MET A 63 9.087 -4.972 -2.562 1.00 0.00 O ATOM 922 CB MET A 63 9.444 -2.694 -4.981 1.00 0.00 C ATOM 923 CG MET A 63 7.993 -3.149 -5.206 1.00 0.00 C ATOM 924 SD MET A 63 7.425 -3.239 -6.925 1.00 0.00 S ATOM 925 CE MET A 63 8.411 -4.630 -7.545 1.00 0.00 C ATOM 0 H MET A 63 11.596 -1.854 -4.122 1.00 0.00 H new ATOM 0 HA MET A 63 9.152 -2.496 -2.852 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.536 -1.636 -5.227 1.00 0.00 H new ATOM 0 HB3 MET A 63 10.105 -3.237 -5.657 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.872 -4.134 -4.756 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.335 -2.468 -4.666 1.00 0.00 H new ATOM 0 HE1 MET A 63 8.049 -4.922 -8.531 1.00 0.00 H new ATOM 0 HE2 MET A 63 9.457 -4.331 -7.616 1.00 0.00 H new ATOM 0 HE3 MET A 63 8.320 -5.474 -6.861 1.00 0.00 H new ATOM 935 N GLN A 64 11.044 -5.100 -3.651 1.00 0.00 N ATOM 936 CA GLN A 64 11.151 -6.553 -3.527 1.00 0.00 C ATOM 937 C GLN A 64 11.527 -7.010 -2.112 1.00 0.00 C ATOM 938 O GLN A 64 10.940 -7.987 -1.633 1.00 0.00 O ATOM 939 CB GLN A 64 12.136 -7.111 -4.563 1.00 0.00 C ATOM 940 CG GLN A 64 11.679 -6.971 -6.031 1.00 0.00 C ATOM 941 CD GLN A 64 10.473 -7.832 -6.410 1.00 0.00 C ATOM 942 OE1 GLN A 64 9.913 -8.573 -5.615 1.00 0.00 O ATOM 943 NE2 GLN A 64 10.047 -7.822 -7.652 1.00 0.00 N ATOM 0 H GLN A 64 11.848 -4.659 -4.097 1.00 0.00 H new ATOM 0 HA GLN A 64 10.159 -6.958 -3.725 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.093 -6.602 -4.445 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.307 -8.166 -4.349 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.437 -5.926 -6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 64 12.513 -7.231 -6.683 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.493 -7.215 -8.339 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.270 -8.421 -7.929 1.00 0.00 H new ATOM 952 N ASP A 65 12.435 -6.308 -1.422 1.00 0.00 N ATOM 953 CA ASP A 65 12.748 -6.586 -0.013 1.00 0.00 C ATOM 954 C ASP A 65 11.566 -6.250 0.912 1.00 0.00 C ATOM 955 O ASP A 65 11.390 -6.930 1.927 1.00 0.00 O ATOM 956 CB ASP A 65 14.017 -5.834 0.437 1.00 0.00 C ATOM 957 CG ASP A 65 15.342 -6.503 0.042 1.00 0.00 C ATOM 958 OD1 ASP A 65 15.340 -7.630 -0.518 1.00 0.00 O ATOM 959 OD2 ASP A 65 16.412 -5.952 0.403 1.00 0.00 O ATOM 0 H ASP A 65 12.970 -5.537 -1.820 1.00 0.00 H new ATOM 0 HA ASP A 65 12.938 -7.657 0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.995 -4.829 0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.991 -5.725 1.521 1.00 0.00 H new ATOM 964 N ALA A 66 10.725 -5.273 0.544 1.00 0.00 N ATOM 965 CA ALA A 66 9.459 -5.035 1.234 1.00 0.00 C ATOM 966 C ALA A 66 8.499 -6.217 1.033 1.00 0.00 C ATOM 967 O ALA A 66 8.167 -6.890 2.001 1.00 0.00 O ATOM 968 CB ALA A 66 8.855 -3.692 0.801 1.00 0.00 C ATOM 0 H ALA A 66 10.904 -4.635 -0.231 1.00 0.00 H new ATOM 0 HA ALA A 66 9.643 -4.965 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.913 -3.531 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.548 -2.886 1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.675 -3.704 -0.274 1.00 0.00 H new ATOM 974 N ILE A 67 8.082 -6.523 -0.201 1.00 0.00 N ATOM 975 CA ILE A 67 7.084 -7.571 -0.504 1.00 0.00 C ATOM 976 C ILE A 67 7.440 -8.935 0.123 1.00 0.00 C ATOM 977 O ILE A 67 6.584 -9.548 0.772 1.00 0.00 O ATOM 978 CB ILE A 67 6.848 -7.655 -2.034 1.00 0.00 C ATOM 979 CG1 ILE A 67 6.096 -6.389 -2.514 1.00 0.00 C ATOM 980 CG2 ILE A 67 6.051 -8.911 -2.436 1.00 0.00 C ATOM 981 CD1 ILE A 67 6.000 -6.255 -4.039 1.00 0.00 C ATOM 0 H ILE A 67 8.430 -6.046 -1.033 1.00 0.00 H new ATOM 0 HA ILE A 67 6.143 -7.284 -0.035 1.00 0.00 H new ATOM 0 HB ILE A 67 7.825 -7.720 -2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.089 -6.398 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.598 -5.508 -2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.912 -8.923 -3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.598 -9.803 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.078 -8.897 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.459 -5.343 -4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.003 -6.211 -4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.470 -7.115 -4.447 1.00 0.00 H new ATOM 993 N GLU A 68 8.692 -9.400 0.011 1.00 0.00 N ATOM 994 CA GLU A 68 9.108 -10.690 0.599 1.00 0.00 C ATOM 995 C GLU A 68 9.066 -10.702 2.148 1.00 0.00 C ATOM 996 O GLU A 68 8.957 -11.773 2.754 1.00 0.00 O ATOM 997 CB GLU A 68 10.501 -11.060 0.051 1.00 0.00 C ATOM 998 CG GLU A 68 10.909 -12.535 0.207 1.00 0.00 C ATOM 999 CD GLU A 68 10.009 -13.517 -0.566 1.00 0.00 C ATOM 1000 OE1 GLU A 68 9.951 -13.458 -1.820 1.00 0.00 O ATOM 1001 OE2 GLU A 68 9.349 -14.367 0.077 1.00 0.00 O ATOM 0 H GLU A 68 9.437 -8.906 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 68 8.386 -11.450 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.535 -10.803 -1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.245 -10.441 0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.937 -12.655 -0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.891 -12.797 1.265 1.00 0.00 H new ATOM 1008 N GLY A 69 9.100 -9.534 2.803 1.00 0.00 N ATOM 1009 CA GLY A 69 8.928 -9.380 4.256 1.00 0.00 C ATOM 1010 C GLY A 69 7.512 -9.000 4.725 1.00 0.00 C ATOM 1011 O GLY A 69 7.140 -9.322 5.855 1.00 0.00 O ATOM 0 H GLY A 69 9.252 -8.646 2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.211 -10.316 4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.624 -8.618 4.607 1.00 0.00 H new ATOM 1015 N MET A 70 6.723 -8.339 3.871 1.00 0.00 N ATOM 1016 CA MET A 70 5.443 -7.684 4.199 1.00 0.00 C ATOM 1017 C MET A 70 4.259 -8.640 4.368 1.00 0.00 C ATOM 1018 O MET A 70 3.320 -8.304 5.091 1.00 0.00 O ATOM 1019 CB MET A 70 5.112 -6.649 3.104 1.00 0.00 C ATOM 1020 CG MET A 70 5.801 -5.297 3.335 1.00 0.00 C ATOM 1021 SD MET A 70 5.276 -4.386 4.816 1.00 0.00 S ATOM 1022 CE MET A 70 6.355 -2.937 4.663 1.00 0.00 C ATOM 0 H MET A 70 6.967 -8.239 2.886 1.00 0.00 H new ATOM 0 HA MET A 70 5.585 -7.213 5.172 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.414 -7.044 2.134 1.00 0.00 H new ATOM 0 HB3 MET A 70 4.033 -6.500 3.066 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.876 -5.464 3.396 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.626 -4.667 2.463 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.801 -2.040 4.939 1.00 0.00 H new ATOM 0 HE2 MET A 70 7.214 -3.051 5.325 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.700 -2.848 3.633 1.00 0.00 H new ATOM 1032 N ASN A 71 4.275 -9.814 3.725 1.00 0.00 N ATOM 1033 CA ASN A 71 3.171 -10.778 3.809 1.00 0.00 C ATOM 1034 C ASN A 71 2.782 -11.074 5.276 1.00 0.00 