USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=22 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 75 TYR OH : rot 7:sc= 0.0638 USER MOD Set 1.2: A 87 ASN : amide:sc= 0.0228 X(o=-1.5,f=-1.7) USER MOD Set 1.3: A 90 ASN : amide:sc= -1.58 X(o=-1.5,f=-1.9!) USER MOD Set 2.1: A 14 MET CE :methyl 173:sc= -0.241 (180deg=-0.122) USER MOD Set 2.2: A 65 HIS :FLIP no HD1:sc= -0.129 F(o=-1.2,f=-0.37) USER MOD Single : A 12 SER OG : rot 26:sc= 0.498 USER MOD Single : A 13 ASN : amide:sc= 1.09 K(o=1.1,f=0.056) USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= -1.03 (180deg=-1.25) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.2 K(o=-1.2,f=-5.3!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.599 USER MOD Single : A 29 ASN : amide:sc= -0.799 K(o=-0.8,f=-5!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -2.08 K(o=-2.1,f=-3.4!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= 0.113 (180deg=0.0507) USER MOD Single : A 56 ASN : amide:sc= 0.54 K(o=0.54,f=-0.13) USER MOD Single : A 61 SER OG : rot 157:sc= -0.612 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 66 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 67 ASN : amide:sc= -0.0476 X(o=-0.048,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00183 USER MOD Single : A 72 THR OG1 : rot 170:sc= 0.0533 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -133:sc= -0.233 (180deg=-0.966) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 110:sc= -0.148 USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 84 SER OG : rot 10:sc= 0.933 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 -6.912 -11.028 -2.463 1.00 0.00 N ATOM 155 CA LEU A 11 -7.368 -9.851 -1.729 1.00 0.00 C ATOM 156 C LEU A 11 -7.701 -10.218 -0.285 1.00 0.00 C ATOM 157 O LEU A 11 -7.432 -11.340 0.149 1.00 0.00 O ATOM 158 CB LEU A 11 -8.597 -9.245 -2.419 1.00 0.00 C ATOM 159 CG LEU A 11 -9.775 -10.206 -2.616 1.00 0.00 C ATOM 160 CD1 LEU A 11 -10.936 -9.827 -1.707 1.00 0.00 C ATOM 161 CD2 LEU A 11 -10.218 -10.214 -4.072 1.00 0.00 C ATOM 0 HA LEU A 11 -6.567 -9.112 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.939 -8.392 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.295 -8.862 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.446 -11.210 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.762 -10.521 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.614 -9.873 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.265 -8.814 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.055 -10.901 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.527 -9.210 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.389 -10.536 -4.703 1.00 0.00 H new ATOM 173 N SER A 12 -8.295 -9.274 0.449 1.00 0.00 N ATOM 174 CA SER A 12 -8.678 -9.494 1.846 1.00 0.00 C ATOM 175 C SER A 12 -7.539 -10.131 2.649 1.00 0.00 C ATOM 176 O SER A 12 -7.607 -11.306 3.017 1.00 0.00 O ATOM 177 CB SER A 12 -9.938 -10.367 1.921 1.00 0.00 C ATOM 178 OG SER A 12 -9.813 -11.531 1.122 1.00 0.00 O ATOM 0 H SER A 12 -8.522 -8.344 0.096 1.00 0.00 H new ATOM 0 HA SER A 12 -8.892 -8.522 2.289 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.122 -10.653 2.956 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.802 -9.790 1.592 1.00 0.00 H new ATOM 0 HG SER A 12 -8.865 -11.757 1.019 1.00 0.00 H new ATOM 184 N ASN A 13 -6.494 -9.346 2.921 1.00 0.00 N ATOM 185 CA ASN A 13 -5.343 -9.834 3.683 1.00 0.00 C ATOM 186 C ASN A 13 -4.948 -8.841 4.782 1.00 0.00 C ATOM 187 O ASN A 13 -5.355 -8.996 5.935 1.00 0.00 O ATOM 188 CB ASN A 13 -4.154 -10.104 2.750 1.00 0.00 C ATOM 189 CG ASN A 13 -4.189 -11.501 2.156 1.00 0.00 C ATOM 190 OD1 ASN A 13 -5.083 -11.833 1.382 1.00 0.00 O ATOM 191 ND2 ASN A 13 -3.214 -12.328 2.516 1.00 0.00 N ATOM 0 H ASN A 13 -6.421 -8.372 2.626 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.629 -10.771 4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.154 -9.370 1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.224 -9.971 3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.189 -13.278 2.147 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.490 -12.013 3.162 1.00 0.00 H new ATOM 198 N MET A 14 -4.159 -7.825 4.421 1.00 0.00 N ATOM 199 CA MET A 14 -3.715 -6.812 5.382 1.00 0.00 C ATOM 200 C MET A 14 -2.919 -5.709 4.681 1.00 0.00 C ATOM 201 O MET A 14 -2.043 -5.992 3.866 1.00 0.00 O ATOM 202 CB MET A 14 -2.865 -7.453 6.482 1.00 0.00 C ATOM 203 CG MET A 14 -2.945 -6.722 7.813 1.00 0.00 C ATOM 204 SD MET A 14 -4.621 -6.679 8.480 1.00 0.00 S ATOM 205 CE MET A 14 -4.785 -8.347 9.113 1.00 0.00 C ATOM 0 H MET A 14 -3.815 -7.682 3.471 1.00 0.00 H new ATOM 0 HA MET A 14 -4.600 -6.366 5.835 1.00 0.00 H new ATOM 0 HB2 MET A 14 -3.186 -8.485 6.623 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.826 -7.484 6.155 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.284 -7.208 8.531 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.582 -5.702 7.686 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.720 -8.436 9.665 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.785 -9.053 8.282 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.949 -8.568 9.777 1.00 0.00 H new ATOM 215 N LYS A 15 -3.224 -4.453 5.009 1.00 0.00 N ATOM 216 CA LYS A 15 -2.540 -3.313 4.411 1.00 0.00 C ATOM 217 C LYS A 15 -2.357 -2.197 5.439 1.00 0.00 C ATOM 218 O LYS A 15 -3.044 -2.156 6.461 1.00 0.00 O ATOM 219 CB LYS A 15 -3.322 -2.800 3.195 1.00 0.00 C ATOM 220 CG LYS A 15 -2.563 -1.770 2.372 1.00 0.00 C ATOM 221 CD LYS A 15 -2.942 -1.832 0.899 1.00 0.00 C ATOM 222 CE LYS A 15 -4.299 -1.193 0.645 1.00 0.00 C ATOM 223 NZ LYS A 15 -4.599 -1.076 -0.809 1.00 0.00 N ATOM 0 H LYS A 15 -3.943 -4.202 5.688 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.554 -3.637 4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.579 -3.645 2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.260 -2.361 3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.770 -0.772 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.491 -1.938 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.182 -1.324 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.961 -2.871 0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.075 -1.787 1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.324 -0.203 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.601 -0.829 -0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.003 -0.334 -1.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.403 -1.983 -1.278 1.00 0.00 H new ATOM 237 N PHE A 16 -1.413 -1.304 5.173 1.00 0.00 N ATOM 238 CA PHE A 16 -1.122 -0.200 6.077 1.00 0.00 C ATOM 239 C PHE A 16 -0.417 0.923 5.314 1.00 0.00 C ATOM 240 O PHE A 16 0.611 0.689 4.684 1.00 0.00 O ATOM 241 CB PHE A 16 -0.272 -0.724 7.238 1.00 0.00 C ATOM 242 CG PHE A 16 0.142 0.317 8.240 1.00 0.00 C ATOM 243 CD1 PHE A 16 -0.802 1.131 8.845 1.00 0.00 C ATOM 244 CD2 PHE A 16 1.474 0.469 8.591 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.426 2.080 9.775 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.857 1.416 9.524 1.00 0.00 C ATOM 247 CZ PHE A 16 0.904 2.222 10.116 1.00 0.00 C ATOM 0 H PHE A 16 -0.833 -1.323 4.334 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.044 0.214 6.485 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.831 -1.503 7.756 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.624 -1.192 6.831 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.845 1.022 8.586 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.222 -0.159 8.131 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.172 2.711 10.235 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.898 1.525 9.789 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.199 2.962 10.845 1.00 0.00 H new ATOM 257 N TYR A 17 -0.987 2.130 5.338 1.00 0.00 N ATOM 258 CA TYR A 17 -0.411 3.261 4.605 1.00 0.00 C ATOM 259 C TYR A 17 0.081 4.368 5.543 1.00 0.00 C ATOM 260 O TYR A 17 -0.706 5.182 6.024 1.00 0.00 O ATOM 261 CB TYR A 17 -1.451 3.823 3.629 1.00 0.00 C ATOM 262 CG TYR A 17 -1.442 3.162 2.266 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.153 1.809 2.120 1.00 0.00 C ATOM 264 CD2 TYR A 17 -1.725 3.893 1.123 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.149 1.210 0.877 1.00 0.00 C ATOM 266 CE2 TYR A 17 -1.724 3.302 -0.125 1.00 0.00 C ATOM 267 CZ TYR A 17 -1.434 1.960 -0.245 1.00 0.00 C ATOM 268 OH TYR A 17 -1.427 1.370 -1.487 1.00 0.00 O ATOM 0 H TYR A 17 -1.840 2.349 5.852 1.00 0.00 H new ATOM 0 HA TYR A 17 0.456 2.894 4.055 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.442 3.712 4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.276 4.891 3.504 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.928 1.217 2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.951 4.946 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.924 0.158 0.783 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.949 3.889 -1.003 