USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 628 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 87 ASN :FLIP amide:sc= -0.0206 F(o=-1.5,f=-0.76) USER MOD Set 1.2: A 90 ASN : amide:sc= -0.739 X(o=-0.76,f=-1.2) USER MOD Set 2.1: A 65 HIS : no HD1:sc= -0.2 X(o=-0.48,f=-0.28) USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 MET CE :methyl -156:sc= -0.0975 (180deg=-0.754) USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= -1.2 (180deg=-2.77!) USER MOD Single : A 17 TYR OH : rot -153:sc= -0.353 USER MOD Single : A 19 ASN : amide:sc= 0.021 K(o=0.021,f=-1.2) USER MOD Single : A 27 SER OG : rot 60:sc= -0.872 USER MOD Single : A 29 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.034) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.803 K(o=-0.8,f=-11!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.869 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 36:sc= 1.06 USER MOD Single : A 54 LYS NZ :NH3+ -129:sc= 0.0291 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.878 K(o=-0.88,f=-5.6!) USER MOD Single : A 61 SER OG : rot -140:sc= -2.9! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.98 K(o=-0.98,f=-2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -72:sc= 0.554 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0908 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= -0.0011 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 82 SER OG : rot 110:sc= -0.832 USER MOD Single : A 83 ASN : amide:sc=-0.00017 K(o=-0.00017,f=-1.3) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LEU A 11 -9.283 -12.149 -1.298 1.00 0.00 N ATOM 155 CA LEU A 11 -9.572 -10.826 -0.761 1.00 0.00 C ATOM 156 C LEU A 11 -9.493 -10.842 0.763 1.00 0.00 C ATOM 157 O LEU A 11 -9.594 -11.902 1.383 1.00 0.00 O ATOM 158 CB LEU A 11 -10.965 -10.366 -1.208 1.00 0.00 C ATOM 159 CG LEU A 11 -12.094 -11.379 -0.974 1.00 0.00 C ATOM 160 CD1 LEU A 11 -13.355 -10.671 -0.503 1.00 0.00 C ATOM 161 CD2 LEU A 11 -12.370 -12.179 -2.240 1.00 0.00 C ATOM 0 HA LEU A 11 -8.828 -10.127 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.212 -9.444 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.927 -10.127 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.777 -12.072 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.145 -11.404 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.151 -10.147 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.674 -9.954 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.174 -12.891 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.665 -11.502 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.469 -12.718 -2.534 1.00 0.00 H new ATOM 173 N SER A 12 -9.317 -9.661 1.357 1.00 0.00 N ATOM 174 CA SER A 12 -9.228 -9.529 2.810 1.00 0.00 C ATOM 175 C SER A 12 -7.999 -10.258 3.365 1.00 0.00 C ATOM 176 O SER A 12 -7.971 -11.489 3.434 1.00 0.00 O ATOM 177 CB SER A 12 -10.509 -10.054 3.474 1.00 0.00 C ATOM 178 OG SER A 12 -10.322 -10.269 4.862 1.00 0.00 O ATOM 0 H SER A 12 -9.233 -8.779 0.851 1.00 0.00 H new ATOM 0 HA SER A 12 -9.119 -8.470 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.319 -9.340 3.321 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.812 -10.986 2.997 1.00 0.00 H new ATOM 0 HG SER A 12 -11.155 -10.601 5.257 1.00 0.00 H new ATOM 184 N ASN A 13 -6.985 -9.484 3.766 1.00 0.00 N ATOM 185 CA ASN A 13 -5.753 -10.047 4.322 1.00 0.00 C ATOM 186 C ASN A 13 -5.126 -9.092 5.346 1.00 0.00 C ATOM 187 O ASN A 13 -5.250 -9.302 6.554 1.00 0.00 O ATOM 188 CB ASN A 13 -4.748 -10.362 3.204 1.00 0.00 C ATOM 189 CG ASN A 13 -4.821 -11.807 2.744 1.00 0.00 C ATOM 190 OD1 ASN A 13 -5.267 -12.093 1.634 1.00 0.00 O ATOM 191 ND2 ASN A 13 -4.382 -12.729 3.595 1.00 0.00 N ATOM 0 H ASN A 13 -6.995 -8.465 3.715 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.010 -10.976 4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.936 -9.704 2.355 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.739 -10.147 3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.408 -13.715 3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.019 -12.450 4.507 1.00 0.00 H new ATOM 198 N MET A 14 -4.454 -8.045 4.856 1.00 0.00 N ATOM 199 CA MET A 14 -3.809 -7.057 5.724 1.00 0.00 C ATOM 200 C MET A 14 -3.167 -5.946 4.894 1.00 0.00 C ATOM 201 O MET A 14 -2.400 -6.218 3.970 1.00 0.00 O ATOM 202 CB MET A 14 -2.751 -7.726 6.608 1.00 0.00 C ATOM 203 CG MET A 14 -3.044 -7.625 8.095 1.00 0.00 C ATOM 204 SD MET A 14 -2.957 -5.930 8.701 1.00 0.00 S ATOM 205 CE MET A 14 -4.407 -5.867 9.748 1.00 0.00 C ATOM 0 H MET A 14 -4.343 -7.860 3.859 1.00 0.00 H new ATOM 0 HA MET A 14 -4.575 -6.618 6.363 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.673 -8.778 6.333 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.781 -7.271 6.406 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.037 -8.029 8.295 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.333 -8.241 8.645 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.737 -4.833 9.850 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.205 -6.460 9.301 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.163 -6.269 10.731 1.00 0.00 H new ATOM 215 N LYS A 15 -3.488 -4.695 5.225 1.00 0.00 N ATOM 216 CA LYS A 15 -2.945 -3.546 4.506 1.00 0.00 C ATOM 217 C LYS A 15 -2.742 -2.361 5.451 1.00 0.00 C ATOM 218 O LYS A 15 -3.439 -2.233 6.460 1.00 0.00 O ATOM 219 CB LYS A 15 -3.877 -3.165 3.351 1.00 0.00 C ATOM 220 CG LYS A 15 -3.142 -2.739 2.090 1.00 0.00 C ATOM 221 CD LYS A 15 -3.920 -3.111 0.836 1.00 0.00 C ATOM 222 CE LYS A 15 -4.033 -4.621 0.676 1.00 0.00 C ATOM 223 NZ LYS A 15 -4.489 -5.006 -0.690 1.00 0.00 N ATOM 0 H LYS A 15 -4.122 -4.453 5.987 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.972 -3.818 4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.519 -4.015 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.528 -2.353 3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.977 -1.662 2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.160 -3.211 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.917 -2.673 0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.426 -2.687 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.065 -5.080 0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.732 -5.012 1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.120 -5.949 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.528 -5.025 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.137 -4.313 -1.381 1.00 0.00 H new ATOM 237 N PHE A 16 -1.775 -1.506 5.132 1.00 0.00 N ATOM 238 CA PHE A 16 -1.474 -0.346 5.966 1.00 0.00 C ATOM 239 C PHE A 16 -0.744 0.723 5.150 1.00 0.00 C ATOM 240 O PHE A 16 0.252 0.428 4.496 1.00 0.00 O ATOM 241 CB PHE A 16 -0.637 -0.794 7.167 1.00 0.00 C ATOM 242 CG PHE A 16 -0.308 0.292 8.154 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.314 1.014 8.777 1.00 0.00 C ATOM 244 CD2 PHE A 16 1.011 0.579 8.472 1.00 0.00 C ATOM 245 CE1 PHE A 16 -1.011 2.001 9.696 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.319 1.564 9.392 1.00 0.00 C ATOM 247 CZ PHE A 16 0.307 2.276 10.004 1.00 0.00 C ATOM 0 H PHE A 16 -1.187 -1.594 4.303 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.402 0.095 6.329 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.173 -1.588 7.688 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.295 -1.225 6.801 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.347 0.803 8.542 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.807 0.026 7.995 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.805 2.557 10.173 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.350 1.776 9.632 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.545 3.047 10.722 1.00 0.00 H new ATOM 257 N TYR A 17 -1.253 1.958 5.175 1.00 0.00 N ATOM 258 CA TYR A 17 -0.646 3.052 4.414 1.00 0.00 C ATOM 259 C TYR A 17 -0.214 4.200 5.328 1.00 0.00 C ATOM 260 O TYR A 17 -1.020 5.056 5.691 1.00 0.00 O ATOM 261 CB TYR A 17 -1.629 3.553 3.350 1.00 0.00 C ATOM 262 CG TYR A 17 -1.544 2.792 2.043 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.598 1.405 2.023 1.00 0.00 C ATOM 264 CD2 TYR A 17 -1.402 3.459 0.832 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.510 0.703 0.839 1.00 0.00 C ATOM 266 CE2 TYR A 17 -1.317 2.764 -0.359 1.00 0.00 C ATOM 267 CZ TYR A 17 -1.370 1.386 -0.351 1.00 0.00 C ATOM 268 OH TYR A 17 -1.275 0.691 -1.534 1.00 0.00 O ATOM 0 H TYR A 17 -2.079 2.224 5.711 1.00 0.00 H new ATOM 0 HA TYR A 17 0.250 2.670 3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.644 3.477 3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.439 4.609 3.159 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.711 0.866 2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.357 4.538 0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.551 -0.376 0.844 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.210 3.297 -1.292 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.767 1.220 -2.184 1.00 0.00 H new ATOM 278 N LEU A 18 1.070 4.213 5.692 1.00 0.00 N ATOM 279 CA LEU A 18 1.617 5.254 6.558 1.00 0.00 C ATOM 280 C LEU A 18 3.094 5.501 6.246 1.00 0.00 C ATOM 281 O LEU A 18 3.970 5.168 7.042 1.00 0.00 O ATOM 282 CB LEU A 18 1.440 4.865 8.034 1.00 0.00 C ATOM 283 CG LEU A 18 0.395 5.679 8.806 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.976 5.027 8.715 1.00 0.00 C ATOM 285 CD2 LEU A 18 0.808 5.837 10.264 1.00 0.00 C ATOM 0 H LEU A 18 1.750 3.512 5.399 1.00 0.00 H new ATOM 0 HA LEU A 18 1.070 6.178 6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.165 3.811 8.084 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.401 