C ATOM 1035 O ASN A 71 3.580 -11.627 6.041 1.00 0.00 O ATOM 1036 CB ASN A 71 3.566 -12.054 3.042 1.00 0.00 C ATOM 1037 CG ASN A 71 2.507 -13.147 3.086 1.00 0.00 C ATOM 1038 OD1 ASN A 71 1.331 -12.916 3.348 1.00 0.00 O ATOM 1039 ND2 ASN A 71 2.883 -14.370 2.814 1.00 0.00 N ATOM 0 H ASN A 71 5.049 -10.121 3.135 1.00 0.00 H new ATOM 0 HA ASN A 71 2.281 -10.351 3.346 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.765 -11.795 2.002 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.495 -12.444 3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.199 -15.127 2.820 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.860 -14.567 2.596 1.00 0.00 H new ATOM 1046 N GLY A 72 1.562 -10.684 5.663 1.00 0.00 N ATOM 1047 CA GLY A 72 0.978 -10.966 6.981 1.00 0.00 C ATOM 1048 C GLY A 72 1.369 -10.019 8.127 1.00 0.00 C ATOM 1049 O GLY A 72 0.994 -10.288 9.270 1.00 0.00 O ATOM 0 H GLY A 72 0.939 -10.152 5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.107 -10.951 6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.258 -11.980 7.267 1.00 0.00 H new ATOM 1053 N LYS A 73 2.091 -8.919 7.863 1.00 0.00 N ATOM 1054 CA LYS A 73 2.393 -7.877 8.870 1.00 0.00 C ATOM 1055 C LYS A 73 1.135 -7.112 9.316 1.00 0.00 C ATOM 1056 O LYS A 73 0.078 -7.228 8.702 1.00 0.00 O ATOM 1057 CB LYS A 73 3.487 -6.929 8.331 1.00 0.00 C ATOM 1058 CG LYS A 73 4.866 -7.592 8.143 1.00 0.00 C ATOM 1059 CD LYS A 73 5.490 -8.036 9.474 1.00 0.00 C ATOM 1060 CE LYS A 73 6.863 -8.677 9.259 1.00 0.00 C ATOM 1061 NZ LYS A 73 7.380 -9.242 10.526 1.00 0.00 N ATOM 0 H LYS A 73 2.485 -8.722 6.943 1.00 0.00 H new ATOM 0 HA LYS A 73 2.773 -8.370 9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.159 -6.522 7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.592 -6.088 9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.764 -8.456 7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.538 -6.892 7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.588 -7.176 10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.828 -8.747 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.789 -9.463 8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.561 -7.933 8.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.312 -9.672 10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.470 -8.484 11.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.722 -9.967 10.877 1.00 0.00 H new ATOM 1075 N GLU A 74 1.238 -6.331 10.394 1.00 0.00 N ATOM 1076 CA GLU A 74 0.106 -5.586 10.981 1.00 0.00 C ATOM 1077 C GLU A 74 0.333 -4.060 10.953 1.00 0.00 C ATOM 1078 O GLU A 74 1.259 -3.547 11.598 1.00 0.00 O ATOM 1079 CB GLU A 74 -0.181 -6.116 12.400 1.00 0.00 C ATOM 1080 CG GLU A 74 -0.756 -7.545 12.369 1.00 0.00 C ATOM 1081 CD GLU A 74 -0.825 -8.185 13.761 1.00 0.00 C ATOM 1082 OE1 GLU A 74 -1.762 -7.887 14.541 1.00 0.00 O ATOM 1083 OE2 GLU A 74 0.041 -9.034 14.082 1.00 0.00 O ATOM 0 H GLU A 74 2.116 -6.192 10.894 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.778 -5.757 10.367 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.739 -6.106 12.985 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.885 -5.451 12.901 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.755 -7.521 11.935 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.141 -8.166 11.718 1.00 0.00 H new ATOM 1090 N LEU