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.650 2.039 -2.168 1.00 0.00 H new ATOM 278 N LEU A 18 1.393 4.397 5.786 1.00 0.00 N ATOM 279 CA LEU A 18 1.996 5.407 6.656 1.00 0.00 C ATOM 280 C LEU A 18 3.465 5.635 6.282 1.00 0.00 C ATOM 281 O LEU A 18 4.368 5.230 7.009 1.00 0.00 O ATOM 282 CB LEU A 18 1.876 4.983 8.126 1.00 0.00 C ATOM 283 CG LEU A 18 0.872 5.784 8.963 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.495 5.118 8.957 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.373 5.944 10.392 1.00 0.00 C ATOM 0 H LEU A 18 2.058 3.732 5.392 1.00 0.00 H new ATOM 0 HA LEU A 18 1.459 6.346 6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.594 3.931 8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.858 5.065 8.591 1.00 0.00 H new ATOM 0 HG LEU A 18 0.774 6.772 8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.189 5.706 9.558 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.865 5.055 7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.413 4.115 9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.647 6.515 10.970 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.504 4.961 10.844 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.327 6.471 10.386 1.00 0.00 H new ATOM 297 N ASN A 19 3.697 6.278 5.135 1.00 0.00 N ATOM 298 CA ASN A 19 5.060 6.548 4.661 1.00 0.00 C ATOM 299 C ASN A 19 5.887 7.291 5.714 1.00 0.00 C ATOM 300 O ASN A 19 5.369 8.143 6.438 1.00 0.00 O ATOM 301 CB ASN A 19 5.031 7.366 3.365 1.00 0.00 C ATOM 302 CG ASN A 19 4.642 6.541 2.150 1.00 0.00 C ATOM 303 OD1 ASN A 19 3.659 6.843 1.475 1.00 0.00 O ATOM 304 ND2 ASN A 19 5.416 5.500 1.862 1.00 0.00 N ATOM 0 H ASN A 19 2.962 6.621 4.517 1.00 0.00 H new ATOM 0 HA ASN A 19 5.530 5.583 4.470 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.327 8.190 3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.014 7.807 3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.204 4.915 1.054 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.222 5.286 2.449 1.00 0.00 H new ATOM 311 N ARG A 20 7.180 6.960 5.783 1.00 0.00 N ATOM 312 CA ARG A 20 8.093 7.596 6.734 1.00 0.00 C ATOM 313 C ARG A 20 8.778 8.807 6.106 1.00 0.00 C ATOM 314 O ARG A 20 8.697 9.918 6.631 1.00 0.00 O ATOM 315 CB ARG A 20 9.148 6.595 7.217 1.00 0.00 C ATOM 316 CG ARG A 20 9.689 6.900 8.605 1.00 0.00 C ATOM 317 CD ARG A 20 11.206 6.805 8.647 1.00 0.00 C ATOM 318 NE ARG A 20 11.782 7.615 9.721 1.00 0.00 N ATOM 319 CZ ARG A 20 13.074 7.601 10.059 1.00 0.00 C ATOM 320 NH1 ARG A 20 13.935 6.824 9.407 1.00 0.00 N ATOM 321 NH2 ARG A 20 13.508 8.369 11.051 1.00 0.00 N ATOM 0 H ARG A 20 7.617 6.254 5.190 1.00 0.00 H new ATOM 0 HA ARG A 20 7.505 7.933 7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.714 5.595 7.217 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.976 6.583 6.508 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.378 7.900 8.906 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.260 6.203 9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.499 5.764 8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.615 7.130 7.690 1.00 0.00 H new ATOM 0 HE ARG A 20 11.158 8.229 10.244 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.610 6.233 8.642 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.920 6.820 9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.855 8.969 11.555 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.495 8.359 11.310 1.00 0.00 H new ATOM 397 N ASP A 26 5.189 10.179 -4.170 1.00 0.00 N ATOM 398 CA ASP A 26 4.541 8.917 -3.814 1.00 0.00 C ATOM 399 C ASP A 26 3.014 9.030 -3.885 1.00 0.00 C ATOM 400 O ASP A 26 2.335 8.070 -4.256 1.00 0.00 O ATOM 401 CB ASP A 26 4.975 8.478 -2.409 1.00 0.00 C ATOM 402 CG ASP A 26 5.304 6.998 -2.334 1.00 0.00 C ATOM 403 OD1 ASP A 26 5.946 6.480 -3.274 1.00 0.00 O ATOM 404 OD2 ASP A 26 4.922 6.356 -1.333 1.00 0.00 O ATOM 0 HA ASP A 26 4.854 8.165 -4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.848 9.056 -2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.179 8.706 -1.700 1.00 0.00 H new ATOM 409 N SER A 27 2.482 10.205 -3.525 1.00 0.00 N ATOM 410 CA SER A 27 1.043 10.452 -3.541 1.00 0.00 C ATOM 411 C SER A 27 0.356 9.675 -2.427 1.00 0.00 C ATOM 412 O SER A 27 -0.031 8.523 -2.605 1.00 0.00 O ATOM 413 CB SER A 27 0.450 10.081 -4.899 1.00 0.00 C ATOM 414 OG SER A 27 -0.166 11.198 -5.517 1.00 0.00 O ATOM 0 H SER A 27 3.037 11.004 -3.217 1.00 0.00 H new ATOM 0 HA SER A 27 0.875 11.516 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.236 9.692 -5.547 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.282 9.284 -4.772 1.00 0.00 H new ATOM 0 HG SER A 27 -0.535 10.930 -6.385 1.00 0.00 H new ATOM 420 N LEU A 28 0.222 10.318 -1.272 1.00 0.00 N ATOM 421 CA LEU A 28 -0.403 9.696 -0.113 1.00 0.00 C ATOM 422 C LEU A 28 -1.909 9.969 -0.082 1.00 0.00 C ATOM 423 O LEU A 28 -2.696 9.097 0.287 1.00 0.00 O ATOM 424 CB LEU A 28 0.251 10.206 1.176 1.00 0.00 C ATOM 425 CG LEU A 28 0.158 9.265 2.385 1.00 0.00 C ATOM 426 CD1 LEU A 28 -1.293 9.028 2.777 1.00 0.00 C ATOM 427 CD2 LEU A 28 0.855 7.942 2.092 1.00 0.00 C ATOM 0 H LEU A 28 0.540 11.274 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.256 8.619 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.303 10.405 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.208 11.158 1.443 1.00 0.00 H new ATOM 0 HG LEU A 28 0.664 9.742 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.333 8.358 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.760 9.978 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.827 8.577 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.778 7.290 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.381 7.463 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.906 8.126 1.869 1.00 0.00 H new ATOM 439 N ASN A 29 -2.304 11.181 -0.477 1.00 0.00 N ATOM 440 CA ASN A 29 -3.717 11.559 -0.494 1.00 0.00 C ATOM 441 C ASN A 29 -4.413 11.010 -1.736 1.00 0.00 C ATOM 442 O ASN A 29 -5.607 10.708 -1.705 1.00 0.00 O ATOM 443 CB ASN A 29 -3.870 13.086 -0.443 1.00 0.00 C ATOM 444 CG ASN A 29 -3.276 13.697 0.814 1.00 0.00 C ATOM 445 OD1 ASN A 29 -2.459 14.615 0.744 1.00 0.00 O ATOM 446 ND2 ASN A 29 -3.683 13.191 1.976 1.00 0.00 N ATOM 0 H ASN A 29 -1.667 11.915 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.188 11.127 0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.388 13.524 -1.317 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.928 13.342 -0.501 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.316 13.564 2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.362 12.430 1.991 1.00 0.00 H new ATOM 453 N ASP A 30 -3.659 10.884 -2.829 1.00 0.00 N ATOM 454 CA ASP A 30 -4.207 10.372 -4.081 1.00 0.00 C ATOM 455 C ASP A 30 -4.394 8.858 -4.023 1.00 0.00 C ATOM 456 O ASP A 30 -5.375 8.328 -4.550 1.00 0.00 O ATOM 457 CB ASP A 30 -3.298 10.747 -5.253 1.00 0.00 C ATOM 458 CG ASP A 30 -3.276 12.243 -5.508 1.00 0.00 C ATOM 459 OD1 ASP A 30 -2.515 12.951 -4.816 1.00 0.00 O ATOM 460 OD2 ASP A 30 -4.022 12.703 -6.397 1.00 0.00 O ATOM 0 H ASP A 30 -2.670 11.129 -2.870 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.185 10.829 -4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.285 10.400 -5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.637 10.232 -6.152 1.00 0.00 H new ATOM 465 N ILE A 31 -3.459 8.161 -3.369 1.00 0.00 N ATOM 466 CA ILE A 31 -3.550 6.705 -3.245 1.00 0.00 C ATOM 467 C ILE A 31 -4.753 6.300 -2.400 1.00 0.00 C ATOM 468 O ILE A 31 -5.269 5.197 -2.544 1.00 0.00 O ATOM 469 CB ILE A 31 -2.282 6.074 -2.636 1.00 0.00 C ATOM 470 CG1 ILE A 31 -1.932 6.754 -1.310 1.00 0.00 C ATOM 471 CG2 ILE A 31 -1.127 6.151 -3.622 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.626 6.284 -0.704 1.00 0.00 C ATOM 0 H ILE A 31 -2.641 8.576 -2.923 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.663 6.329 -4.262 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.475 5.021 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.881 7.831 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.737 6.574 -0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.239 5.702 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.389 5.612 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.924 7.194 -3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.449 6.812 0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.679 5.212 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.191 6.489 -1.396 1.00 0.00 H new ATOM 484 N ASP A 32 -5.209 7.202 -1.529 1.00 0.00 N ATOM 485 CA ASP A 32 -6.367 6.928 -0.685 1.00 0.00 C ATOM 486 C ASP A 32 -7.588 6.606 -1.545 1.00 0.00 C ATOM 487 O ASP A 32 -8.478 5.865 -1.126 1.00 0.00 O ATOM 488 CB ASP A 32 -6.664 8.126 0.220 1.00 0.00 C ATOM 489 CG ASP A 32 -7.834 7.873 1.148 1.00 0.00 C ATOM 490 OD1 ASP A 32 -7.658 7.123 2.133 1.00 0.00 O ATOM 491 OD2 ASP A 32 -8.926 8.421 0.889 1.00 0.00 O ATOM 0 H ASP A 32 -4.794 8.124 -1.392 