4.968 8.538 1.00 0.00 H new ATOM 0 HG LEU A 18 0.336 6.668 8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.700 5.623 9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.281 4.966 7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.931 4.024 9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.054 6.418 10.795 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.900 4.853 10.725 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.767 6.353 10.317 1.00 0.00 H new ATOM 297 N ASN A 19 3.366 6.085 5.079 1.00 0.00 N ATOM 298 CA ASN A 19 4.741 6.374 4.662 1.00 0.00 C ATOM 299 C ASN A 19 5.493 7.167 5.734 1.00 0.00 C ATOM 300 O ASN A 19 4.883 7.860 6.549 1.00 0.00 O ATOM 301 CB ASN A 19 4.741 7.147 3.338 1.00 0.00 C ATOM 302 CG ASN A 19 4.169 6.332 2.190 1.00 0.00 C ATOM 303 OD1 ASN A 19 2.963 6.098 2.122 1.00 0.00 O ATOM 304 ND2 ASN A 19 5.034 5.896 1.282 1.00 0.00 N ATOM 0 H ASN A 19 2.654 6.368 4.405 1.00 0.00 H new ATOM 0 HA ASN A 19 5.256 5.423 4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.160 8.062 3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.761 7.446 3.095 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.706 5.344 0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.026 6.113 1.377 1.00 0.00 H new ATOM 311 N ARG A 20 6.823 7.061 5.724 1.00 0.00 N ATOM 312 CA ARG A 20 7.659 7.771 6.690 1.00 0.00 C ATOM 313 C ARG A 20 7.969 9.182 6.191 1.00 0.00 C ATOM 314 O ARG A 20 7.668 9.519 5.043 1.00 0.00 O ATOM 315 CB ARG A 20 8.961 6.997 6.938 1.00 0.00 C ATOM 316 CG ARG A 20 9.579 7.254 8.305 1.00 0.00 C ATOM 317 CD ARG A 20 10.812 8.141 8.207 1.00 0.00 C ATOM 318 NE ARG A 20 12.036 7.360 8.040 1.00 0.00 N ATOM 319 CZ ARG A 20 12.665 7.181 6.873 1.00 0.00 C ATOM 320 NH1 ARG A 20 12.190 7.721 5.751 1.00 0.00 N ATOM 321 NH2 ARG A 20 13.779 6.457 6.829 1.00 0.00 N ATOM 0 H ARG A 20 7.343 6.490 5.057 1.00 0.00 H new ATOM 0 HA ARG A 20 7.113 7.847 7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.764 5.930 6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.684 7.264 6.167 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.842 7.726 8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.849 6.304 8.767 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.701 8.825 7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.892 8.752 9.106 1.00 0.00 H new ATOM 0 HE ARG A 20 12.438 6.922 8.869 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.337 8.279 5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.680 7.576 4.868 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.151 6.041 7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.262 6.318 5.941 1.00 0.00 H new ATOM 397 N ASP A 26 6.771 8.762 -3.461 1.00 0.00 N ATOM 398 CA ASP A 26 5.976 8.339 -4.612 1.00 0.00 C ATOM 399 C ASP A 26 4.586 8.980 -4.594 1.00 0.00 C ATOM 400 O ASP A 26 4.252 9.775 -5.472 1.00 0.00 O ATOM 401 CB ASP A 26 5.852 6.813 -4.646 1.00 0.00 C ATOM 402 CG ASP A 26 5.658 6.283 -6.055 1.00 0.00 C ATOM 403 OD1 ASP A 26 4.505 6.290 -6.536 1.00 0.00 O ATOM 404 OD2 ASP A 26 6.657 5.863 -6.675 1.00 0.00 O ATOM 0 HA ASP A 26 6.492 8.673 -5.512 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.748 6.368 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.011 6.505 -4.025 1.00 0.00 H new ATOM 409 N SER A 27 3.784 8.627 -3.590 1.00 0.00 N ATOM 410 CA SER A 27 2.430 9.168 -3.458 1.00 0.00 C ATOM 411 C SER A 27 2.106 9.467 -1.997 1.00 0.00 C ATOM 412 O SER A 27 2.861 9.099 -1.096 1.00 0.00 O ATOM 413 CB SER A 27 1.404 8.187 -4.025 1.00 0.00 C ATOM 414 OG SER A 27 0.177 8.838 -4.309 1.00 0.00 O ATOM 0 H SER A 27 4.047 7.969 -2.856 1.00 0.00 H new ATOM 0 HA SER A 27 2.383 10.098 -4.024 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.796 7.731 -4.934 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.235 7.381 -3.312 1.00 0.00 H new ATOM 0 HG SER A 27 0.328 9.549 -4.966 1.00 0.00 H new ATOM 420 N LEU A 28 0.975 10.137 -1.767 1.00 0.00 N ATOM 421 CA LEU A 28 0.555 10.480 -0.411 1.00 0.00 C ATOM 422 C LEU A 28 -0.967 10.427 -0.268 1.00 0.00 C ATOM 423 O LEU A 28 -1.505 9.496 0.330 1.00 0.00 O ATOM 424 CB LEU A 28 1.069 11.873 -0.028 1.00 0.00 C ATOM 425 CG LEU A 28 2.588 11.993 0.127 1.00 0.00 C ATOM 426 CD1 LEU A 28 3.027 13.442 -0.025 1.00 0.00 C ATOM 427 CD2 LEU A 28 3.036 11.437 1.471 1.00 0.00 C ATOM 0 H LEU A 28 0.338 10.451 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 28 0.985 9.741 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.741 12.584 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.600 12.169 0.911 1.00 0.00 H new ATOM 0 HG LEU A 28 3.060 11.406 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.109 13.508 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.742 13.807 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.544 14.051 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.118 11.532 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.555 11.995 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.757 10.386 1.541 1.00 0.00 H new ATOM 439 N ASN A 29 -1.653 11.429 -0.813 1.00 0.00 N ATOM 440 CA ASN A 29 -3.113 11.494 -0.744 1.00 0.00 C ATOM 441 C ASN A 29 -3.755 10.799 -1.943 1.00 0.00 C ATOM 442 O ASN A 29 -4.829 10.209 -1.823 1.00 0.00 O ATOM 443 CB ASN A 29 -3.586 12.949 -0.663 1.00 0.00 C ATOM 444 CG ASN A 29 -4.801 13.114 0.232 1.00 0.00 C ATOM 445 OD1 ASN A 29 -5.833 13.632 -0.193 1.00 0.00 O ATOM 446 ND2 ASN A 29 -4.684 12.674 1.481 1.00 0.00 N ATOM 0 H ASN A 29 -1.221 12.209 -1.308 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.425 10.972 0.160 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.774 13.572 -0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.825 13.307 -1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.468 12.760 2.128 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.810 12.251 1.793 1.00 0.00 H new ATOM 453 N ASP A 30 -3.094 10.880 -3.098 1.00 0.00 N ATOM 454 CA ASP A 30 -3.600 10.263 -4.324 1.00 0.00 C ATOM 455 C ASP A 30 -3.934 8.787 -4.114 1.00 0.00 C ATOM 456 O ASP A 30 -4.886 8.271 -4.701 1.00 0.00 O ATOM 457 CB ASP A 30 -2.578 10.401 -5.449 1.00 0.00 C ATOM 458 CG ASP A 30 -3.210 10.270 -6.820 1.00 0.00 C ATOM 459 OD1 ASP A 30 -3.316 9.130 -7.320 1.00 0.00 O ATOM 460 OD2 ASP A 30 -3.599 11.308 -7.396 1.00 0.00 O ATOM 0 H ASP A 30 -2.205 11.368 -3.210 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.517 10.785 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.083 11.369 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.808 9.639 -5.332 1.00 0.00 H new ATOM 465 N ILE A 31 -3.145 8.113 -3.276 1.00 0.00 N ATOM 466 CA ILE A 31 -3.365 6.691 -2.998 1.00 0.00 C ATOM 467 C ILE A 31 -4.722 6.448 -2.345 1.00 0.00 C ATOM 468 O ILE A 31 -5.316 5.390 -2.528 1.00 0.00 O ATOM 469 CB ILE A 31 -2.270 6.092 -2.094 1.00 0.00 C ATOM 470 CG1 ILE A 31 -2.167 6.879 -0.782 1.00 0.00 C ATOM 471 CG2 ILE A 31 -0.943 6.068 -2.832 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.837 6.730 -0.071 1.00 0.00 C ATOM 0 H ILE A 31 -2.354 8.524 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.331 6.195 -3.968 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.537 5.066 -1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.339 7.935 -0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.963 6.553 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.175 5.643 -2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.038 5.459 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.663 7.084 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.847 7.318 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.670 5.681 0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.036 7.084 -0.720 1.00 0.00 H new ATOM 484 N ASP A 32 -5.211 7.432 -1.594 1.00 0.00 N ATOM 485 CA ASP A 32 -6.503 7.317 -0.929 1.00 0.00 C ATOM 486 C ASP A 32 -7.610 7.005 -1.936 1.00 0.00 C ATOM 487 O ASP A 32 -8.598 6.349 -1.604 1.00 0.00 O ATOM 488 CB ASP A 32 -6.827 8.607 -0.173 1.00 0.00 C ATOM 489 CG ASP A 32 -7.925 8.415 0.853 1.00 0.00 C ATOM 490 OD1 ASP A 32 -9.112 8.520 0.479 1.00 0.00 O ATOM 491 OD2 ASP A 32 -7.599 8.158 2.030 1.00 0.00 O ATOM 0 H ASP A 32 -4.731 8.317 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.446 6.494 -0.217 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.927 8.969 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.129 9.376 -0.884 1.00 0.00 H new ATOM 496 N GLN A 33 -7.432 7.478 -3.170 1.00 0.00 N ATOM 497 CA GLN A 33 -8.409 7.248 -4.227 1.00 0.00 C ATOM 498 C GLN A 33 -8.213 5.875 -4.870 1.00 0.00 C ATOM 499 O GLN A 33 -9.159 5.090 -4.964 1.00 0.00 O ATOM 500 CB GLN A 33 -8.315 8.350 -5.284 1.00 0.00 C ATOM 501 CG GLN A 33 -9.366 8.243 -6.376 1.00 0.00 C ATOM 502 CD GLN A 33 -9.119 9.206 -7.520 1.00 0.00 C ATOM 503 OE1 GLN A 33 -8.919 8.793 -8.661 1.00 0.00 O ATOM 504 NE2 GLN A 33 -9.129 10.501 -7.220 1.00 0.00 N ATOM 0 H GLN A 33 -6.619 8.022 -3.459 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.403 7.271 -3.780 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.410 9.319 -4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.326 8.319 -5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.382 7.223 -6.761 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.350 8.437 -5.949 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.299 10.801 -6.260 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.967 11.195 -7.950 1.00 0.00 H new ATOM 513 N LEU A 34 -6.984 5.582 -5.294 1.00 0.00 N ATOM 514 CA LEU A 34 -6.677 4.292 -5.911 1.00 0.00 C ATOM 515 C LEU A 34 -6.814 3.158 -4.895 1.00 0.00 C ATOM 516 O LEU A 34 -7.055 2.006 -5.265 1.00 0.00 O ATOM 517 CB LEU A 34 -5.267 4.300 -6.513 1.00 0.00 C ATOM 518 CG LEU A 34 -4.114 4.332 -5.504 1.00 0.00 C ATOM 519 CD1 LEU A 34 -3.713 2.924 -5.091 1.00 0.00 C ATOM 520 CD2 LEU A 34 -2.921 5.075 -6.090 1.00 0.00 C ATOM 0 H LEU A 34 -6.189 6.217 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.395 4.124 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.154 3.414 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.176 5.166 -7.168 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.454 4.861 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.893 2.975 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.565 2.423 -4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.393 2.364 -5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.109 5.090 -5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.587 4.570 -6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.212 6.098 -6.331 1.00 0.00 H new ATOM 532 N ALA A 35 -6.669 3.496 -3.616 1.00 0.00 N ATOM 533 CA ALA A 35 -6.787 2.516 -2.539 1.00 0.00 C ATOM 534 C ALA A 35 -8.237 2.371 -2.077 1.00 0.00 C ATOM 535 O ALA A 35 -8.577 1.406 -1.396 1.00 0.00 O ATOM 536 CB ALA A 35 -5.896 2.892 -1.366 1.00 0.00 C ATOM 0 H ALA A 35 -6.469 4.445 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.458 1.554 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.001 2.148 -0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.857 2.928 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.190 3.870 -0.984 1.00 0.00 H new ATOM 542 N ARG A 36 -9.091 3.326 -2.461 1.00 0.00 N ATOM 543 CA ARG A 36 -10.507 3.287 -2.094 1.00 0.00 C ATOM 544 C ARG A 36 -11.146 1.985 -2.581 1.00 0.00 C ATOM 545 O ARG A 36 -12.025 1.428 -1.922 1.00 0.00 O ATOM 546 CB ARG A 36 -11.241 4.491 -2.691 1.00 0.00 C ATOM 547 CG ARG A 36 -12.303 5.076 -1.775 1.00 0.00 C ATOM 548 CD ARG A 36 -12.683 6.487 -2.196 1.00 0.00 C ATOM 549 NE ARG A 36 -11.947 7.507 -1.446 1.00 0.00 N ATOM 550 CZ ARG A 36 -11.849 8.783 -1.824 1.00 0.00 C ATOM 551 NH1 ARG A 36 -12.427 9.201 -2.946 1.00 0.00 N ATOM 552 NH2 ARG A 36 -11.165 9.644 -1.079 1.00 0.00 N ATOM 0 H ARG A 36 -8.825 4.133 -3.025 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.587 3.330 -1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.513 5.266 -2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.708 4.192 -3.629 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.188 4.440 -1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.935 5.088 -0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.488 6.611 -3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.753 6.632 -2.049 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.482 7.225 -0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.950 8.545 -3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.347 10.178 -3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.715 9.330 -0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.089 10.620 -1.367 1.00 0.00 H new ATOM 566 N LEU A 37 -10.680 1.501 -3.734 1.00 0.00 N ATOM 567 CA LEU A 37 -11.185 0.262 -4.313 1.00 0.00 C ATOM 568 C LEU A 37 -10.620 -0.949 -3.572 1.00 0.00 C ATOM 569 O LEU A 37 -11.366 -1.838 -3.157 1.00 0.00 O ATOM 570 CB LEU A 37 -10.808 0.178 -5.794 1.00 0.00 C ATOM 571 CG LEU A 37 -11.895 0.632 -6.772 1.00 0.00 C ATOM 572 CD1 LEU A 37 -13.131 -0.247 -6.646 1.00 0.00 C ATOM 573 CD2 LEU A 37 -12.244 2.095 -6.536 1.00 0.00 C ATOM 0 H LEU A 37 -9.950 1.953 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.271 0.259 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.917 0.783 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.541 -0.853 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.511 0.531 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.892 0.092 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.866 -1.281 -6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.521 -0.183 -5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.018 2.402 -7.239 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.608 2.222 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.356 2.709 -6.683 1.00 0.00 H new ATOM 585 N ILE A 38 -9.297 -0.970 -3.403 1.00 0.00 N ATOM 586 CA ILE A 38 -8.625 -2.064 -2.705 1.00 0.00 C ATOM 587 C ILE A 38 -9.014 -2.098 -1.223 1.00 0.00 C ATOM 588 O ILE A 38 -8.862 -3.122 -0.559 1.00 0.00 O ATOM 589 CB ILE A 38 -7.085 -1.962 -2.856 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.656 -2.471 -4.235 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.367 -2.741 -1.760 1.00 0.00 C ATOM 592 CD1 ILE A 38 -7.315 -1.745 -5.388 1.00 0.00 C ATOM 0 H ILE A 38 -8.670 -0.240 -3.741 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.954 -2.996 -3.166 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.806 -0.913 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.574 -2.373 -4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.887 -3.534 -4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.289 -2.649 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.646 -2.340 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.651 -3.792 -1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.961 -2.162 -6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.397 -1.864 -5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.063 -0.685 -5.342 1.00 0.00 H new ATOM 604 N ARG A 39 -9.542 -0.981 -0.718 1.00 0.00 N ATOM 605 CA ARG A 39 -9.978 -0.892 0.670 1.00 0.00 C ATOM 606 C ARG A 39 -11.307 -1.623 0.853 1.00 0.00 C ATOM 607 O ARG A 39 -11.602 -2.131 1.934 1.00 0.00 O ATOM 608 CB ARG A 39 -10.130 0.574 1.085 1.00 0.00 C ATOM 609 CG ARG A 39 -10.437 0.763 2.560 1.00 0.00 C ATOM 610 CD ARG A 39 -10.363 2.226 2.968 1.00 0.00 C ATOM 611 NE ARG A 39 -11.513 2.632 3.775 1.00 0.00 N ATOM 612 CZ ARG A 39 -11.776 2.160 4.997 1.00 0.00 C ATOM 613 NH1 ARG A 39 -10.957 1.282 5.575 1.00 0.00 N ATOM 614 NH2 ARG A 39 -12.858 2.575 5.649 1.00 0.00 N ATOM 0 H ARG A 39 -9.677 -0.124 -1.255 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.224 -1.362 1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.211 1.108 0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.927 1.028 0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.432 0.375 2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.732 0.183 3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.446 2.398 3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.310 2.849 2.075 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.155 3.319 3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.121 0.965 5.084 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.166 0.927 6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.486 3.253 5.216 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.060 2.216 6.582 1.00 0.00 H new ATOM 628 N ALA A 40 -12.103 -1.669 -0.220 1.00 0.00 N ATOM 629 CA ALA A 40 -13.399 -2.334 -0.188 1.00 0.00 C ATOM 630 C ALA A 40 -13.294 -3.824 -0.549 1.00 0.00 C ATOM 631 O ALA A 40 -14.309 -4.522 -0.601 1.00 0.00 O ATOM 632 CB ALA A 40 -14.371 -1.634 -1.129 1.00 0.00 C ATOM 0 H ALA A 40 -11.867 -1.251 -1.120 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.773 -2.271 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.336 -2.139 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.494 -0.596 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.979 -1.665 -2.146 1.00 0.00 H new ATOM 638 N ASN A 41 -12.074 -4.308 -0.807 1.00 0.00 N ATOM 639 CA ASN A 41 -11.867 -5.713 -1.172 1.00 0.00 C ATOM 640 C ASN A 41 -12.230 -6.661 -0.028 1.00 0.00 C ATOM 641 O ASN A 41 -12.626 -7.803 -0.262 1.00 0.00 O ATOM 642 CB ASN A 41 -10.411 -5.944 -1.602 1.00 0.00 C ATOM 643 CG ASN A 41 -9.423 -5.923 -0.444 1.00 0.00 C ATOM 644 OD1 ASN A 41 -9.676 -5.323 0.600 1.00 0.00 O ATOM 645 ND2 ASN A 41 -8.280 -6.573 -0.631 1.00 0.00 N ATOM 0 H ASN A 41 -11.220 -3.751 -0.770 1.00 0.00 H new ATOM 0 HA ASN A 41 -12.531 -5.932 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.340 -6.905 -2.112 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.128 -5.178 -2.324 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.575 -6.587 0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.108 -7.059 -1.511 1.00 0.00 H new ATOM 652 N GLY A 42 -12.081 -6.185 1.205 1.00 0.00 N ATOM 653 CA GLY A 42 -12.381 -6.997 2.368 1.00 0.00 C ATOM 654 C GLY A 42 -11.331 -6.855 3.459 1.00 0.00 C ATOM 655 O GLY A 42 -11.602 -7.142 4.627 1.00 0.00 O ATOM 0 H GLY A 42 -11.755 -5.243 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.355 -6.712 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.452 -8.043 2.069 1.00 0.00 H new ATOM 659 N GLY A 43 -10.131 -6.409 3.078 1.00 0.00 N ATOM 660 CA GLY A 43 -9.058 -6.232 4.042 1.00 0.00 C ATOM 661 C GLY A 43 -9.183 -4.928 4.807 1.00 0.00 C ATOM 662 O GLY A 43 -10.250 -4.618 5.339 1.00 0.00 O ATOM 0 H GLY A 43 -9.886 -6.168 2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.062 -7.065 4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.099 -6.257 3.524 1.00 0.00 H new ATOM 666 N GLU A 44 -8.094 -4.160 4.869 1.00 0.00 N ATOM 667 CA GLU A 44 -8.106 -2.887 5.583 1.00 0.00 C ATOM 668 C GLU A 44 -6.903 -2.033 5.204 1.00 0.00 C ATOM 669 O GLU A 44 -5.762 -2.444 5.394 1.00 0.00 O ATOM 670 CB GLU A 44 -8.118 -3.128 7.098 1.00 0.00 C ATOM 671 CG GLU A 44 -6.998 -4.039 7.584 1.00 0.00 C ATOM 672 CD GLU A 44 -7.478 -5.445 7.894 1.00 0.00 C ATOM 673 OE1 GLU A 44 -7.995 -5.664 9.009 1.00 0.00 O ATOM 674 OE2 GLU A 44 -7.330 -6.328 7.022 1.00 0.00 O ATOM 0 H GLU A 44 -7.201 -4.396 4.437 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.011 -2.350 