A 75 -0.526 -3.330 10.229 1.00 0.00 N ATOM 1091 CA LEU A 75 -0.517 -1.865 10.053 1.00 0.00 C ATOM 1092 C LEU A 75 -1.788 -1.238 10.639 1.00 0.00 C ATOM 1093 O LEU A 75 -2.890 -1.714 10.387 1.00 0.00 O ATOM 1094 CB LEU A 75 -0.408 -1.485 8.559 1.00 0.00 C ATOM 1095 CG LEU A 75 1.015 -1.292 8.005 1.00 0.00 C ATOM 1096 CD1 LEU A 75 1.896 -2.530 8.155 1.00 0.00 C ATOM 1097 CD2 LEU A 75 0.942 -0.916 6.522 1.00 0.00 C ATOM 0 H LEU A 75 -1.293 -3.769 9.719 1.00 0.00 H new ATOM 0 HA LEU A 75 0.354 -1.480 10.583 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.901 -2.260 7.972 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.965 -0.562 8.400 1.00 0.00 H new ATOM 0 HG LEU A 75 1.471 -0.495 8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.885 -2.325 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.987 -2.786 9.211 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.446 -3.364 7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.950 -0.780 6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.443 -1.712 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.381 0.011 6.409 1.00 0.00 H new ATOM 1109 N ASP A 76 -1.628 -0.147 11.389 1.00 0.00 N ATOM 1110 CA ASP A 76 -2.710 0.615 12.047 1.00 0.00 C ATOM 1111 C ASP A 76 -3.779 -0.247 12.775 1.00 0.00 C ATOM 1112 O ASP A 76 -4.969 0.093 12.821 1.00 0.00 O ATOM 1113 CB ASP A 76 -3.293 1.638 11.053 1.00 0.00 C ATOM 1114 CG ASP A 76 -4.032 2.795 11.744 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -3.522 3.342 12.755 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -5.100 3.221 11.241 1.00 0.00 O ATOM 0 H ASP A 76 -0.707 0.253 11.567 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.263 1.159 12.879 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.486 2.043 10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.979 1.128 10.377 1.00 0.00 H new ATOM 1121 N GLY A 77 -3.359 -1.389 13.332 1.00 0.00 N ATOM 1122 CA GLY A 77 -4.219 -2.362 14.016 1.00 0.00 C ATOM 1123 C GLY A 77 -4.979 -3.339 13.103 1.00 0.00 C ATOM 1124 O GLY A 77 -5.990 -3.892 13.541 1.00 0.00 O ATOM 0 H GLY A 77 -2.379 -1.671 13.319 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.604 -2.941 14.705 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.946 -1.817 14.618 1.00 0.00 H new ATOM 1128 N ARG A 78 -4.543 -3.542 11.850 1.00 0.00 N ATOM 1129 CA ARG A 78 -5.137 -4.444 10.836 1.00 0.00 C ATOM 1130 C ARG A 78 -4.063 -5.316 10.168 1.00 0.00 C ATOM 1131 O ARG A 78 -2.951 -4.854 9.922 1.00 0.00 O ATOM 1132 CB ARG A 78 -5.846 -3.590 9.766 1.00 0.00 C ATOM 1133 CG ARG A 78 -7.135 -2.901 10.254 1.00 0.00 C ATOM 1134 CD ARG A 78 -8.387 -3.773 10.078 1.00 0.00 C ATOM 1135 NE ARG A 78 -8.742 -3.960 8.658 1.00 0.00 N ATOM 1136 CZ ARG A 78 -9.588 -4.852 8.169 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -10.223 -5.721 8.900 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -9.851 -4.914 6.903 1.00 0.00 N ATOM 0 H ARG A 78 -3.721 -3.057 11.492 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.849 -5.106 11.330 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.153 -2.828 9.409 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.088 -4.225 8.913 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.025 -2.642 11.307 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.270 -1.967 