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.140 6.064 -0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.779 8.359 0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.875 9.000 -0.396 1.00 0.00 H new ATOM 496 N GLN A 33 -7.613 7.164 -2.755 1.00 0.00 N ATOM 497 CA GLN A 33 -8.712 6.938 -3.682 1.00 0.00 C ATOM 498 C GLN A 33 -8.522 5.629 -4.446 1.00 0.00 C ATOM 499 O GLN A 33 -9.457 4.833 -4.564 1.00 0.00 O ATOM 500 CB GLN A 33 -8.828 8.111 -4.657 1.00 0.00 C ATOM 501 CG GLN A 33 -10.084 8.073 -5.512 1.00 0.00 C ATOM 502 CD GLN A 33 -11.131 9.068 -5.050 1.00 0.00 C ATOM 503 OE1 GLN A 33 -11.184 10.200 -5.532 1.00 0.00 O ATOM 504 NE2 GLN A 33 -11.974 8.650 -4.111 1.00 0.00 N ATOM 0 H GLN A 33 -6.881 7.777 -3.113 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.635 6.863 -3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.811 9.044 -4.093 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.955 8.117 -5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.820 8.283 -6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.506 7.068 -5.487 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.895 7.704 -3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.700 9.276 -3.763 1.00 0.00 H new ATOM 513 N LEU A 34 -7.311 5.400 -4.954 1.00 0.00 N ATOM 514 CA LEU A 34 -7.015 4.171 -5.693 1.00 0.00 C ATOM 515 C LEU A 34 -6.930 2.972 -4.748 1.00 0.00 C ATOM 516 O LEU A 34 -7.110 1.825 -5.165 1.00 0.00 O ATOM 517 CB LEU A 34 -5.715 4.323 -6.489 1.00 0.00 C ATOM 518 CG LEU A 34 -4.427 4.368 -5.661 1.00 0.00 C ATOM 519 CD1 LEU A 34 -3.864 2.970 -5.458 1.00 0.00 C ATOM 520 CD2 LEU A 34 -3.396 5.260 -6.339 1.00 0.00 C ATOM 0 H LEU A 34 -6.524 6.043 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.831 3.992 -6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.643 3.494 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.777 5.237 -7.079 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.664 4.785 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.950 3.028 -4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.596 2.355 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.642 2.523 -6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.485 5.283 -5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.169 4.866 -7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.794 6.270 -6.433 1.00 0.00 H new ATOM 532 N ALA A 35 -6.667 3.250 -3.474 1.00 0.00 N ATOM 533 CA ALA A 35 -6.570 2.207 -2.457 1.00 0.00 C ATOM 534 C ALA A 35 -7.949 1.837 -1.921 1.00 0.00 C ATOM 535 O ALA A 35 -8.140 0.736 -1.405 1.00 0.00 O ATOM 536 CB ALA A 35 -5.657 2.648 -1.321 1.00 0.00 C ATOM 0 H ALA A 35 -6.516 4.195 -3.120 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.138 1.321 -2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.598 1.857 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.661 2.852 -1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.058 3.552 -0.862 1.00 0.00 H new ATOM 542 N ARG A 36 -8.911 2.752 -2.062 1.00 0.00 N ATOM 543 CA ARG A 36 -10.278 2.506 -1.607 1.00 0.00 C ATOM 544 C ARG A 36 -10.841 1.246 -2.266 1.00 0.00 C ATOM 545 O ARG A 36 -11.629 0.518 -1.660 1.00 0.00 O ATOM 546 CB ARG A 36 -11.169 3.711 -1.926 1.00 0.00 C ATOM 547 CG ARG A 36 -12.405 3.803 -1.046 1.00 0.00 C ATOM 548 CD ARG A 36 -12.901 5.235 -0.933 1.00 0.00 C ATOM 549 NE ARG A 36 -13.783 5.417 0.219 1.00 0.00 N ATOM 550 CZ ARG A 36 -15.059 5.025 0.256 1.00 0.00 C ATOM 551 NH1 ARG A 36 -15.612 4.423 -0.795 1.00 0.00 N ATOM 552 NH2 ARG A 36 -15.784 5.235 1.349 1.00 0.00 N ATOM 0 H ARG A 36 -8.767 3.668 -2.487 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.262 2.357 -0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.585 4.624 -1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.479 3.657 -2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.194 3.175 -1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.176 3.416 -0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.049 5.909 -0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.433 5.508 -1.844 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.399 5.872 1.047 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.060 4.258 -1.637 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.587 4.127 -0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.366 5.695 2.158 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.759 4.936 1.380 1.00 0.00 H new ATOM 566 N LEU A 37 -10.419 0.990 -3.506 1.00 0.00 N ATOM 567 CA LEU A 37 -10.862 -0.188 -4.248 1.00 0.00 C ATOM 568 C LEU A 37 -10.390 -1.470 -3.563 1.00 0.00 C ATOM 569 O LEU A 37 -11.177 -2.387 -3.330 1.00 0.00 O ATOM 570 CB LEU A 37 -10.327 -0.135 -5.683 1.00 0.00 C ATOM 571 CG LEU A 37 -11.296 0.439 -6.719 1.00 0.00 C ATOM 572 CD1 LEU A 37 -11.242 1.960 -6.717 1.00 0.00 C ATOM 573 CD2 LEU A 37 -10.982 -0.109 -8.105 1.00 0.00 C ATOM 0 H LEU A 37 -9.769 1.586 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.952 -0.190 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.415 0.462 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.050 -1.144 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.307 0.133 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.938 2.350 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.518 2.333 -5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.231 2.289 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.681 0.310 -8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.964 0.165 -8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.076 -1.195 -8.097 1.00 0.00 H new ATOM 585 N ILE A 38 -9.099 -1.520 -3.233 1.00 0.00 N ATOM 586 CA ILE A 38 -8.515 -2.682 -2.566 1.00 0.00 C ATOM 587 C ILE A 38 -8.888 -2.703 -1.080 1.00 0.00 C ATOM 588 O ILE A 38 -8.962 -3.768 -0.464 1.00 0.00 O ATOM 589 CB ILE A 38 -6.976 -2.699 -2.713 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.584 -2.821 -4.191 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.365 -3.842 -1.908 1.00 0.00 C ATOM 592 CD1 ILE A 38 -6.475 -1.491 -4.905 1.00 0.00 C ATOM 0 H ILE A 38 -8.437 -0.766 -3.418 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.922 -3.571 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.586 -1.759 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.628 -3.341 -4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.322 -3.439 -4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.282 -3.833 -2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.615 -3.719 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.761 -4.792 -2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.194 -1.658 -5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.436 -0.978 -4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.716 -0.878 -4.419 1.00 0.00 H new ATOM 604 N ARG A 39 -9.139 -1.519 -0.519 1.00 0.00 N ATOM 605 CA ARG A 39 -9.524 -1.391 0.881 1.00 0.00 C ATOM 606 C ARG A 39 -10.950 -1.892 1.088 1.00 0.00 C ATOM 607 O ARG A 39 -11.309 -2.336 2.180 1.00 0.00 O ATOM 608 CB ARG A 39 -9.420 0.071 1.321 1.00 0.00 C ATOM 609 CG ARG A 39 -9.634 0.281 2.812 1.00 0.00 C ATOM 610 CD ARG A 39 -11.000 0.884 3.098 1.00 0.00 C ATOM 611 NE ARG A 39 -11.526 0.464 4.396 1.00 0.00 N ATOM 612 CZ ARG A 39 -12.793 0.637 4.779 1.00 0.00 C ATOM 613 NH1 ARG A 39 -13.669 1.233 3.975 1.00 0.00 N ATOM 614 NH2 ARG A 39 -13.184 0.212 5.976 1.00 0.00 N ATOM 0 H ARG A 39 -9.081 -0.632 -1.019 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.847 -1.996 1.484 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.437 0.454 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.155 0.659 0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.539 -0.672 3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.856 0.936 3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.929 1.971 3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.697 0.591 2.313 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.886 0.011 5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.375 1.563 3.056 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.635 1.360 4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.517 -0.244 6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.151 0.342 6.273 1.00 0.00 H new ATOM 628 N ALA A 40 -11.755 -1.816 0.028 1.00 0.00 N ATOM 629 CA ALA A 40 -13.139 -2.257 0.081 1.00 0.00 C ATOM 630 C ALA A 40 -13.282 -3.710 -0.384 1.00 0.00 C ATOM 631 O ALA A 40 -14.304 -4.350 -0.137 1.00 0.00 O ATOM 632 CB ALA A 40 -14.018 -1.344 -0.762 1.00 0.00 C ATOM 0 H ALA A 40 -11.466 -1.451 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.466 -2.205 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.052 -1.687 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.955 -0.325 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.678 -1.366 -1.797 1.00 0.00 H new ATOM 638 N ASN A 41 -12.250 -4.221 -1.061 1.00 0.00 N ATOM 639 CA ASN A 41 -12.253 -5.594 -1.566 1.00 0.00 C ATOM 640 