5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.041 -2.169 7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.076 -3.564 7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.218 -4.085 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.547 -3.608 8.478 1.00 0.00 H new ATOM 681 N VAL A 45 -7.165 -0.841 4.672 1.00 0.00 N ATOM 682 CA VAL A 45 -6.094 0.068 4.273 1.00 0.00 C ATOM 683 C VAL A 45 -6.413 1.506 4.677 1.00 0.00 C ATOM 684 O VAL A 45 -7.418 2.079 4.251 1.00 0.00 O ATOM 685 CB VAL A 45 -5.816 -0.007 2.752 1.00 0.00 C ATOM 686 CG1 VAL A 45 -7.047 0.384 1.949 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.626 0.863 2.377 1.00 0.00 C ATOM 0 H VAL A 45 -8.106 -0.483 4.508 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.194 -0.251 4.798 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.573 -1.041 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.822 0.322 0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.867 -0.294 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.336 1.405 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.449 0.795 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.834 1.899 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.741 0.520 2.913 1.00 0.00 H new ATOM 697 N LEU A 46 -5.546 2.076 5.506 1.00 0.00 N ATOM 698 CA LEU A 46 -5.715 3.443 5.983 1.00 0.00 C ATOM 699 C LEU A 46 -4.608 4.333 5.422 1.00 0.00 C ATOM 700 O LEU A 46 -3.440 4.171 5.769 1.00 0.00 O ATOM 701 CB LEU A 46 -5.711 3.467 7.521 1.00 0.00 C ATOM 702 CG LEU A 46 -5.146 4.737 8.167 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.974 5.956 7.777 1.00 0.00 C ATOM 704 CD2 LEU A 46 -5.091 4.591 9.683 1.00 0.00 C ATOM 0 H LEU A 46 -4.713 1.608 5.864 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.674 3.829 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.734 3.329 7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.134 2.613 7.877 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.130 4.882 7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.555 6.846 8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.958 6.076 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.002 5.819 8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.687 5.503 10.122 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.096 4.417 10.068 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.451 3.748 9.944 1.00 0.00 H new ATOM 716 N ASP A 47 -4.987 5.258 4.541 1.00 0.00 N ATOM 717 CA ASP A 47 -4.026 6.167 3.916 1.00 0.00 C ATOM 718 C ASP A 47 -3.776 7.397 4.788 1.00 0.00 C ATOM 719 O ASP A 47 -4.659 8.240 4.955 1.00 0.00 O ATOM 720 CB ASP A 47 -4.527 6.599 2.534 1.00 0.00 C ATOM 721 CG ASP A 47 -4.990 5.426 1.690 1.00 0.00 C ATOM 722 OD1 ASP A 47 -4.152 4.849 0.966 1.00 0.00 O ATOM 723 OD2 ASP A 47 -6.189 5.081 1.757 1.00 0.00 O ATOM 0 H ASP A 47 -5.953 5.398 4.244 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.083 5.632 3.806 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.350 7.303 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.729 7.126 2.011 1.00 0.00 H new ATOM 728 N SER A 48 -2.567 7.491 5.341 1.00 0.00 N ATOM 729 CA SER A 48 -2.199 8.619 6.194 1.00 0.00 C ATOM 730 C SER A 48 -0.819 9.158 5.830 1.00 0.00 C ATOM 731 O SER A 48 0.146 8.398 5.727 1.00 0.00 O ATOM 732 CB SER A 48 -2.218 8.205 7.668 1.00 0.00 C ATOM 733 OG SER A 48 -3.408 7.506 7.989 1.00 0.00 O ATOM 0 H SER A 48 -1.827 6.800 5.213 1.00 0.00 H new ATOM 0 HA SER A 48 -2.933 9.409 6.033 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.354 7.576 7.883 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.132 9.090 8.298 1.00 0.00 H new ATOM 0 HG SER A 48 -3.393 7.252 8.935 1.00 0.00 H new ATOM 739 N LYS A 49 -0.731 10.475 5.647 1.00 0.00 N ATOM 740 CA LYS A 49 0.534 11.119 5.305 1.00 0.00 C ATOM 741 C LYS A 49 1.472 11.131 6.511 1.00 0.00 C ATOM 742 O LYS A 49 1.018 11.175 7.655 1.00 0.00 O ATOM 743 CB LYS A 49 0.292 12.552 4.818 1.00 0.00 C ATOM 744 CG LYS A 49 0.279 12.690 3.301 1.00 0.00 C ATOM 745 CD LYS A 49 -0.903 13.520 2.822 1.00 0.00 C ATOM 746 CE LYS A 49 -0.570 15.005 2.797 1.00 0.00 C ATOM 747 NZ LYS A 49 -1.630 15.830 3.448 1.00 0.00 N ATOM 0 H LYS A 49 -1.521 11.115 5.730 1.00 0.00 H new ATOM 0 HA LYS A 49 1.001 10.548 4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.660 12.905 5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.067 13.201 5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.208 13.154 2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.237 11.700 2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.196 13.195 1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.758 13.349 3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.380 15.171 3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.442 15.330 1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.362 16.834 3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.532 15.692 2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.736 15.539 4.441 1.00 0.00 H new ATOM 761 N PRO A 50 2.798 11.086 6.272 1.00 0.00 N ATOM 762 CA PRO A 50 3.801 11.089 7.346 1.00 0.00 C ATOM 763 C PRO A 50 3.622 12.267 8.305 1.00 0.00 C ATOM 764 O PRO A 50 4.000 13.397 7.992 1.00 0.00 O ATOM 765 CB PRO A 50 5.133 11.202 6.598 1.00 0.00 C ATOM 766 CG PRO A 50 4.856 10.685 5.229 1.00 0.00 C ATOM 767 CD PRO A 50 3.422 11.026 4.935 1.00 0.00 C ATOM 0 HA PRO A 50 3.727 10.199 7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.481 12.235 6.566 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.912 10.619 7.089 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.523 11.142 4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.018 9.608 5.179 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.336 11.977 4.409 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.951 10.270 4.306 1.00 0.00 H new ATOM 775 N ARG A 51 3.038 11.993 9.473 1.00 0.00 N ATOM 776 CA ARG A 51 2.805 13.029 10.477 1.00 0.00 C ATOM 777 C ARG A 51 3.880 12.993 11.559 1.00 0.00 C ATOM 778 O ARG A 51 4.735 13.877 11.622 1.00 0.00 O ATOM 779 CB ARG A 51 1.419 12.859 11.111 1.00 0.00 C ATOM 780 CG ARG A 51 0.296 13.479 10.298 1.00 0.00 C ATOM 781 CD ARG A 51 -0.106 14.840 10.845 1.00 0.00 C ATOM 782 NE ARG A 51 -1.235 14.753 11.773 1.00 0.00 N ATOM 783 CZ ARG A 51 -1.558 15.707 12.651 1.00 0.00 C ATOM 784 NH1 ARG A 51 -0.842 16.826 12.725 1.00 0.00 N ATOM 785 NH2 ARG A 51 -2.600 15.542 13.457 1.00 0.00 N ATOM 0 H ARG A 51 2.719 11.063 9.745 1.00 0.00 H new ATOM 0 HA ARG A 51 2.851 13.997 9.977 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.217 11.796 11.242 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.426 13.307 12.105 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.612 13.582 9.260 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.568 12.814 10.304 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.746 15.291 11.354 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.368 15.499 10.017 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.811 13.912 11.748 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.040 16.960 12.109 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.095 17.550 13.398 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.154 14.687 13.406 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.847 16.270 14.127 1.00 0.00 H new ATOM 799 N GLU A 52 3.834 11.963 12.402 1.00 0.00 N ATOM 800 CA GLU A 52 4.811 11.814 13.473 1.00 0.00 C ATOM 801 C GLU A 52 6.016 11.023 12.974 1.00 0.00 C ATOM 802 O GLU A 52 5.875 9.899 12.491 1.00 0.00 O ATOM 803 CB GLU A 52 4.182 11.103 14.677 1.00 0.00 C ATOM 804 CG GLU A 52 4.204 11.924 15.959 1.00 0.00 C ATOM 805 CD GLU A 52 5.118 11.332 17.015 1.00 0.00 C ATOM 806 OE1 GLU A 52 4.700 10.370 17.691 1.00 0.00 O ATOM 807 OE2 GLU A 52 6.254 11.830 17.163 1.00 0.00 O ATOM 0 H GLU A 52 3.133 11.223 12.363 1.00 0.00 H new ATOM 0 HA GLU A 52 5.139 12.806 13.785 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.149 10.849 14.438 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.710 10.165 14.849 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.529 12.939 15.730 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.192 11.995 16.358 1.00 0.00 H new ATOM 814 N SER A 53 7.197 11.621 13.087 1.00 0.00 N ATOM 815 CA SER A 53 8.422 10.971 12.639 1.00 0.00 C ATOM 816 C SER A 53 9.120 10.264 13.802 1.00 0.00 C ATOM 817 O SER A 53 9.854 10.884 14.574 1.00 0.00 O ATOM 818 CB SER A 53 9.354 11.998 11.987 1.00 0.00 C ATOM 819 OG SER A 53 9.815 12.951 12.931 1.00 0.00 O ATOM 0 H SER A 53 7.331 12.551 13.483 1.00 0.00 H new ATOM 0 HA SER A 53 8.163 10.216 11.897 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.206 11.486 11.539 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.828 12.508 11.180 1.00 0.00 H new ATOM 0 HG SER A 53 9.951 12.514 13.798 1.00 0.00 H new ATOM 825 N LYS A 54 8.873 8.961 13.922 1.00 0.00 N ATOM 826 CA LYS A 54 9.465 8.155 14.988 1.00 0.00 C ATOM 827 C LYS A 54 9.988 6.819 14.456 1.00 0.00 C ATOM 828 O LYS A 54 10.129 5.854 15.212 1.00 0.00 O ATOM 829 CB LYS A 54 8.423 7.907 16.083 1.00 0.00 C ATOM 830 CG LYS A 54 7.229 7.084 15.614 1.00 0.00 C ATOM 831 CD LYS A 54 6.325 6.696 16.773 1.00 0.00 C ATOM 832 CE LYS A 54 4.949 7.327 16.638 1.00 0.00 C ATOM 833 NZ LYS A 54 4.181 7.271 17.913 1.00 0.00 N ATOM 0 H LYS A 54 8.264 8.439 13.291 1.00 0.00 H new ATOM 0 HA LYS A 54 10.311 8.705 15.400 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.901 7.395 16.918 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.067 8.866 16.458 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.658 7.655 14.882 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.582 6.184 15.111 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.227 5.611 16.813 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.780 7.010 17.712 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.056 8.366 16.325 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.390 6.814 15.