9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.218 -4.746 10.539 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.225 -3.313 10.602 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.290 -3.340 7.986 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.081 -5.739 9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.863 -6.384 8.463 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.402 -4.265 6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.507 -5.611 6.552 1.00 0.00 H new ATOM 1152 N SER A 79 -4.389 -6.565 9.830 1.00 0.00 N ATOM 1153 CA SER A 79 -3.465 -7.492 9.148 1.00 0.00 C ATOM 1154 C SER A 79 -3.430 -7.266 7.626 1.00 0.00 C ATOM 1155 O SER A 79 -4.487 -7.151 6.992 1.00 0.00 O ATOM 1156 CB SER A 79 -3.835 -8.938 9.494 1.00 0.00 C ATOM 1157 OG SER A 79 -2.829 -9.828 9.051 1.00 0.00 O ATOM 0 H SER A 79 -5.305 -6.970 10.020 1.00 0.00 H new ATOM 0 HA SER A 79 -2.456 -7.290 9.507 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.968 -9.037 10.571 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.787 -9.197 9.030 1.00 0.00 H new ATOM 0 HG SER A 79 -3.080 -10.747 9.281 1.00 0.00 H new ATOM 1163 N ILE A 80 -2.232 -7.211 7.028 1.00 0.00 N ATOM 1164 CA ILE A 80 -2.024 -6.793 5.627 1.00 0.00 C ATOM 1165 C ILE A 80 -1.878 -7.948 4.629 1.00 0.00 C ATOM 1166 O ILE A 80 -1.567 -9.082 5.001 1.00 0.00 O ATOM 1167 CB ILE A 80 -0.876 -5.760 5.463 1.00 0.00 C ATOM 1168 CG1 ILE A 80 0.540 -6.369 5.318 1.00 0.00 C ATOM 1169 CG2 ILE A 80 -0.898 -4.701 6.577 1.00 0.00 C ATOM 1170 CD1 ILE A 80 1.613 -5.326 4.976 1.00 0.00 C ATOM 0 H ILE A 80 -1.366 -7.458 7.507 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.958 -6.293 5.368 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.085 -5.280 4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.811 -6.868 6.248 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.523 -7.132 4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.079 -3.997 6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.847 -4.165 6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.783 -5.189 7.545 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.582 -5.817 4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.363 -4.844 4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.656 -4.576 5.766 1.00 0.00 H new ATOM 1182 N VAL A 81 -2.035 -7.624 3.342 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.652 -8.464 2.190 1.00 0.00 C ATOM 1184 C VAL A 81 -0.909 -7.598 1.167 1.00 0.00 C ATOM 1185 O VAL A 81 -1.272 -6.435 0.965 1.00 0.00 O ATOM 1186 CB VAL A 81 -2.883 -9.148 1.555 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -2.551 -9.962 0.296 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.533 -10.117 2.548 1.00 0.00 C ATOM 0 H VAL A 81 -2.448 -6.736 3.057 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.993 -9.261 2.534 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.551 -8.331 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.462 -10.414 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.118 -9.305 -0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.837 -10.746 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.398 -10.589 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.812 -10.883 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.852 -9.570 3.435 