C ASN A 41 -12.285 -6.613 -0.426 1.00 0.00 C ATOM 641 O ASN A 41 -12.802 -7.717 -0.587 1.00 0.00 O ATOM 642 CB ASN A 41 -11.007 -5.835 -2.426 1.00 0.00 C ATOM 643 CG ASN A 41 -11.263 -6.785 -3.581 1.00 0.00 C ATOM 644 OD1 ASN A 41 -12.228 -7.552 -3.570 1.00 0.00 O ATOM 645 ND2 ASN A 41 -10.396 -6.744 -4.586 1.00 0.00 N ATOM 0 H ASN A 41 -11.399 -3.700 -1.272 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.153 -5.724 -2.167 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.652 -4.882 -2.818 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.211 -6.238 -1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.516 -7.362 -5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.610 -6.094 -4.556 1.00 0.00 H new ATOM 652 N GLY A 42 -11.722 -6.237 0.723 1.00 0.00 N ATOM 653 CA GLY A 42 -11.691 -7.132 1.866 1.00 0.00 C ATOM 654 C GLY A 42 -10.556 -6.822 2.829 1.00 0.00 C ATOM 655 O GLY A 42 -10.650 -7.128 4.020 1.00 0.00 O ATOM 0 H GLY A 42 -11.287 -5.328 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.640 -7.067 2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.592 -8.159 1.514 1.00 0.00 H new ATOM 659 N GLY A 43 -9.482 -6.212 2.322 1.00 0.00 N ATOM 660 CA GLY A 43 -8.352 -5.872 3.162 1.00 0.00 C ATOM 661 C GLY A 43 -8.634 -4.678 4.051 1.00 0.00 C ATOM 662 O GLY A 43 -9.794 -4.346 4.304 1.00 0.00 O ATOM 0 H GLY A 43 -9.380 -5.949 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.092 -6.730 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.487 -5.658 2.534 1.00 0.00 H new ATOM 666 N GLU A 44 -7.575 -4.033 4.528 1.00 0.00 N ATOM 667 CA GLU A 44 -7.710 -2.878 5.399 1.00 0.00 C ATOM 668 C GLU A 44 -6.503 -1.962 5.267 1.00 0.00 C ATOM 669 O GLU A 44 -5.372 -2.388 5.482 1.00 0.00 O ATOM 670 CB GLU A 44 -7.848 -3.334 6.849 1.00 0.00 C ATOM 671 CG GLU A 44 -9.168 -4.015 7.150 1.00 0.00 C ATOM 672 CD GLU A 44 -9.560 -3.907 8.611 1.00 0.00 C ATOM 673 OE1 GLU A 44 -9.143 -4.777 9.404 1.00 0.00 O ATOM 674 OE2 GLU A 44 -10.282 -2.950 8.964 1.00 0.00 O ATOM 0 H GLU A 44 -6.611 -4.294 4.323 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.603 -2.327 5.103 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.034 -4.019 7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.737 -2.470 7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.950 -3.571 6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.102 -5.067 6.872 1.00 0.00 H new ATOM 681 N VAL A 45 -6.751 -0.707 4.915 1.00 0.00 N ATOM 682 CA VAL A 45 -5.679 0.271 4.760 1.00 0.00 C ATOM 683 C VAL A 45 -6.094 1.641 5.287 1.00 0.00 C ATOM 684 O VAL A 45 -7.254 2.039 5.173 1.00 0.00 O ATOM 685 CB VAL A 45 -5.236 0.402 3.287 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.400 0.831 2.408 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.075 1.375 3.159 1.00 0.00 C ATOM 0 H VAL A 45 -7.685 -0.341 4.731 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.837 -0.095 5.348 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.898 -0.577 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.063 0.917 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.196 0.089 2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.776 1.796 2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.779 1.452 2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.381 2.356 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.232 1.015 3.749 1.00 0.00 H new ATOM 697 N LEU A 46 -5.131 2.360 5.859 1.00 0.00 N ATOM 698 CA LEU A 46 -5.377 3.694 6.399 1.00 0.00 C ATOM 699 C LEU A 46 -4.345 4.676 5.853 1.00 0.00 C ATOM 700 O LEU A 46 -3.213 4.726 6.333 1.00 0.00 O ATOM 701 CB LEU A 46 -5.331 3.674 7.936 1.00 0.00 C ATOM 702 CG LEU A 46 -5.949 2.439 8.602 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.590 2.395 10.081 1.00 0.00 C ATOM 704 CD2 LEU A 46 -7.460 2.427 8.418 1.00 0.00 C ATOM 0 H LEU A 46 -4.168 2.039 5.961 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.372 4.016 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.291 3.752 8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.844 4.560 8.308 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.540 1.550 8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.037 1.512 10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.506 2.352 10.191 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.969 3.290 10.574 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.878 1.542 8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.889 3.322 8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.697 2.408 7.354 1.00 0.00 H new ATOM 716 N ASP A 47 -4.737 5.439 4.832 1.00 0.00 N ATOM 717 CA ASP A 47 -3.836 6.407 4.202 1.00 0.00 C ATOM 718 C ASP A 47 -3.618 7.627 5.097 1.00 0.00 C ATOM 719 O ASP A 47 -4.526 8.437 5.288 1.00 0.00 O ATOM 720 CB ASP A 47 -4.391 6.853 2.843 1.00 0.00 C ATOM 721 CG ASP A 47 -4.713 5.690 1.922 1.00 0.00 C ATOM 722 OD1 ASP A 47 -5.615 4.893 2.258 1.00 0.00 O ATOM 723 OD2 ASP A 47 -4.069 5.582 0.861 1.00 0.00 O ATOM 0 H ASP A 47 -5.671 5.406 4.423 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.875 5.914 4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.293 7.444 3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.665 7.504 2.356 1.00 0.00 H new ATOM 728 N SER A 48 -2.407 7.750 5.639 1.00 0.00 N ATOM 729 CA SER A 48 -2.067 8.872 6.511 1.00 0.00 C ATOM 730 C SER A 48 -0.798 9.576 6.032 1.00 0.00 C ATOM 731 O SER A 48 0.257 8.950 5.907 1.00 0.00 O ATOM 732 CB SER A 48 -1.883 8.387 7.952 1.00 0.00 C ATOM 733 OG SER A 48 -1.994 9.461 8.872 1.00 0.00 O ATOM 0 H SER A 48 -1.646 7.087 5.490 1.00 0.00 H new ATOM 0 HA SER A 48 -2.889 9.587 6.476 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.632 7.629 8.182 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.907 7.914 8.057 1.00 0.00 H new ATOM 0 HG SER A 48 -1.874 9.124 9.784 1.00 0.00 H new ATOM 739 N LYS A 49 -0.909 10.879 5.772 1.00 0.00 N ATOM 740 CA LYS A 49 0.229 11.677 5.314 1.00 0.00 C ATOM 741 C LYS A 49 1.328 11.702 6.377 1.00 0.00 C ATOM 742 O LYS A 49 1.037 11.725 7.572 1.00 0.00 O ATOM 743 CB LYS A 49 -0.217 13.108 4.994 1.00 0.00 C ATOM 744 CG LYS A 49 0.362 13.660 3.699 1.00 0.00 C ATOM 745 CD LYS A 49 -0.475 14.812 3.162 1.00 0.00 C ATOM 746 CE LYS A 49 0.221 15.522 2.010 1.00 0.00 C ATOM 747 NZ LYS A 49 -0.131 16.969 1.954 1.00 0.00 N ATOM 0 H LYS A 49 -1.777 11.405 5.871 1.00 0.00 H new ATOM 0 HA LYS A 49 0.626 11.218 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.305 13.134 4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.073 13.761 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.383 14.000 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.412 12.866 2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.441 14.435 2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.671 15.524 3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.300 15.415 2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.055 15.045 1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.364 17.416 1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.158 17.072 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.155 17.431 2.841 1.00 0.00 H new ATOM 761 N PRO A 50 2.609 11.696 5.953 1.00 0.00 N ATOM 762 CA PRO A 50 3.751 11.718 6.880 1.00 0.00 C ATOM 763 C PRO A 50 3.655 12.859 7.893 1.00 0.00 C ATOM 764 O PRO A 50 4.014 14.000 7.595 1.00 0.00 O ATOM 765 CB PRO A 50 4.956 11.916 5.957 1.00 0.00 C ATOM 766 CG PRO A 50 4.520 11.368 4.642 1.00 0.00 C ATOM 767 CD PRO A 50 3.048 11.662 4.543 1.00 0.00 C ATOM 0 HA PRO A 50 3.806 10.811 7.481 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.225 12.969 5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.834 11.391 6.334 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.068 11.834 3.823 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.710 10.296 4.583 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.861 12.611 4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.522 10.893 3.977 1.00 0.00 H new ATOM 775 N ARG A 51 3.161 12.543 9.088 1.00 0.00 N ATOM 776 CA ARG A 51 3.010 13.539 10.146 1.00 0.00 C ATOM 777 C ARG A 51 4.129 13.419 11.172 1.00 0.00 C ATOM 778 O ARG A 51 5.068 14.217 11.174 1.00 0.00 O ATOM 779 CB ARG A 51 1.654 13.384 10.836 1.00 0.00 C ATOM 780 CG ARG A 51 0.499 13.966 10.038 1.00 0.00 C ATOM 781 CD ARG A 51 0.088 15.341 10.551 1.00 0.00 C ATOM 782 NE ARG A 51 1.217 16.270 10.631 1.00 0.00 N ATOM 783 CZ ARG A 51 1.105 17.598 10.534 1.00 0.00 C ATOM 784 NH1 ARG A 51 -0.085 18.166 10.359 1.00 0.00 N ATOM 785 NH2 ARG A 51 2.187 18.361 10.622 1.00 0.00 N ATOM 0 H ARG A 51 2.858 11.604 9.348 1.00 0.00 H new ATOM 0 HA ARG A 51 3.066 14.526 9.687 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.465 12.326 11.015 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.693 13.870 11.811 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.784 14.041 8.989 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.354 