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.239 6.869 17.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.688 6.674 18.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.080 8.231 18.300 1.00 0.00 H new ATOM 847 N GLU A 55 10.274 6.769 13.154 1.00 0.00 N ATOM 848 CA GLU A 55 10.777 5.554 12.511 1.00 0.00 C ATOM 849 C GLU A 55 9.819 4.369 12.708 1.00 0.00 C ATOM 850 O GLU A 55 10.229 3.211 12.621 1.00 0.00 O ATOM 851 CB GLU A 55 12.169 5.202 13.048 1.00 0.00 C ATOM 852 CG GLU A 55 13.021 4.411 12.063 1.00 0.00 C ATOM 853 CD GLU A 55 14.383 4.022 12.617 1.00 0.00 C ATOM 854 OE1 GLU A 55 14.509 3.873 13.853 1.00 0.00 O ATOM 855 OE2 GLU A 55 15.323 3.863 11.812 1.00 0.00 O ATOM 0 H GLU A 55 10.165 7.561 12.521 1.00 0.00 H new ATOM 0 HA GLU A 55 10.846 5.753 11.442 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.691 6.122 13.310 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.060 4.625 13.966 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.484 3.508 11.773 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.161 5.003 11.158 1.00 0.00 H new ATOM 862 N ASN A 56 8.541 4.663 12.959 1.00 0.00 N ATOM 863 CA ASN A 56 7.538 3.615 13.152 1.00 0.00 C ATOM 864 C ASN A 56 6.353 3.808 12.203 1.00 0.00 C ATOM 865 O ASN A 56 5.232 3.390 12.504 1.00 0.00 O ATOM 866 CB ASN A 56 7.042 3.595 14.603 1.00 0.00 C ATOM 867 CG ASN A 56 8.169 3.535 15.620 1.00 0.00 C ATOM 868 OD1 ASN A 56 8.115 4.196 16.655 1.00 0.00 O ATOM 869 ND2 ASN A 56 9.198 2.741 15.336 1.00 0.00 N ATOM 0 H ASN A 56 8.178 5.613 13.033 1.00 0.00 H new ATOM 0 HA ASN A 56 8.013 2.660 12.928 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.442 4.486 14.787 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.387 2.735 14.745 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.979 2.665 15.988 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.206 2.208 14.466 1.00 0.00 H new ATOM 876 N VAL A 57 6.612 4.435 11.055 1.00 0.00 N ATOM 877 CA VAL A 57 5.576 4.671 10.059 1.00 0.00 C ATOM 878 C VAL A 57 5.991 4.095 8.707 1.00 0.00 C ATOM 879 O VAL A 57 6.960 4.550 8.097 1.00 0.00 O ATOM 880 CB VAL A 57 5.255 6.179 9.903 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.317 6.638 11.009 1.00 0.00 C ATOM 882 CG2 VAL A 57 6.528 7.017 9.900 1.00 0.00 C ATOM 0 H VAL A 57 7.533 4.788 10.795 1.00 0.00 H new ATOM 0 HA VAL A 57 4.675 4.167 10.410 1.00 0.00 H new ATOM 0 HB VAL A 57 4.760 6.320 8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.101 7.699 10.886 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.388 6.070 10.957 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.789 6.474 11.978 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.270 8.070 9.789 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.062 6.871 10.839 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.164 6.710 9.070 1.00 0.00 H new ATOM 892 N PHE A 58 5.253 3.082 8.252 1.00 0.00 N ATOM 893 CA PHE A 58 5.540 2.433 6.975 1.00 0.00 C ATOM 894 C PHE A 58 4.270 1.853 6.357 1.00 0.00 C ATOM 895 O PHE A 58 3.268 1.652 7.043 1.00 0.00 O ATOM 896 CB PHE A 58 6.585 1.324 7.152 1.00 0.00 C ATOM 897 CG PHE A 58 6.381 0.475 8.380 1.00 0.00 C ATOM 898 CD1 PHE A 58 5.303 -0.395 8.470 1.00 0.00 C ATOM 899 CD2 PHE A 58 7.266 0.546 9.443 1.00 0.00 C ATOM 900 CE1 PHE A 58 5.115 -1.174 9.594 1.00 0.00 C ATOM 901 CE2 PHE A 58 7.083 -0.231 10.570 1.00 0.00 C ATOM 902 CZ PHE A 58 6.005 -1.093 10.647 1.00 0.00 C ATOM 0 H PHE A 58 4.452 2.694 8.750 1.00 0.00 H new ATOM 0 HA PHE A 58 5.940 3.191 6.302 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.569 0.681 6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.575 1.777 7.197 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.603 -0.463 7.651 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.110 1.218 9.390 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.272 -1.847 9.650 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.782 -0.165 11.391 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.859 -1.701 11.528 1.00 0.00 H new ATOM 912 N ILE A 59 4.321 1.584 5.051 1.00 0.00 N ATOM 913 CA ILE A 59 3.186 1.021 4.327 1.00 0.00 C ATOM 914 C ILE A 59 3.372 -0.482 4.097 1.00 0.00 C ATOM 915 O ILE A 59 4.364 -0.910 3.506 1.00 0.00 O ATOM 916 CB ILE A 59 2.971 1.742 2.969 1.00 0.00 C ATOM 917 CG1 ILE A 59 1.922 1.013 2.118 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.283 1.867 2.208 1.00 0.00 C ATOM 919 CD1 ILE A 59 1.724 1.611 0.741 1.00 0.00 C ATOM 0 H ILE A 59 5.144 1.750 4.472 1.00 0.00 H new ATOM 0 HA ILE A 59 2.300 1.174 4.943 1.00 0.00 H new ATOM 0 HB ILE A 59 2.600 2.745 3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.217 -0.031 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.969 1.022 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.107 2.375 1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.994 2.442 2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.689 0.874 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.968 1.040 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.397 2.646 0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.664 1.577 0.191 1.00 0.00 H new ATOM 931 N VAL A 60 2.411 -1.279 4.574 1.00 0.00 N ATOM 932 CA VAL A 60 2.470 -2.732 4.427 1.00 0.00 C ATOM 933 C VAL A 60 1.628 -3.204 3.239 1.00 0.00 C ATOM 934 O VAL A 60 0.646 -2.559 2.864 1.00 0.00 O ATOM 935 CB VAL A 60 2.015 -3.467 5.719 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.443 -2.695 6.959 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.508 -3.700 5.733 1.00 0.00 C ATOM 0 H VAL A 60 1.584 -0.940 5.065 1.00 0.00 H new ATOM 0 HA VAL A 60 3.514 -2.984 4.243 1.00 0.00 H new ATOM 0 HB VAL A 60 2.503 -4.442 5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.114 -3.228 7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.529 -2.601 6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.993 -1.702 6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.228 -4.216 6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.009 -2.742 5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.226 -4.309 4.874 1.00 0.00 H new ATOM 947 N SER A 61 2.026 -4.332 2.653 1.00 0.00 N ATOM 948 CA SER A 61 1.320 -4.901 1.506 1.00 0.00 C ATOM 949 C SER A 61 0.447 -6.085 1.921 1.00 0.00 C ATOM 950 O SER A 61 0.632 -6.662 2.994 1.00 0.00 O ATOM 951 CB SER A 61 2.314 -5.343 0.426 1.00 0.00 C ATOM 952 OG SER A 61 2.196 -4.536 -0.734 1.00 0.00 O ATOM 0 H SER A 61 2.837 -4.872 2.955 1.00 0.00 H new ATOM 0 HA SER A 61 0.673 -4.123 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.330 -5.281 0.815 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.135 -6.387 0.167 1.00 0.00 H new ATOM 0 HG SER A 61 2.280 -5.097 -1.533 1.00 0.00 H new ATOM 958 N PRO A 62 -0.524 -6.462 1.065 1.00 0.00 N ATOM 959 CA PRO A 62 -1.435 -7.583 1.336 1.00 0.00 C ATOM 960 C PRO A 62 -0.704 -8.918 1.477 1.00 0.00 C ATOM 961 O PRO A 62 0.110 -9.280 0.626 1.00 0.00 O ATOM 962 CB PRO A 62 -2.358 -7.607 0.111 1.00 0.00 C ATOM 963 CG PRO A 62 -1.613 -6.872 -0.952 1.00 0.00 C ATOM 964 CD PRO A 62 -0.807 -5.829 -0.237 1.00 0.00 C ATOM 0 HA PRO A 62 -1.962 -7.449 2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.578 -8.629 -0.197 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.312 -7.127 0.327 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.968 -7.546 -1.516 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.299 -6.415 -1.666 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.109 -5.588 -0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.363 -4.899 -0.121 1.00 0.00 H new ATOM 972 N TYR A 63 -1.007 -9.642 2.559 1.00 0.00 N ATOM 973 CA TYR A 63 -0.392 -10.946 2.830 1.00 0.00 C ATOM 974 C TYR A 63 1.062 -10.817 3.306 1.00 0.00 C ATOM 975 O TYR A 63 1.749 -11.825 3.485 1.00 0.00 O ATOM 976 CB TYR A 63 -0.455 -11.830 1.582 1.00 0.00 C ATOM 977 CG TYR A 63 -1.213 -13.125 1.778 1.00 0.00 C ATOM 978 CD1 TYR A 63 -0.880 -14.003 2.802 1.00 0.00 C ATOM 979 CD2 TYR A 63 -2.264 -13.469 0.936 1.00 0.00 C ATOM 980 CE1 TYR A 63 -1.570 -15.186 2.981 1.00 0.00 C ATOM 981 CE2 TYR A 63 -2.959 -14.649 1.109 1.00 0.00 C ATOM 982 CZ TYR A 63 -2.610 -15.504 2.131 1.00 0.00 C ATOM 983 OH TYR A 63 -3.300 -16.683 2.305 1.00 0.00 O ATOM 0 H TYR A 63 -1.679 -9.345 3.266 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.961 -11.408 3.637 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.923 -11.267 0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.561 -12.061 1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.068 -13.756 3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.541 -12.802 0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.297 -15.858 3.781 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.773 -14.901 0.446 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.002 -16.755 1.625 1.00 0.00 H new ATOM 993 N ASN A 64 1.528 -9.585 3.519 1.00 0.00 N ATOM 994 CA ASN A 64 2.896 -9.356 3.979 1.00 0.00 C ATOM 995 C ASN A 64 3.020 -9.650 5.474 1.00 0.00 C ATOM 996 O ASN A 64 2.517 -8.897 6.310 1.00 0.00 O ATOM 997 CB ASN A 64 3.327 -7.915 3.686 1.00 0.00 C ATOM 998 CG ASN A 64 4.706 -7.835 3.060 1.00 0.00 C ATOM 999 OD1 ASN A 64 5.662 -7.387 3.693 1.00 0.00 O ATOM 1000 