1.00 0.00 H new ATOM 1198 N VAL A 82 0.126 -8.164 0.532 1.00 0.00 N ATOM 1199 CA VAL A 82 0.957 -7.511 -0.499 1.00 0.00 C ATOM 1200 C VAL A 82 0.982 -8.296 -1.820 1.00 0.00 C ATOM 1201 O VAL A 82 1.241 -9.500 -1.818 1.00 0.00 O ATOM 1202 CB VAL A 82 2.393 -7.245 -0.022 1.00 0.00 C ATOM 1203 CG1 VAL A 82 2.381 -6.084 0.975 1.00 0.00 C ATOM 1204 CG2 VAL A 82 3.092 -8.460 0.605 1.00 0.00 C ATOM 0 H VAL A 82 0.421 -9.121 0.725 1.00 0.00 H new ATOM 0 HA VAL A 82 0.478 -6.549 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 82 2.972 -7.000 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.397 -5.889 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.984 -5.192 0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.753 -6.343 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.100 -8.181 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.527 -8.796 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.146 -9.266 -0.127 1.00 0.00 H new ATOM 1214 N ASN A 83 0.783 -7.632 -2.963 1.00 0.00 N ATOM 1215 CA ASN A 83 1.170 -8.149 -4.289 1.00 0.00 C ATOM 1216 C ASN A 83 1.410 -7.017 -5.304 1.00 0.00 C ATOM 1217 O ASN A 83 1.013 -5.876 -5.085 1.00 0.00 O ATOM 1218 CB ASN A 83 0.169 -9.201 -4.825 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.234 -8.734 -5.181 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -1.672 -7.614 -4.955 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -2.008 -9.609 -5.772 1.00 0.00 N ATOM 0 H ASN A 83 0.345 -6.712 -2.999 1.00 0.00 H new ATOM 0 HA ASN A 83 2.122 -8.663 -4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.606 -9.655 -5.715 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.079 -9.988 -4.077 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.959 -9.352 -6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.660 -10.547 -5.968 1.00 0.00 H new ATOM 1228 N GLU A 84 2.069 -7.311 -6.426 1.00 0.00 N ATOM 1229 CA GLU A 84 2.301 -6.335 -7.504 1.00 0.00 C ATOM 1230 C GLU A 84 0.993 -5.788 -8.114 1.00 0.00 C ATOM 1231 O GLU A 84 -0.047 -6.453 -8.101 1.00 0.00 O ATOM 1232 CB GLU A 84 3.249 -6.922 -8.566 1.00 0.00 C ATOM 1233 CG GLU A 84 2.722 -8.155 -9.322 1.00 0.00 C ATOM 1234 CD GLU A 84 1.662 -7.841 -10.389 1.00 0.00 C ATOM 1235 OE1 GLU A 84 1.730 -6.787 -11.071 1.00 0.00 O ATOM 1236 OE2 GLU A 84 0.732 -8.666 -10.561 1.00 0.00 O ATOM 0 H GLU A 84 2.460 -8.233 -6.618 1.00 0.00 H new ATOM 0 HA GLU A 84 2.791 -5.468 -7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.477 -6.143 -9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.187 -7.190 -8.081 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.562 -8.660 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.298 -8.854 -8.601 1.00 0.00 H new ATOM 1243 N ALA A 85 1.034 -4.561 -8.639 1.00 0.00 N ATOM 1244 CA ALA A 85 -0.132 -3.840 -9.167 1.00 0.00 C ATOM 1245 C ALA A 85 0.105 -3.233 -10.570 1.00 0.00 C ATOM 1246 O ALA A 85 -0.590 -2.300 -10.982 1.00 0.00 O ATOM 1247 CB ALA A 85 -0.555 -2.809 -8.111 1.00 0.00 C ATOM 0 H ALA A 85 1.899 -4.026 -8.712 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.951 -4.539 -9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.421 -2.254 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.813 -3.322 -7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.268 -2.118 -7.927 1.00 0.00 H new