13.290 10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.675 15.757 9.893 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.364 15.237 11.538 1.00 0.00 H new ATOM 0 HE ARG A 51 2.149 15.878 10.770 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.922 17.587 10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.160 19.181 10.286 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.102 17.934 10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.103 19.375 10.548 1.00 0.00 H new ATOM 799 N GLU A 52 4.029 12.414 12.040 1.00 0.00 N ATOM 800 CA GLU A 52 5.039 12.192 13.065 1.00 0.00 C ATOM 801 C GLU A 52 6.136 11.278 12.537 1.00 0.00 C ATOM 802 O GLU A 52 5.869 10.158 12.098 1.00 0.00 O ATOM 803 CB GLU A 52 4.408 11.574 14.317 1.00 0.00 C ATOM 804 CG GLU A 52 3.745 12.588 15.235 1.00 0.00 C ATOM 805 CD GLU A 52 4.514 12.791 16.526 1.00 0.00 C ATOM 806 OE1 GLU A 52 5.499 13.558 16.516 1.00 0.00 O ATOM 807 OE2 GLU A 52 4.135 12.175 17.544 1.00 0.00 O ATOM 0 H GLU A 52 3.260 11.744 12.052 1.00 0.00 H new ATOM 0 HA GLU A 52 5.475 13.156 13.329 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.667 10.835 14.012 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.178 11.041 14.875 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.657 13.542 14.714 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.733 12.256 15.467 1.00 0.00 H new ATOM 814 N SER A 53 7.372 11.764 12.584 1.00 0.00 N ATOM 815 CA SER A 53 8.516 10.992 12.110 1.00 0.00 C ATOM 816 C SER A 53 9.318 10.429 13.278 1.00 0.00 C ATOM 817 O SER A 53 10.162 11.116 13.857 1.00 0.00 O ATOM 818 CB SER A 53 9.415 11.854 11.218 1.00 0.00 C ATOM 819 OG SER A 53 9.784 11.155 10.041 1.00 0.00 O ATOM 0 H SER A 53 7.607 12.688 12.945 1.00 0.00 H new ATOM 0 HA SER A 53 8.136 10.157 11.522 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.894 12.773 10.951 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.310 12.143 11.769 1.00 0.00 H new ATOM 0 HG SER A 53 10.356 11.726 9.487 1.00 0.00 H new ATOM 825 N LYS A 54 9.048 9.171 13.615 1.00 0.00 N ATOM 826 CA LYS A 54 9.740 8.496 14.710 1.00 0.00 C ATOM 827 C LYS A 54 10.234 7.114 14.279 1.00 0.00 C ATOM 828 O LYS A 54 10.439 6.232 15.115 1.00 0.00 O ATOM 829 CB LYS A 54 8.805 8.364 15.913 1.00 0.00 C ATOM 830 CG LYS A 54 7.595 7.478 15.651 1.00 0.00 C ATOM 831 CD LYS A 54 6.526 7.648 16.721 1.00 0.00 C ATOM 832 CE LYS A 54 5.870 9.019 16.643 1.00 0.00 C ATOM 833 NZ LYS A 54 4.460 8.994 17.129 1.00 0.00 N ATOM 0 H LYS A 54 8.351 8.595 13.143 1.00 0.00 H new ATOM 0 HA LYS A 54 10.606 9.096 14.988 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.366 7.959 16.755 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.462 9.356 16.206 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.173 7.718 14.675 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.910 6.435 15.614 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.768 6.874 16.605 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.972 7.513 17.706 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.445 9.730 17.236 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.892 9.373 15.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.151 9.963 17.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.846 8.593 16.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.399 8.409 17.987 1.00 0.00 H new ATOM 847 N GLU A 55 10.415 6.932 12.968 1.00 0.00 N ATOM 848 CA GLU A 55 10.874 5.658 12.415 1.00 0.00 C ATOM 849 C GLU A 55 9.881 4.525 12.702 1.00 0.00 C ATOM 850 O GLU A 55 10.237 3.347 12.644 1.00 0.00 O ATOM 851 CB GLU A 55 12.258 5.302 12.963 1.00 0.00 C ATOM 852 CG GLU A 55 13.161 4.629 11.942 1.00 0.00 C ATOM 853 CD GLU A 55 14.621 4.657 12.344 1.00 0.00 C ATOM 854 OE1 GLU A 55 15.245 5.736 12.243 1.00 0.00 O ATOM 855 OE2 GLU A 55 15.142 3.601 12.758 1.00 0.00 O ATOM 0 H GLU A 55 10.249 7.655 12.268 1.00 0.00 H new ATOM 0 HA GLU A 55 10.941 5.776 11.333 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.742 6.210 13.322 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.141 4.642 13.823 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.845 3.594 11.810 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.044 5.124 10.978 1.00 0.00 H new ATOM 862 N ASN A 56 8.634 4.890 13.003 1.00 0.00 N ATOM 863 CA ASN A 56 7.588 3.909 13.293 1.00 0.00 C ATOM 864 C ASN A 56 6.540 3.865 12.177 1.00 0.00 C ATOM 865 O ASN A 56 5.739 2.932 12.108 1.00 0.00 O ATOM 866 CB ASN A 56 6.905 4.233 14.623 1.00 0.00 C ATOM 867 CG ASN A 56 7.659 3.676 15.812 1.00 0.00 C ATOM 868 OD1 ASN A 56 7.150 2.827 16.543 1.00 0.00 O ATOM 869 ND2 ASN A 56 8.883 4.150 16.012 1.00 0.00 N ATOM 0 H ASN A 56 8.324 5.860 13.052 1.00 0.00 H new ATOM 0 HA ASN A 56 8.064 2.931 13.359 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.815 5.314 14.728 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.893 3.828 14.616 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.440 3.810 16.796 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.267 4.854 15.381 1.00 0.00 H new ATOM 876 N VAL A 57 6.549 4.877 11.308 1.00 0.00 N ATOM 877 CA VAL A 57 5.599 4.945 10.202 1.00 0.00 C ATOM 878 C VAL A 57 6.120 4.202 8.972 1.00 0.00 C ATOM 879 O VAL A 57 7.176 4.539 8.431 1.00 0.00 O ATOM 880 CB VAL A 57 5.257 6.408 9.821 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.322 7.025 10.851 1.00 0.00 C ATOM 882 CG2 VAL A 57 6.517 7.252 9.676 1.00 0.00 C ATOM 0 H VAL A 57 7.203 5.658 11.350 1.00 0.00 H new ATOM 0 HA VAL A 57 4.687 4.459 10.548 1.00 0.00 H new ATOM 0 HB VAL A 57 4.751 6.390 8.856 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.094 8.052 10.566 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.399 6.447 10.897 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.803 7.018 11.829 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.243 8.272 9.408 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.061 7.258 10.620 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.150 6.830 8.895 1.00 0.00 H new ATOM 892 N PHE A 58 5.369 3.192 8.532 1.00 0.00 N ATOM 893 CA PHE A 58 5.739 2.399 7.357 1.00 0.00 C ATOM 894 C PHE A 58 4.490 1.949 6.596 1.00 0.00 C ATOM 895 O PHE A 58 3.389 1.948 7.146 1.00 0.00 O ATOM 896 CB PHE A 58 6.577 1.171 7.748 1.00 0.00 C ATOM 897 CG PHE A 58 6.409 0.728 9.178 1.00 0.00 C ATOM 898 CD1 PHE A 58 5.191 0.247 9.635 1.00 0.00 C ATOM 899 CD2 PHE A 58 7.473 0.793 10.064 1.00 0.00 C ATOM 900 CE1 PHE A 58 5.038 -0.159 10.948 1.00 0.00 C ATOM 901 CE2 PHE A 58 7.325 0.387 11.376 1.00 0.00 C ATOM 902 CZ PHE A 58 6.107 -0.089 11.819 1.00 0.00 C ATOM 0 H PHE A 58 4.496 2.902 8.973 1.00 0.00 H new ATOM 0 HA PHE A 58 6.344 3.036 6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.312 0.342 7.091 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.629 1.394 7.572 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.352 0.189 8.957 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.428 1.165 9.725 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.084 -0.530 11.292 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.163 0.442 12.056 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.991 -0.406 12.845 1.00 0.00 H new ATOM 912 N ILE A 59 4.669 1.572 5.331 1.00 0.00 N ATOM 913 CA ILE A 59 3.559 1.122 4.498 1.00 0.00 C ATOM 914 C ILE A 59 3.692 -0.363 4.151 1.00 0.00 C ATOM 915 O ILE A 59 4.709 -0.790 3.609 1.00 0.00 O ATOM 916 CB ILE A 59 3.453 1.962 3.201 1.00 0.00 C ATOM 917 CG1 ILE A 59 2.287 1.480 2.331 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.757 1.921 2.417 1.00 0.00 C ATOM 919 CD1 ILE A 59 2.161 2.216 1.013 1.00 0.00 C ATOM 0 H ILE A 59 5.574 1.570 4.861 1.00 0.00 H new ATOM 0 HA ILE A 59 2.646 1.262 5.076 1.00 0.00 H new ATOM 0 HB ILE A 59 3.261 2.996 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.411 0.416 2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.358 1.593 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.656 2.519 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.563 2.325 3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.987 0.890 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.314 1.819 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.005 3.278 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.074 2.082 0.433 1.00 0.00 H new ATOM 931 N VAL A 60 2.660 -1.147 4.474 1.00 0.00 N ATOM 932 CA VAL A 60 2.669 -2.583 4.198 1.00 0.00 C ATOM 933 C VAL A 60 1.752 -2.927 3.021 1.00 0.00 C ATOM 934 O VAL A 60 0.759 -2.239 2.770 1.00 0.00 O ATOM 935 CB VAL A 60 2.263 -3.419 5.445 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.753 -2.757 6.727 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.757 -3.643 5.506 1.00 0.00 C ATOM 0 H VAL A 60 1.810 -0.811 4.926 1.00 0.00 H new ATOM 0 HA VAL A 60 3.694 -2.843 3.935 1.00 0.00 H new ATOM 0 HB VAL A 60 2.742 -4.393 5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.456 -3.361 7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.839 -2.673 6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.314 -1.763 6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.512 -4.231 6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.248 -2.681 5.557 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.432 -4.178 4.614 1.00 0.00 H new ATOM 947 N SER A 61 2.096 -3.995 2.298 1.00 0.00 N ATOM 948 CA SER A 61 1.312 -4.440 1.144 1.00 0.00 C ATOM 949 C SER A 61 0.440 -5.645 1.505 1.00 0.00 C ATOM 950 O SER A 61 0.777 -6.416 2.405 1.00 0.00 O ATOM 951 CB SER A 61 2.250 -4.793 -0.019 1.00 0.00 C ATOM 952 OG SER A 61 1.593 -5.576 -1.004 1.00 0.00 O ATOM 0 H SER A 61 2.916 -4.570 2.493 1.00 0.00 H new ATOM 0 HA SER A 61 0.654 -3.626 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.626 -3.877 -0.474 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.114 -5.338 0.362 1.00 0.00 H new ATOM 0 HG SER A 61 2.057 -5.479 -1.862 1.00 0.00 H new ATOM 958 N PRO A 62 -0.698 -5.828 0.797 1.00 0.00 N ATOM 959 CA PRO A 62 -1.617 -6.948 1.043 1.00 0.00 C ATOM 960 C PRO A 62 -0.962 -8.301 0.790 1.00 0.00 C ATOM 961 O PRO A 62 -0.636 -8.641 -0.349 1.00 0.00 O ATOM 962 CB PRO A 62 -2.756 -6.727 0.045 1.00 0.00 C ATOM 963 CG PRO A 62 -2.629 -5.311 -0.405 1.00 0.00 C ATOM 964 CD PRO A 62 -1.172 -4.963 -0.296 1.00 0.00 C ATOM 0 HA PRO A 62 -1.945 -6.968 2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.677 -7.414 -0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.725 -6.904 0.511 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.981 -5.196 -1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.234 -4.650 0.216 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.640 -5.162 -1.226 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.027 -3.908 -0.066 1.00 0.00 H new ATOM 972 N TYR A 63 -0.781 -9.069 1.862 1.00 0.00 N ATOM 973 CA TYR A 63 -0.171 -10.400 1.770 1.00 0.00 C ATOM 974 C TYR A 63 -0.025 -11.037 3.153 1.00 0.00 C ATOM 975 O TYR A 63 -0.758 -11.966 3.495 1.00 0.00 O ATOM 976 CB TYR A 63 1.197 -10.329 1.074 1.00 0.00 C ATOM 977 CG TYR A 63 1.374 -11.354 -0.027 1.00 0.00 C ATOM 978 CD1 TYR A 63 0.486 -11.419 -1.096 1.00 0.00 C ATOM 979 CD2 TYR A 63 2.429 -12.259 0.002 1.00 0.00 C ATOM 980 CE1 TYR A 63 0.642 -12.356 -2.099 1.00 0.00 C ATOM 981 CE2 TYR A 63 2.593 -13.197 -0.999 1.00 0.00 C ATOM 982 CZ TYR A 63 1.697 -13.241 -2.047 1.00 0.00 C ATOM 983 OH TYR A 63 1.856 -14.175 -3.045 1.00 0.00 O ATOM 0 H TYR A 63 -1.048 -8.795 2.808 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.834 -11.025 1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.330 -9.332 0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.981 -10.469 1.818 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.340 -10.725 -1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.132 -12.228 0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.059 -12.395 -2.920 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.419 -13.892 -0.961 1.00 0.00 H new ATOM 0 HH TYR A 63 2.648 -14.721 -2.859 1.00 0.00 H new ATOM 993 N ASN A 64 0.927 -10.542 3.945 1.00 0.00 N ATOM 994 CA ASN A 64 1.160 -11.075 5.285 1.00 0.00 C ATOM 995 C ASN A 64 1.255 -9.954 6.317 1.00 0.00 C ATOM 996 O ASN A 64 1.627 -8.826 5.988 1.00 0.00 O ATOM 997 CB ASN A 64 2.438 -11.920 5.313 1.00 0.00 C ATOM 998 CG ASN A 64 2.251 -13.233 6.051 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.721 -13.398 7.176 1.00 0.00 O ATOM 1000 ND2 ASN A 64 1.560 -14.178 5.420 1.00 0.00 N ATOM 0 H ASN A 64 1.546 -9.776 3.682 1.00 0.00 H new ATOM 0 HA ASN A 64 0.310 -11.707 5.542 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.757 -12.124 4.291 1.00 0.00 H new ATOM 0 HB3 ASN A 64 3.236 -11.350 5.789 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.403 -15.080 5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.187 -14.000 4.487 1.00 0.00 H new ATOM 1007 N HIS A 65 0.922 -10.276 7.566 1.00 0.00 N ATOM 1008 CA HIS A 65 0.979 -9.295 8.649 1.00 0.00 C ATOM 1009 C HIS A 65 2.424 -9.057 9.070 1.00 0.00 C ATOM 1010 O HIS A 65 3.098 -9.965 9.557 1.00 0.00 O ATOM 1011 CB HIS A 65 0.156 -9.767 9.856 1.00 0.00 C ATOM 1012 CG HIS A 65 -1.099 -10.500 9.493 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -2.091 -10.184 8.629 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 -1.444 -11.719 10.039 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 -3.006 -11.207 8.667 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 -2.594 -12.121 9.524 1.00 0.00 N flip ATOM 0 H HIS A 65 0.611 -11.204 7.853 1.00 0.00 H new ATOM 0 HA HIS A 65 0.555 -8.360 8.283 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.777 -10.416 10.474 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.105 -8.901 10.465 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.865 -12.261 10.773 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.917 -11.255 8.088 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.079 -12.989 9.751 1.00 0.00 H new ATOM 1025 N THR A 66 2.891 -7.826 8.874 1.00 0.00 N ATOM 1026 CA THR A 66 4.258 -7.454 9.227 1.00 0.00 C ATOM 1027 C THR A 66 4.358 -5.950 9.466 1.00 0.00 C ATOM 1028 O THR A 66 4.684 -5.187 8.553 1.00 0.00 O ATOM 1029 CB THR A 66 5.242 -7.871 8.126 1.00 0.00 C ATOM 1030 OG1 THR A 66 4.721 -8.933 7.343 1.00 0.00 O ATOM 1031 CG2 THR A 66 6.582 -8.318 8.665 1.00 0.00 C ATOM 0 H THR A 66 2.341 -7.068 8.471 1.00 0.00 H new ATOM 0 HA THR A 66 4.521 -7.979 10.145 1.00 0.00 H new ATOM 0 HB THR A 66 5.384 -6.976 7.521 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.369 -9.176 6.649 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.232 -8.599 7.836 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.040 -7.502 9.224 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.442 -9.175 9.323 1.00 0.00 H new ATOM 1039 N ASN A 67 4.074 -5.527 10.696 1.00 0.00 N ATOM 1040 CA ASN A 67 4.132 -4.111 11.049 1.00 0.00 C ATOM 1041 C ASN A 67 5.571 -3.689 11.357 1.00 0.00 C ATOM 1042 O ASN A 67 5.893 -3.308 12.485 1.00 0.00 O ATOM 1043 CB ASN A 67 3.220 -3.814 12.247 1.00 0.00 C ATOM 1044 CG ASN A 67 1.844 -4.454 12.122 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.340 -5.048 13.074 1.00 0.00 O ATOM 1046 ND2 ASN A 67 1.232 -4.343 10.945 1.00 0.00 N ATOM 0 H ASN A 67 3.802 -6.143 11.463 1.00 0.00 H new ATOM 0 HA ASN A 67 3.779 -3.533 10.195 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.699 -4.171 13.158 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.105 -2.735 12.350 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.311 -4.759 10.808 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.684 -3.842 10.180 1.00 0.00 H new ATOM 1053 N LEU A 68 6.427 -3.764 10.339 1.00 0.00 N ATOM 1054 CA LEU A 68 7.836 -3.396 10.475 1.00 0.00 C ATOM 1055 C LEU A 68 8.427 -3.003 9.115 1.00 0.00 C ATOM 1056 O LEU A 68 8.819 -1.852 8.920 1.00 0.00 O ATOM 1057 CB LEU A 68 8.637 -4.552 11.093 1.00 0.00 C ATOM 1058 CG LEU A 68 8.676 -4.581 12.626 1.00 0.00 C ATOM 1059 CD1 LEU A 68 9.355 -5.850 13.123 1.00 0.00 C ATOM 1060 CD2 LEU A 68 9.384 -3.347 13.170 1.00 0.00 C ATOM 0 H LEU A 68 6.167 -4.079 9.404 1.00 0.00 H new ATOM 0 HA LEU A 68 7.901 -2.535 11.140 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.216 -5.493 10.740 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.660 -4.502 10.721 1.00 0.00 H new ATOM 0 HG LEU A 68 7.649 -4.576 12.992 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.372 -5.851 14.213 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.803 -6.721 12.768 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.376 -5.889 12.744 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.401 -3.388 14.259 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.406 -3.318 12.792 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.853 -2.451 12.848 1.00 0.00 H new ATOM 1072 N PRO A 69 8.497 -3.950 8.150 1.00 0.00 N ATOM 1073 CA PRO A 69 9.042 -3.677 6.808 1.00 0.00 C ATOM 1074 C PRO A 69 8.205 -2.659 6.030 1.00 0.00 C ATOM 1075 O PRO A 69 7.274 -2.061 6.574 1.00 0.00 O ATOM 1076 CB PRO A 69 9.005 -5.047 6.119 1.00 0.00 C ATOM 1077 CG PRO A 69 7.968 -5.817 6.858 1.00 0.00 C ATOM 1078 CD PRO A 69 8.057 -5.354 8.282 1.00 0.00 C ATOM 0 HA PRO A 69 10.039 -3.239 6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.750 -4.952 5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.975 -5.541 6.169 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.976 -5.631 6.447 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.149 -6.889 6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.096 -5.429 8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.769 -5.948 8.855 1.00 0.00 H new ATOM 1086 N THR A 70 8.544 -2.459 4.753 1.00 0.00 N ATOM 1087 CA THR A 70 7.825 -1.504 3.911 1.00 0.00 C ATOM 1088 C THR A 70 7.632 -2.045 2.492 1.00 0.00 C ATOM 1089 O THR A 70 8.334 -2.961 2.066 1.00 0.00 O ATOM 1090 CB THR