ND2 ASN A 64 4.818 -8.268 1.808 1.00 0.00 N ATOM 0 H ASN A 64 0.980 -8.736 3.381 1.00 0.00 H new ATOM 0 HA ASN A 64 3.555 -10.035 3.437 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.601 -7.451 3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 64 3.319 -7.342 4.613 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.722 -8.236 1.336 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.000 -8.632 1.319 1.00 0.00 H new ATOM 1007 N HIS A 65 3.690 -10.757 5.798 1.00 0.00 N ATOM 1008 CA HIS A 65 3.884 -11.164 7.188 1.00 0.00 C ATOM 1009 C HIS A 65 4.957 -10.316 7.866 1.00 0.00 C ATOM 1010 O HIS A 65 5.905 -9.866 7.220 1.00 0.00 O ATOM 1011 CB HIS A 65 4.273 -12.645 7.252 1.00 0.00 C ATOM 1012 CG HIS A 65 3.938 -13.305 8.554 1.00 0.00 C ATOM 1013 ND1 HIS A 65 2.954 -14.262 8.680 1.00 0.00 N ATOM 1014 CD2 HIS A 65 4.468 -13.148 9.791 1.00 0.00 C ATOM 1015 CE1 HIS A 65 2.892 -14.663 9.938 1.00 0.00 C ATOM 1016 NE2 HIS A 65 3.800 -14.002 10.631 1.00 0.00 N ATOM 0 H HIS A 65 4.108 -11.388 5.114 1.00 0.00 H new ATOM 0 HA HIS A 65 2.944 -11.013 7.719 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.769 -13.178 6.446 1.00 0.00 H new ATOM 0 HB3 HIS A 65 5.344 -12.737 7.074 1.00 0.00 H new ATOM 0 HD2 HIS A 65 5.268 -12.476 10.065 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.214 -15.405 10.332 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.976 -14.109 11.630 1.00 0.00 H new ATOM 1025 N THR A 66 4.795 -10.106 9.175 1.00 0.00 N ATOM 1026 CA THR A 66 5.739 -9.313 9.967 1.00 0.00 C ATOM 1027 C THR A 66 5.670 -7.840 9.577 1.00 0.00 C ATOM 1028 O THR A 66 6.264 -7.419 8.581 1.00 0.00 O ATOM 1029 CB THR A 66 7.175 -9.834 9.809 1.00 0.00 C ATOM 1030 OG1 THR A 66 7.186 -11.196 9.425 1.00 0.00 O ATOM 1031 CG2 THR A 66 7.996 -9.712 11.076 1.00 0.00 C ATOM 0 H THR A 66 4.012 -10.478 9.712 1.00 0.00 H new ATOM 0 HA THR A 66 5.453 -9.412 11.014 1.00 0.00 H new ATOM 0 HB THR A 66 7.620 -9.207 9.037 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.112 -11.502 9.330 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.000 -10.097 10.898 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.056 -8.664 11.371 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.523 -10.286 11.873 1.00 0.00 H new ATOM 1039 N ASN A 67 4.938 -7.061 10.371 1.00 0.00 N ATOM 1040 CA ASN A 67 4.781 -5.632 10.116 1.00 0.00 C ATOM 1041 C ASN A 67 6.044 -4.868 10.505 1.00 0.00 C ATOM 1042 O ASN A 67 6.133 -4.299 11.595 1.00 0.00 O ATOM 1043 CB ASN A 67 3.570 -5.081 10.879 1.00 0.00 C ATOM 1044 CG ASN A 67 2.270 -5.280 10.120 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.605 -4.314 9.745 1.00 0.00 O ATOM 1046 ND2 ASN A 67 1.900 -6.537 9.888 1.00 0.00 N ATOM 0 H ASN A 67 4.444 -7.397 11.198 1.00 0.00 H new ATOM 0 HA ASN A 67 4.614 -5.495 9.048 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.500 -5.573 11.849 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.717 -4.018 11.070 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.036 -6.729 9.382 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.481 -7.308 10.216 1.00 0.00 H new ATOM 1053 N LEU A 68 7.017 -4.862 9.597 1.00 0.00 N ATOM 1054 CA LEU A 68 8.285 -4.171 9.823 1.00 0.00 C ATOM 1055 C LEU A 68 8.747 -3.439 8.558 1.00 0.00 C ATOM 1056 O LEU A 68 8.789 -2.207 8.537 1.00 0.00 O ATOM 1057 CB LEU A 68 9.359 -5.158 10.299 1.00 0.00 C ATOM 1058 CG LEU A 68 9.473 -5.313 11.819 1.00 0.00 C ATOM 1059 CD1 LEU A 68 8.533 -6.404 12.321 1.00 0.00 C ATOM 1060 CD2 LEU A 68 10.908 -5.617 12.219 1.00 0.00 C ATOM 0 H LEU A 68 6.951 -5.330 8.693 1.00 0.00 H new ATOM 0 HA LEU A 68 8.129 -3.427 10.604 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.150 -6.136 9.865 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.325 -4.836 9.909 1.00 0.00 H new ATOM 0 HG LEU A 68 9.180 -4.371 12.282 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.629 -6.498 13.403 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.505 -6.143 12.070 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.792 -7.352 11.850 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.969 -5.724 13.302 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.229 -6.544 11.744 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.556 -4.801 11.898 1.00 0.00 H new ATOM 1072 N PRO A 69 9.098 -4.179 7.479 1.00 0.00 N ATOM 1073 CA PRO A 69 9.553 -3.573 6.215 1.00 0.00 C ATOM 1074 C PRO A 69 8.488 -2.679 5.572 1.00 0.00 C ATOM 1075 O PRO A 69 7.445 -2.413 6.169 1.00 0.00 O ATOM 1076 CB PRO A 69 9.861 -4.779 5.319 1.00 0.00 C ATOM 1077 CG PRO A 69 9.109 -5.915 5.922 1.00 0.00 C ATOM 1078 CD PRO A 69 9.087 -5.652 7.399 1.00 0.00 C ATOM 0 HA PRO A 69 10.410 -2.918 6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.544 -4.598 4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.931 -4.986 5.291 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.098 -5.972 5.520 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.594 -6.866 5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.199 -6.074 7.870 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.952 -6.089 7.899 1.00 0.00 H new ATOM 1086 N THR A 70 8.760 -2.212 4.353 1.00 0.00 N ATOM 1087 CA THR A 70 7.827 -1.340 3.639 1.00 0.00 C ATOM 1088 C THR A 70 7.627 -1.805 2.197 1.00 0.00 C ATOM 1089 O THR A 70 8.475 -2.493 1.635 1.00 0.00 O ATOM 1090 CB THR A 70 8.339 0.106 3.650 1.00 0.00 C ATOM 1091 OG1 THR A 70 8.908 0.437 4.906 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.260 1.124 3.360 1.00 0.00 C ATOM 0 H THR A 70 9.616 -2.422 3.841 1.00 0.00 H new ATOM 0 HA THR A 70 6.866 -1.388 4.151 1.00 0.00 H new ATOM 0 HB THR A 70 9.086 0.147 2.857 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.228 1.363 4.886 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.689 2.126 3.383 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.836 0.934 2.374 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.476 1.048 4.113 1.00 0.00 H new ATOM 1100 N VAL A 71 6.498 -1.425 1.608 1.00 0.00 N ATOM 1101 CA VAL A 71 6.178 -1.793 0.231 1.00 0.00 C ATOM 1102 C VAL A 71 5.724 -0.564 -0.559 1.00 0.00 C ATOM 1103 O VAL A 71 5.325 0.440 0.028 1.00 0.00 O ATOM 1104 CB VAL A 71 5.077 -2.872 0.186 1.00 0.00 C ATOM 1105 CG1 VAL A 71 4.889 -3.402 -1.227 1.00 0.00 C ATOM 1106 CG2 VAL A 71 5.400 -4.011 1.146 1.00 0.00 C ATOM 0 H VAL A 71 5.784 -0.858 2.066 1.00 0.00 H new ATOM 0 HA VAL A 71 7.082 -2.199 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 71 4.141 -2.410 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.107 -4.161 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.603 -2.584 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.823 -3.842 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.611 -4.761 1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.350 -4.465 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.470 -3.622 2.162 1.00 0.00 H new ATOM 1116 N THR A 72 5.795 -0.639 -1.889 1.00 0.00 N ATOM 1117 CA THR A 72 5.391 0.490 -2.735 1.00 0.00 C ATOM 1118 C THR A 72 3.877 0.703 -2.697 1.00 0.00 C ATOM 1119 O THR A 72 3.105 -0.259 -2.691 1.00 0.00 O ATOM 1120 CB THR A 72 5.835 0.285 -4.191 1.00 0.00 C ATOM 1121 OG1 THR A 72 5.982 -1.093 -4.498 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.138 0.983 -4.530 1.00 0.00 C ATOM 0 H THR A 72 6.124 -1.458 -2.401 1.00 0.00 H new ATOM 0 HA THR A 72 5.884 1.375 -2.333 1.00 0.00 H new ATOM 0 HB THR A 72 5.041 0.730 -4.790 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.784 -1.443 -4.057 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.391 0.795 -5.574 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.028 2.056 -4.371 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.933 0.600 -3.890 1.00 0.00 H new ATOM 1130 N PRO A 73 3.432 1.976 -2.692 1.00 0.00 N ATOM 1131 CA PRO A 73 2.004 2.327 -2.678 1.00 0.00 C ATOM 1132 C PRO A 73 1.337 2.050 -4.023 1.00 0.00 C ATOM 1133 O PRO A 73 0.171 1.655 -4.082 1.00 0.00 O ATOM 1134 CB PRO A 73 2.017 3.827 -2.396 1.00 0.00 C ATOM 1135 CG PRO A 73 3.306 4.294 -2.974 1.00 0.00 C ATOM 1136 CD PRO A 73 4.287 3.183 -2.718 1.00 0.00 C ATOM 0 HA PRO A 73 1.442 1.745 -1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.167 4.327 -2.861 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.962 4.032 -1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.208 4.493 -4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.633 5.222 -2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.042 3.124 -3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.816 3.322 -1.775 1.00 0.00 H new ATOM 1144 N THR A 74 2.099 2.253 -5.102 1.00 0.00 N ATOM 1145 CA THR A 74 1.604 2.020 -6.459 1.00 0.00 C ATOM 1146 C THR A 74 1.291 0.535 -6.694 1.00 0.00 C ATOM 1147 O THR A 74 0.678 0.183 -7.702 1.00 0.00 O ATOM 1148 CB THR A 74 2.620 2.515 -7.497 1.00 0.00 C ATOM 1149 OG1 THR A 74 3.944 2.404 -7.006 1.00 0.00 O ATOM 1150 CG2 THR A 74 2.402 3.956 -7.906 1.00 0.00 C ATOM 0 H THR A 74 3.064 2.579 -5.060 1.00 0.00 H new ATOM 0 HA THR A 74 0.678 2.584 -6.573 1.00 0.00 H new ATOM 0 HB THR A 74 2.471 1.877 -8.368 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.573 2.724 -7.686 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.153 4.243 -8.641 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.408 4.064 -8.341 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.487 4.600 -7.030 1.00 0.00 H new ATOM 1158 N TYR A 75 1.699 -0.326 -5.750 1.00 0.00 N ATOM 1159 CA TYR A 75 1.446 -1.765 -5.838 1.00 0.00 C ATOM 1160 C TYR A 75 -0.006 -2.037 -6.231 1.00 0.00 C ATOM 1161 O TYR A 75 -0.290 -2.966 -6.988 1.00 0.00 O ATOM 