A 70 8.581 -0.171 3.864 1.00 0.00 C ATOM 1091 OG1 THR A 70 9.302 0.049 5.065 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.672 1.019 3.652 1.00 0.00 C ATOM 0 H THR A 70 9.308 -2.944 4.283 1.00 0.00 H new ATOM 0 HA THR A 70 6.839 -1.347 4.349 1.00 0.00 H new ATOM 0 HB THR A 70 9.257 -0.255 3.013 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.777 0.905 5.010 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.267 1.932 3.628 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.141 0.907 2.707 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.952 1.077 4.468 1.00 0.00 H new ATOM 1100 N VAL A 71 6.670 -1.467 1.768 1.00 0.00 N ATOM 1101 CA VAL A 71 6.369 -1.880 0.395 1.00 0.00 C ATOM 1102 C VAL A 71 5.988 -0.670 -0.465 1.00 0.00 C ATOM 1103 O VAL A 71 5.591 0.372 0.060 1.00 0.00 O ATOM 1104 CB VAL A 71 5.216 -2.911 0.358 1.00 0.00 C ATOM 1105 CG1 VAL A 71 5.125 -3.575 -1.008 1.00 0.00 C ATOM 1106 CG2 VAL A 71 5.387 -3.960 1.448 1.00 0.00 C ATOM 0 H VAL A 71 6.083 -0.707 2.113 1.00 0.00 H new ATOM 0 HA VAL A 71 7.270 -2.343 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 71 4.285 -2.375 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.307 -4.295 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.941 -2.817 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.061 -4.089 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.563 -4.672 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.331 -4.486 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.390 -3.474 2.424 1.00 0.00 H new ATOM 1116 N THR A 72 6.114 -0.807 -1.788 1.00 0.00 N ATOM 1117 CA THR A 72 5.786 0.287 -2.708 1.00 0.00 C ATOM 1118 C THR A 72 4.273 0.468 -2.858 1.00 0.00 C ATOM 1119 O THR A 72 3.517 -0.505 -2.830 1.00 0.00 O ATOM 1120 CB THR A 72 6.410 0.048 -4.091 1.00 0.00 C ATOM 1121 OG1 THR A 72 6.421 -1.335 -4.416 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.827 0.569 -4.211 1.00 0.00 C ATOM 0 H THR A 72 6.439 -1.659 -2.245 1.00 0.00 H new ATOM 0 HA THR A 72 6.202 1.197 -2.277 1.00 0.00 H new ATOM 0 HB THR A 72 5.780 0.604 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.671 -1.448 -5.357 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.205 0.367 -5.213 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.836 1.644 -4.030 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.461 0.072 -3.477 1.00 0.00 H new ATOM 1130 N PRO A 73 3.816 1.726 -3.039 1.00 0.00 N ATOM 1131 CA PRO A 73 2.392 2.047 -3.212 1.00 0.00 C ATOM 1132 C PRO A 73 1.890 1.710 -4.616 1.00 0.00 C ATOM 1133 O PRO A 73 0.731 1.331 -4.798 1.00 0.00 O ATOM 1134 CB PRO A 73 2.352 3.555 -2.987 1.00 0.00 C ATOM 1135 CG PRO A 73 3.684 4.031 -3.450 1.00 0.00 C ATOM 1136 CD PRO A 73 4.659 2.939 -3.102 1.00 0.00 C ATOM 0 HA PRO A 73 1.756 1.477 -2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.545 4.020 -3.552 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.186 3.796 -1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.679 4.222 -4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.955 4.967 -2.961 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.441 2.845 -3.855 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.155 3.132 -2.151 1.00 0.00 H new ATOM 1144 N THR A 74 2.781 1.850 -5.602 1.00 0.00 N ATOM 1145 CA THR A 74 2.454 1.561 -7.004 1.00 0.00 C ATOM 1146 C THR A 74 1.898 0.143 -7.174 1.00 0.00 C ATOM 1147 O THR A 74 1.271 -0.159 -8.191 1.00 0.00 O ATOM 1148 CB THR A 74 3.684 1.747 -7.899 1.00 0.00 C ATOM 1149 OG1 THR A 74 4.786 0.997 -7.412 1.00 0.00 O ATOM 1150 CG2 THR A 74 4.126 3.191 -8.028 1.00 0.00 C ATOM 0 H THR A 74 3.740 2.164 -5.455 1.00 0.00 H new ATOM 0 HA THR A 74 1.682 2.268 -7.307 1.00 0.00 H new ATOM 0 HB THR A 74 3.374 1.393 -8.882 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.558 1.130 -8.000 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.001 3.247 -8.675 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.318 3.782 -8.459 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.378 3.584 -7.043 1.00 0.00 H new ATOM 1158 N TYR A 75 2.124 -0.720 -6.174 1.00 0.00 N ATOM 1159 CA TYR A 75 1.634 -2.101 -6.206 1.00 0.00 C ATOM 1160 C TYR A 75 0.189 -2.169 -6.715 1.00 0.00 C ATOM 1161 O TYR A 75 -0.162 -3.064 -7.482 1.00 0.00 O ATOM 1162 CB TYR A 75 1.712 -2.715 -4.803 1.00 0.00 C ATOM 1163 CG TYR A 75 2.137 -4.169 -4.783 1.00 0.00 C ATOM 1164 CD1 TYR A 75 1.531 -5.109 -5.608 1.00 0.00 C ATOM 1165 CD2 TYR A 75 3.144 -4.602 -3.928 1.00 0.00 C ATOM 1166 CE1 TYR A 75 1.916 -6.434 -5.584 1.00 0.00 C ATOM 1167 CE2 TYR A 75 3.535 -5.927 -3.899 1.00 0.00 C ATOM 1168 CZ TYR A 75 2.919 -6.840 -4.727 1.00 0.00 C ATOM 1169 OH TYR A 75 3.307 -8.160 -4.697 1.00 0.00 O ATOM 0 H TYR A 75 2.646 -0.483 -5.330 1.00 0.00 H new ATOM 0 HA TYR A 75 2.266 -2.665 -6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.414 -2.135 -4.204 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.736 -2.627 -4.326 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.745 -4.797 -6.280 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.629 -3.891 -3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.434 -7.150 -6.233 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.320 -6.246 -3.230 1.00 0.00 H new ATOM 0 HH TYR A 75 2.853 -8.651 -5.413 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.638 -1.211 -6.289 1.00 0.00 N ATOM 1180 CA ILE A 76 -2.041 -1.160 -6.704 1.00 0.00 C ATOM 1181 C ILE A 76 -2.169 -1.080 -8.227 1.00 0.00 C ATOM 1182 O ILE A 76 -2.975 -1.793 -8.821 1.00 0.00 O ATOM 1183 CB ILE A 76 -2.779 0.044 -6.076 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.663 0.012 -4.546 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.242 0.052 -6.500 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.262 -1.226 -3.911 1.00 0.00 C ATOM 0 H ILE A 76 -0.360 -0.460 -5.657 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.501 -2.083 -6.350 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.310 0.960 -6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.611 0.077 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.155 0.894 -4.136 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.747 0.906 -6.049 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.306 0.125 -7.586 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.722 -0.869 -6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.141 -1.175 -2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.323 -1.283 -4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.754 -2.112 -4.291 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.369 -0.215 -8.854 1.00 0.00 N ATOM 1199 CA LYS A 77 -1.399 -0.061 -10.309 1.00 0.00 C ATOM 1200 C LYS A 77 -1.126 -1.395 -11.011 1.00 0.00 C ATOM 1201 O LYS A 77 -1.679 -1.667 -12.077 1.00 0.00 O ATOM 1202 CB LYS A 77 -0.371 0.984 -10.756 1.00 0.00 C ATOM 1203 CG LYS A 77 -0.665 1.594 -12.118 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.863 2.532 -12.069 1.00 0.00 C ATOM 1205 CE LYS A 77 -1.814 3.571 -13.183 1.00 0.00 C ATOM 1206 NZ LYS A 77 -0.558 4.374 -13.152 1.00 0.00 N ATOM 0 H LYS A 77 -0.696 0.387 -8.379 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.397 0.277 -10.589 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.331 1.781 -10.013 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.616 0.521 -10.781 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.211 2.140 -12.469 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.855 0.799 -12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.782 1.952 -12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.891 3.036 -11.103 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.899 3.071 -14.148 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.671 4.238 -13.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.789 5.384 -13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.066 4.215 -12.