1162 CB TYR A 75 1.752 -2.429 -4.490 1.00 0.00 C ATOM 1163 CG TYR A 75 1.683 -3.940 -4.506 1.00 0.00 C ATOM 1164 CD1 TYR A 75 0.460 -4.604 -4.552 1.00 0.00 C ATOM 1165 CD2 TYR A 75 2.840 -4.706 -4.469 1.00 0.00 C ATOM 1166 CE1 TYR A 75 0.397 -5.983 -4.560 1.00 0.00 C ATOM 1167 CE2 TYR A 75 2.785 -6.086 -4.476 1.00 0.00 C ATOM 1168 CZ TYR A 75 1.560 -6.721 -4.522 1.00 0.00 C ATOM 1169 OH TYR A 75 1.502 -8.098 -4.529 1.00 0.00 O ATOM 0 H TYR A 75 2.209 -0.044 -4.913 1.00 0.00 H new ATOM 0 HA TYR A 75 2.096 -2.184 -6.606 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.749 -2.127 -4.168 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.049 -2.053 -3.746 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.455 -4.031 -4.582 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.801 -4.214 -4.434 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.560 -6.482 -4.596 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.696 -6.666 -4.446 1.00 0.00 H new ATOM 0 HH TYR A 75 2.411 -8.464 -4.500 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.920 -1.212 -5.718 1.00 0.00 N ATOM 1180 CA ILE A 76 -2.341 -1.357 -6.020 1.00 0.00 C ATOM 1181 C ILE A 76 -2.591 -1.263 -7.527 1.00 0.00 C ATOM 1182 O ILE A 76 -3.291 -2.099 -8.096 1.00 0.00 O ATOM 1183 CB ILE A 76 -3.191 -0.290 -5.297 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -3.091 -0.462 -3.778 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.642 -0.371 -5.751 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.952 0.508 -2.994 1.00 0.00 C ATOM 0 H ILE A 76 -0.700 -0.437 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.641 -2.342 -5.662 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.803 0.695 -5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.378 -1.481 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.051 -0.337 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.228 0.387 -5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.697 -0.200 -6.826 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.041 -1.359 -5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.828 0.324 -1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.650 1.530 -3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.998 0.368 -3.267 1.00 0.00 H new ATOM 1198 N LYS A 77 -2.003 -0.249 -8.167 1.00 0.00 N ATOM 1199 CA LYS A 77 -2.156 -0.061 -9.610 1.00 0.00 C ATOM 1200 C LYS A 77 -1.760 -1.331 -10.365 1.00 0.00 C ATOM 1201 O LYS A 77 -2.456 -1.758 -11.285 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.302 1.117 -10.093 1.00 0.00 C ATOM 1203 CG LYS A 77 -2.001 2.004 -11.111 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.229 3.291 -11.355 1.00 0.00 C ATOM 1205 CE LYS A 77 -1.779 4.054 -12.552 1.00 0.00 C ATOM 1206 NZ LYS A 77 -0.853 5.129 -13.002 1.00 0.00 N ATOM 0 H LYS A 77 -1.419 0.451 -7.710 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.205 0.156 -9.812 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.015 1.723 -9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.382 0.731 -10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.113 1.462 -12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.005 2.242 -10.759 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.279 3.921 -10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.177 3.059 -11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.956 3.360 -13.374 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.743 4.491 -12.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.266 5.623 -13.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.704 5.806 -12.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.059 4.710 -13.276 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.643 -1.934 -9.954 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.150 -3.162 -10.573 1.00 0.00 C ATOM 1222 C ALA A 78 -0.977 -4.371 -10.139 1.00 0.00 C ATOM 1223 O ALA A 78 -1.065 -5.359 -10.865 1.00 0.00 O ATOM 1224 CB ALA A 78 1.317 -3.376 -10.232 1.00 0.00 C ATOM 0 H ALA A 78 -0.061 -1.588 -9.191 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.249 -3.056 -11.653 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.669 -4.295 -10.701 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.903 -2.534 -10.600 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.432 -3.453 -9.151 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.591 -4.288 -8.960 1.00 0.00 N ATOM 1231 CA CYS A 79 -2.417 -5.378 -8.453 1.00 0.00 C ATOM 1232 C CYS A 79 -3.789 -5.364 -9.121 1.00 0.00 C ATOM 1233 O CYS A 79 -4.433 -6.403 -9.256 1.00 0.00 O ATOM 1234 CB CYS A 79 -2.573 -5.276 -6.936 1.00 0.00 C ATOM 1235 SG CYS A 79 -2.876 -6.860 -6.116 1.00 0.00 S ATOM 0 H CYS A 79 -1.531 -3.479 -8.341 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.920 -6.319 -8.690 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.671 -4.830 -6.518 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.397 -4.599 -6.711 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.992 -6.670 -4.835 1.00 0.00 H new ATOM 1241 N CYS A 80 -4.229 -4.177 -9.536 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.522 -4.023 -10.188 1.00 0.00 C ATOM 1243 C CYS A 80 -5.403 -4.191 -11.705 1.00 0.00 C ATOM 1244 O CYS A 80 -6.321 -4.700 -12.351 1.00 0.00 O ATOM 1245 CB CYS A 80 -6.116 -2.652 -9.862 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.823 -2.435 -10.416 1.00 0.00 S ATOM 0 H CYS A 80 -3.705 -3.308 -9.430 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.183 -4.803 -9.810 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.073 -2.497 -8.784 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.496 -1.881 -10.320 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.236 -1.246 -10.093 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.274 -3.753 -12.267 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.049 -3.849 -13.709 1.00 0.00 C ATOM 1254 C GLN A 81 -3.271 -5.111 -14.082 1.00 0.00 C ATOM 1255 O GLN A 81 -3.601 -5.778 -15.062 1.00 0.00 O ATOM 1256 CB GLN A 81 -3.322 -2.598 -14.227 1.00 0.00 C ATOM 1257 CG GLN A 81 -1.807 -2.640 -14.087 1.00 0.00 C ATOM 1258 CD GLN A 81 -1.160 -1.308 -14.418 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -1.318 -0.788 -15.522 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -0.427 -0.745 -13.461 1.00 0.00 N ATOM 0 H GLN A 81 -3.505 -3.330 -11.747 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.027 -3.913 -14.187 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.572 -2.458 -15.279 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.699 -1.727 -13.691 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.546 -2.924 -13.067 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.405 -3.410 -14.745 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.322 -1.210 -12.559 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.029 0.152 -13.629 1.00 0.00 H new ATOM 1269 N SER A 82 -2.235 -5.434 -13.305 1.00 0.00 N ATOM 1270 CA SER A 82 -1.420 -6.619 -13.580 1.00 0.00 C ATOM 1271 C SER A 82 -1.928 -7.849 -12.824 1.00 0.00 C ATOM 1272 O SER A 82 -1.614 -8.979 -13.200 1.00 0.00 O ATOM 1273 CB SER A 82 0.045 -6.359 -13.225 1.00 0.00 C ATOM 1274 OG SER A 82 0.880 -6.548 -14.354 1.00 0.00 O ATOM 0 H SER A 82 -1.943 -4.898 -12.488 1.00 0.00 H new ATOM 0 HA SER A 82 -1.501 -6.824 -14.647 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.158 -5.342 -12.851 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.354 -7.030 -12.423 1.00 0.00 H new ATOM 0 HG SER A 82 1.227 -5.682 -14.653 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.714 -7.627 -11.764 1.00 0.00 N ATOM 1281 CA ASN A 83 -3.265 -8.714 -10.963 1.00 0.00 C ATOM 1282 C ASN A 83 -2.162 -9.453 -10.197 1.00 0.00 C ATOM 1283 O ASN A 83 -1.992 -9.245 -8.995 1.00 0.00 O ATOM 1284 CB ASN A 83 -4.060 -9.683 -11.845 1.00 0.00 C ATOM 1285 CG ASN A 83 -5.141 -8.979 -12.646 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -4.865 -8.358 -13.673 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -6.383 -9.071 -12.182 1.00 0.00 N ATOM 0 H ASN A 83 -2.981 -6.696 -11.444 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.945 -8.281 -10.229 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.379 -10.192 -12.527 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.516 -10.450 -11.219 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.149 -8.618 -12.681 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.571 -9.595 -11.327 1.00 0.00 H new ATOM 1294 N SER A 84 -1.412 -10.310 -10.894 1.00 0.00 N ATOM 1295 CA SER A 84 -0.330 -11.064 -10.269 1.00 0.00 C ATOM 1296 C SER A 84 0.629 -11.615 -11.324 1.00 0.00 C ATOM 1297 O SER A 84 0.687 -12.823 -11.563 1.00 0.00 O ATOM 1298 CB SER A 84 -0.903 -12.204 -9.419 1.00 0.00 C ATOM 1299 OG SER A 84 -0.099 -12.446 -8.277 1.00 0.00 O ATOM 0 H SER A 84 -1.536 -10.497 -11.889 1.00 0.00 H new ATOM 0 HA SER A 84 0.230 -10.389 -9.621 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.917 -11.954 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.969 -13.111 -10.020 1.00 0.00 H new ATOM 0 HG SER A 84 -0.488 -13.176 -7.752 1.00 0.00 H new ATOM 1305 N LEU A 85 1.380 -10.713 -11.952 1.00 0.00 N ATOM 1306 CA LEU A 85 2.340 -11.091 -12.986 1.00 0.00 C ATOM 1307 C LEU A 85 3.756 -10.662 -12.603 1.00 0.00 C ATOM 1308 O LEU A 85 4.706 -11.430 -12.753 1.00 0.00 O ATOM 1309 CB LEU A 85 1.944 -10.460 -14.326 1.00 0.00 C ATOM 1310 CG LEU A 85 2.235 -11.309 -15.568 1.00 0.00 C ATOM 1311 CD1 LEU A 85 3.704 -11.703 -15.625 1.00 0.00 C ATOM 1312 CD2 LEU A 85 1.346 -12.546 -15.588 1.00 0.00 C ATOM 0 H LEU A 85 1.342 -9.712 -11.762 1.00 0.00 H new ATOM 0 HA LEU A 85 2.327 -12.177 -13.082 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.877 -10.238 -14.302 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.466 -9.508 -14.428 1.00 0.00 H new ATOM 0 HG LEU A 85 2.012 -10.709 -16.450 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.885 -12.305 -16.515 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.320 -10.805 -15.663 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.960 -12.282 -14.738 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.566 -13.138 -16.477 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.536 -13.145 -14.697 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.299 -12.242 -15.604 1.00 0.00 H new ATOM 1324 N LEU A 86 3.890 -9.429 -12.113 1.00 0.00 N ATOM 1325 CA LEU A 86 5.193 -8.898 -11.715 1.00 0.00 C ATOM 1326 C LEU A 86 5.265 -8.701 -10.202 1.00 0.00 C ATOM 1327 O LEU A 86 4.886 -7.650 -9.683 1.00 0.00 O ATOM 1328 CB LEU A 86 5.479 -7.569 -12.427 1.00 0.00 C ATOM 1329 CG LEU A 86 5.029 -7.495 -13.889 1.00 0.00 C ATOM 1330 CD1 LEU A 86 3.724 -6.722 -14.011 1.00 0.00 C ATOM 1331 CD2 LEU A 86 6.110 -6.856 -14.748 1.00 0.00 C ATOM 0 H LEU A 86 3.113 -8.781 -11.983 1.00 0.00 H new ATOM 0 HA LEU A 86 5.950 -9.625 -12.008 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.990 -6.768 -11.873 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.551 -7.377 -12.385 1.00 0.00 H new ATOM 0 HG LEU A 86 4.860 -8.511 -14.247 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.422 -6.681 -15.057 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.949 -7.221 -13.429 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.865 -5.709 -13.634 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.773 -6.812 -15.784 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.311 -5.847 -14.388 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.021 -7.451 -14.688 1.00 0.00 H new ATOM 1343 N ASN A 87 5.762 -9.718 -9.502 1.00 0.00 N ATOM 1344 CA ASN A 87 5.896 -9.659 -8.046 1.00 0.00 C ATOM 1345 C ASN A 87 7.168 -8.925 -7.639 1.00 0.00 C ATOM 1346 O ASN A 87 7.238 -8.356 -6.549 1.00 0.00 O ATOM 1347 CB ASN A 87 5.889 -11.069 -7.451 1.00 0.00 C ATOM 1348 CG ASN A 87 5.030 -11.169 -6.205 1.00 0.00 C ATOM 1349 OD1 ASN A 87 5.512 -10.601 -5.104 1.00 0.00 O flip ATOM 1350 ND2 ASN A 87 3.945 -11.749 -6.230 1.00 0.00 N flip ATOM 0 H ASN A 87 6.079 -10.594 -9.918 1.00 0.00 H new ATOM 0 HA ASN A 87 5.043 -9.105 -7.654 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.523 -11.773 -8.198 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.910 -11.363 -7.209 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.612 -12.171 -7.097 1.00 0.00 H new ATOM 0 HD22 ASN A 87 3.378 -11.807 -5.384 1.00 0.00 H new ATOM 1357 N MET A 88 8.169 -8.924 -8.523 1.00 0.00 N ATOM 1358 CA MET A 88 9.427 -8.235 -8.253 1.00 0.00 C ATOM 1359 C MET A 88 9.189 -6.735 -8.062 1.00 0.00 C ATOM 1360 O MET A 88 10.027 -6.032 -7.496 1.00 0.00 O ATOM 1361 CB MET A 88 10.420 -8.465 -9.396 1.00 0.00 C ATOM 1362 CG MET A 88 11.876 -8.346 -8.978 1.00 0.00 C ATOM 1363 SD MET A 88 13.015 -8.821 -10.295 1.00 0.00 S ATOM 1364 CE MET A 88 14.594 -8.655 -9.464 1.00 0.00 C ATOM 0 H MET A 88 8.130 -9.392 -9.428 1.00 0.00 H new ATOM 0 HA MET A 88 9.848 -8.643 -7.334 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.252 -9.457 -9.816 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.220 -7.745 -10.189 1.00 0.00 H new ATOM 0 HG2 MET A 88 12.081 -7.319 -8.678 1.00 0.00 H new ATOM 0 HG3 MET A 88 12.053 -8.975 -8.105 1.00 0.00 H new ATOM 0 HE1 MET A 88 15.397 -8.916 -10.153 1.00 0.00 H new ATOM 0 HE2 MET A 88 14.723 -7.626 -9.130 1.00 0.00 H new ATOM 0 HE3 MET A 88 14.624 -9.323 -8.603 1.00 0.00 H new ATOM 1374 N GLU A 89 8.035 -6.248 -8.538 1.00 0.00 N ATOM 1375 CA GLU A 89 7.691 -4.835 -8.417 1.00 0.00 C ATOM 1376 C GLU A 89 7.265 -4.459 -7.004 1.00 0.00 C ATOM 1377 O GLU A 89 6.985 -3.289 -6.738 1.00 0.00 O ATOM 1378 CB GLU A 89 6.598 -4.459 -9.419 1.00 0.00 C ATOM 1379 CG GLU A 89 6.520 -2.965 -9.702 1.00 0.00 C ATOM 1380 CD GLU A 89 6.070 -2.649 -11.118 1.00 0.00 C ATOM 1381 OE1 GLU A 89 6.504 -3.352 -12.055 1.00 0.00 O ATOM 1382 OE2 GLU A 89 5.281 -1.695 -11.288 1.00 0.00 O ATOM 0 H GLU A 89 7.329 -6.814 -9.008 1.00 0.00 H new ATOM 0 HA GLU A 89 8.594 -4.269 -8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.776 -4.989 -10.355 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.635 -4.799 -9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.830 -2.503 -8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.499 -2.517 -9.530 1.00 0.00 H new ATOM 1389 N ASN A 90 7.254 -5.428 -6.082 1.00 0.00 N ATOM 1390 CA ASN A 90 6.912 -5.135 -4.697 1.00 0.00 C ATOM 1391 C ASN A 90 7.752 -3.953 -4.221 1.00 0.00 C ATOM 1392 O ASN A 90 7.308 -3.154 -3.394 1.00 0.00 O ATOM 1393 CB ASN A 90 7.174 -6.349 -3.802 1.00 0.00 C ATOM 1394 CG ASN A 90 5.903 -7.084 -3.433 1.00 0.00 C ATOM 1395 OD1 ASN A 90 5.503 -8.031 -4.107 1.00 0.00 O ATOM 1396 ND2 ASN A 90 5.257 -6.649 -2.356 1.00 0.00 N ATOM 0 H ASN A 90 7.475 -6.406 -6.271 1.00 0.00 H new ATOM 0 HA ASN A 90 5.851 -4.891 -4.637 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.850 -7.034 -4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.678 -6.023 -2.892 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.394 -7.105 -2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.624 -5.859 -1.825 1.00 0.00 H new ATOM 1403 N TYR A 91 8.975 -3.854 -4.772 1.00 0.00 N ATOM 1404 CA TYR A 91 9.902 -2.784 -4.440 1.00 0.00 C ATOM 1405 C TYR A 91 9.920 -2.532 -2.939 1.00 0.00 C ATOM 1406 O TYR A 91 9.985 -1.391 -2.477 1.00 0.00 O ATOM 1407 CB TYR A 91 9.535 -1.515 -5.216 1.00 0.00 C ATOM 1408 CG TYR A 91 10.667 -0.519 -5.324 1.00 0.00 C ATOM 1409 CD1 TYR A 91 11.849 -0.854 -5.970 1.00 0.00 C ATOM 1410 CD2 TYR A 91 10.553 0.753 -4.779 1.00 0.00 C ATOM 1411 CE1 TYR A 91 12.887 0.051 -6.069 1.00 0.00 C ATOM 1412 CE2 TYR A 91 11.586 1.664 -4.874 1.00 0.00 C ATOM 1413 CZ TYR A 91 12.752 1.310 -5.519 1.00 0.00 C ATOM 1414 OH TYR A 91 13.785 2.213 -5.616 1.00 0.00 O ATOM 0 H TYR A 91 9.338 -4.517 -5.457 1.00 0.00 H new ATOM 0 HA TYR A 91 10.908 -3.084 -4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.212 -1.794 -6.219 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.686 -1.035 -4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.958 -1.838 -6.402 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.641 1.034 -4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 91 13.801 -0.225 -6.575 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.481 2.650 -4.445 1.00 0.00 H new ATOM 0 HH TYR A 91 13.529 3.052 -5.179 1.00 0.00 H new ATOM 1424 N LEU A 92 9.854 -3.625 -2.187 1.00 0.00 N ATOM 1425 CA LEU A 92 9.859 -3.556 -0.731 1.00 0.00 C ATOM 1426 C LEU A 92 11.157 -2.934 -0.223 1.00 0.00 C ATOM 1427 O LEU A 92 12.238 -3.232 -0.732 1.00 0.00 O ATOM 1428 CB LEU A 92 9.670 -4.944 -0.111 1.00 0.00 C ATOM 1429 CG LEU A 92 10.506 -6.067 -0.738 1.00 0.00 C ATOM 1430 CD1 LEU A 92 11.283 -6.822 0.330 1.00 0.00 C ATOM 1431 CD2 LEU A 92 9.617 -7.021 -1.527 1.00 0.00 C ATOM 0 H LEU A 92 9.796 -4.571 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 92 9.023 -2.925 -0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.911 -4.885 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.617 -5.215 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 92 11.221 -5.615 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.869 -7.614 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.951 -6.134 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.587 -7.260 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.228 -7.811 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.876 -7.463 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.110 -6.473 -2.321 1.00 0.00 H new ATOM 1443 N VAL A 93 11.038 -2.069 0.780 1.00 0.00 N ATOM 1444 CA VAL A 93 12.195 -1.398 1.361 1.00 0.00 C ATOM 1445 C VAL A 93 12.636 -2.092 2.652 1.00 0.00 C ATOM 1446 O VAL A 93 11.989 -1.949 3.691 1.00 0.00 O ATOM 1447 CB VAL A 93 11.896 0.089 1.659 1.00 0.00 C ATOM 1448 CG1 VAL A 93 13.166 0.823 2.060 1.00 0.00 C ATOM 1449 CG2 VAL A 93 11.243 0.759 0.456 1.00 0.00 C ATOM 0 H VAL A 93 10.148 -1.816 1.208 1.00 0.00 H new ATOM 0 HA VAL A 93 12.999 -1.454 0.627 1.00 0.00 H new ATOM 0 HB VAL A 93 11.198 0.135 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.933 1.868 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 93 13.586 0.362 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.891 0.766 1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.041 1.805 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.913 0.700 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.307 0.252 0.221 1.00 0.00 H new ATOM 1459 N PRO A 94 13.738 -2.866 2.597 1.00 0.00 N ATOM 1460 CA PRO A 94 14.262 -3.589 3.756 1.00 0.00 C ATOM 1461 C PRO A 94 15.231 -2.749 4.585 1.00 0.00 C ATOM 1462 O PRO A 94 16.180 -2.174 4.050 1.00 0.00 O ATOM 1463 CB PRO A 94 14.995 -4.756 3.104 1.00 0.00 C ATOM 1464 CG PRO A 94 15.510 -4.205 1.816 1.00 0.00 C ATOM 1465 CD PRO A 94 14.558 -3.109 1.394 1.00 0.00 C ATOM 0 HA PRO A 94 13.478 -3.878 4.457 1.00 0.00 H new ATOM 0 HB2 PRO A 94 15.808 -5.115 3.735 1.00 0.00 H new ATOM 0 HB3 PRO A 94 14.326 -5.600 2.935 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.519 -3.813 1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 94 15.562 -4.985 1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.094 -2.211 1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.944 -3.417 0.548 1.00 0.00 H new