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.059 4.085 -13.938 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.275 -2.226 -10.402 1.00 0.00 N ATOM 1221 CA ALA A 78 0.064 -3.534 -10.962 1.00 0.00 C ATOM 1222 C ALA A 78 -0.875 -4.632 -10.452 1.00 0.00 C ATOM 1223 O ALA A 78 -0.970 -5.698 -11.056 1.00 0.00 O ATOM 1224 CB ALA A 78 1.507 -3.888 -10.636 1.00 0.00 C ATOM 0 H ALA A 78 0.191 -2.014 -9.520 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.057 -3.470 -12.043 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.747 -4.864 -11.058 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.171 -3.136 -11.061 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.639 -3.919 -9.554 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.562 -4.370 -9.340 1.00 0.00 N ATOM 1231 CA CYS A 79 -2.484 -5.346 -8.762 1.00 0.00 C ATOM 1232 C CYS A 79 -3.902 -5.161 -9.302 1.00 0.00 C ATOM 1233 O CYS A 79 -4.644 -6.129 -9.456 1.00 0.00 O ATOM 1234 CB CYS A 79 -2.492 -5.232 -7.237 1.00 0.00 C ATOM 1235 SG CYS A 79 -2.818 -6.791 -6.379 1.00 0.00 S ATOM 0 H CYS A 79 -1.498 -3.493 -8.823 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.137 -6.339 -9.048 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.528 -4.844 -6.908 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.247 -4.503 -6.942 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.802 -6.591 -5.095 1.00 0.00 H new ATOM 1241 N CYS A 80 -4.274 -3.914 -9.578 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.605 -3.607 -10.094 1.00 0.00 C ATOM 1243 C CYS A 80 -5.647 -3.701 -11.621 1.00 0.00 C ATOM 1244 O CYS A 80 -6.676 -4.059 -12.195 1.00 0.00 O ATOM 1245 CB CYS A 80 -6.035 -2.208 -9.646 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.795 -2.067 -9.254 1.00 0.00 S ATOM 0 H CYS A 80 -3.673 -3.100 -9.453 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.298 -4.345 -9.690 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.454 -1.925 -8.768 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.791 -1.495 -10.433 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.061 -0.850 -8.884 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.530 -3.371 -12.269 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.452 -3.413 -13.731 1.00 0.00 C ATOM 1254 C GLN A 81 -3.801 -4.704 -14.227 1.00 0.00 C ATOM 1255 O GLN A 81 -4.299 -5.337 -15.159 1.00 0.00 O ATOM 1256 CB GLN A 81 -3.680 -2.202 -14.263 1.00 0.00 C ATOM 1257 CG GLN A 81 -4.163 -0.873 -13.703 1.00 0.00 C ATOM 1258 CD GLN A 81 -3.798 0.305 -14.587 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -2.655 0.437 -15.027 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -4.769 1.173 -14.848 1.00 0.00 N ATOM 0 H GLN A 81 -3.670 -3.073 -11.808 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.473 -3.384 -14.111 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.623 -2.323 -14.025 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.762 -2.179 -15.350 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.246 -0.908 -13.580 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.734 -0.724 -12.712 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.702 1.025 -14.463 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.582 1.987 -15.433 1.00 0.00 H new ATOM 1269 N SER A 82 -2.684 -5.091 -13.608 1.00 0.00 N ATOM 1270 CA SER A 82 -1.972 -6.308 -14.003 1.00 0.00 C ATOM 1271 C SER A 82 -2.484 -7.538 -13.249 1.00 0.00 C ATOM 1272 O SER A 82 -2.286 -8.667 -13.700 1.00 0.00 O ATOM 1273 CB SER A 82 -0.465 -6.153 -13.772 1.00 0.00 C ATOM 1274 OG SER A 82 0.268 -6.513 -14.931 1.00 0.00 O ATOM 0 H SER A 82 -2.255 -4.582 -12.835 1.00 0.00 H new ATOM 0 HA SER A 82 -2.161 -6.458 -15.066 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.240 -5.122 -13.501 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.156 -6.778 -12.934 1.00 0.00 H new ATOM 0 HG SER A 82 0.664 -5.710 -15.330 1.00 0.00 H new ATOM 1280 N ASN A 83 -3.138 -7.314 -12.104 1.00 0.00 N ATOM 1281 CA ASN A 83 -3.675 -8.399 -11.290 1.00 0.00 C ATOM 1282 C ASN A 83 -2.556 -9.295 -10.751 1.00 0.00 C ATOM 1283 O ASN A 83 -2.123 -9.133 -9.609 1.00 0.00 O ATOM 1284 CB ASN A 83 -4.692 -9.212 -12.094 1.00 0.00 C ATOM 1285 CG ASN A 83 -6.007 -8.475 -12.279 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -6.069 -7.249 -12.167 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -7.068 -9.219 -12.565 1.00 0.00 N ATOM 0 H ASN A 83 -3.307 -6.383 -11.722 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.185 -7.962 -10.431 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.272 -9.450 -13.071 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.878 -10.159 -11.588 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.978 -8.779 -12.701 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.974 -10.231 -12.649 1.00 0.00 H new ATOM 1294 N SER A 84 -2.088 -10.235 -11.574 1.00 0.00 N ATOM 1295 CA SER A 84 -1.021 -11.142 -11.170 1.00 0.00 C ATOM 1296 C SER A 84 -0.081 -11.434 -12.336 1.00 0.00 C ATOM 1297 O SER A 84 -0.461 -12.090 -13.309 1.00 0.00 O ATOM 1298 CB SER A 84 -1.615 -12.440 -10.618 1.00 0.00 C ATOM 1299 OG SER A 84 -2.152 -13.251 -11.651 1.00 0.00 O ATOM 0 H SER A 84 -2.433 -10.385 -12.522 1.00 0.00 H new ATOM 0 HA SER A 84 -0.439 -10.660 -10.384 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.844 -12.995 -10.083 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.397 -12.205 -9.896 1.00 0.00 H new ATOM 0 HG SER A 84 -1.893 -12.885 -12.522 1.00 0.00 H new ATOM 1305 N LEU A 85 1.149 -10.938 -12.230 1.00 0.00 N ATOM 1306 CA LEU A 85 2.152 -11.132 -13.272 1.00 0.00 C ATOM 1307 C LEU A 85 3.516 -10.620 -12.817 1.00 0.00 C ATOM 1308 O LEU A 85 4.525 -11.312 -12.963 1.00 0.00 O ATOM 1309 CB LEU A 85 1.723 -10.417 -14.557 1.00 0.00 C ATOM 1310 CG LEU A 85 2.701 -10.526 -15.730 1.00 0.00 C ATOM 1311 CD1 LEU A 85 2.805 -11.969 -16.210 1.00 0.00 C ATOM 1312 CD2 LEU A 85 2.265 -9.613 -16.868 1.00 0.00 C ATOM 0 H LEU A 85 1.475 -10.397 -11.429 1.00 0.00 H new ATOM 0 HA LEU A 85 2.236 -12.201 -13.470 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.760 -10.819 -14.871 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.570 -9.362 -14.331 1.00 0.00 H new ATOM 0 HG LEU A 85 3.687 -10.209 -15.389 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.505 -12.026 -17.044 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.161 -12.599 -15.395 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.824 -12.316 -16.535 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.969 -9.701 -17.695 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.270 -9.903 -17.206 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.243 -8.581 -16.518 1.00 0.00 H new ATOM 1324 N LEU A 86 3.542 -9.407 -12.266 1.00 0.00 N ATOM 1325 CA LEU A 86 4.789 -8.812 -11.794 1.00 0.00 C ATOM 1326 C LEU A 86 4.753 -8.591 -10.283 1.00 0.00 C ATOM 1327 O LEU A 86 4.445 -7.498 -9.804 1.00 0.00 O ATOM 1328 CB LEU A 86 5.069 -7.493 -12.528 1.00 0.00 C ATOM 1329 CG LEU A 86 3.933 -6.467 -12.498 1.00 0.00 C ATOM 1330 CD1 LEU A 86 4.489 -5.063 -12.333 1.00 0.00 C ATOM 1331 CD2 LEU A 86 3.091 -6.562 -13.763 1.00 0.00 C ATOM 0 H LEU A 86 2.718 -8.821 -12.136 1.00 0.00 H new ATOM 0 HA LEU A 86 5.599 -9.507 -12.013 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.958 -7.037 -12.093 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.303 -7.719 -13.568 1.00 0.00 H new ATOM 0 HG LEU A 86 3.294 -6.688 -11.643 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.668 -4.346 -12.314 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.047 -5.000 -11.399 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.151 -4.833 -13.168 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.289 -5.825 -13.722 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.718 -6.368 -14.633 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.662 -7.561 -13.840 1.00 0.00 H new ATOM 1343 N ASN A 87 5.078 -9.644 -9.533 1.00 0.00 N ATOM 1344 CA ASN A 87 5.095 -9.576 -8.073 1.00 0.00 C ATOM 1345 C ASN A 87 6.444 -9.078 -7.573 1.00 0.00 C ATOM 1346 O ASN A 87 6.518 -8.418 -6.540 1.00 0.00 O ATOM 1347 CB ASN A 87 4.786 -10.949 -7.463 1.00 0.00 C ATOM 1348 CG ASN A 87 4.364 -10.858 -6.007 1.00 0.00 C ATOM 1349 OD1 ASN A 87 3.174 -10.873 -5.691 1.00 0.00 O ATOM 1350 ND2 ASN A 87 5.340 -10.763 -5.108 1.00 0.00 N ATOM 0 H ASN A 87 5.333 -10.555 -9.914 1.00 0.00 H new ATOM 0 HA ASN A 87 4.324 -8.872 -7.760 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.994 -11.428 -8.038 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.668 -11.585 -7.543 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.115 -10.699 -4.115 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.314 -10.754 -5.411 1.00 0.00 H new ATOM 1357 N MET A 88 7.506 -9.390 -8.316 1.00 0.00 N ATOM 1358 CA MET A 88 8.855 -8.965 -7.951 1.00 0.00 C ATOM 1359 C MET A 88 8.918 -7.454 -7.702 1.00 0.00 C ATOM 1360 O MET A 88 9.821 -6.972 -7.019 1.00 0.00 O ATOM 1361 CB MET A 88 9.851 -9.354 -9.045 1.00 0.00 C ATOM 1362 CG MET A 88 10.098 -10.852 -9.140 1.00 0.00 C ATOM 1363 SD MET A 88 11.790 -11.248 -9.622 1.00 0.00 S ATOM 1364 CE MET A 88 11.680 -13.025 -9.821 1.00 0.00 C ATOM 0 H MET A 88 7.457 -9.937 -9.176 1.00 0.00 H new ATOM 0 HA MET A 88 9.122 -9.474 -7.025 1.00 0.00 H new ATOM 0 HB2 MET A 88 9.482 -8.994 -10.005 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.799 -8.849 -8.858 1.00 0.00 H new ATOM 0 HG2 MET A 88 9.881 -11.314 -8.177 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.407 -11.285 -9.864 1.00 0.00 H new ATOM 0 HE1 MET A 88 12.652 -13.419 -10.119 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.379 -13.479 -8.877 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.942 -13.260 -10.588 1.00 0.00 H new ATOM 1374 N GLU A 89 7.952 -6.713 -8.254 1.00 0.00 N ATOM 1375 CA GLU A 89 7.899 -5.262 -8.088 1.00 0.00 C ATOM 1376 C GLU A 89 7.484 -4.847 -6.679 1.00 0.00 C ATOM 1377 O GLU A 89 7.390 -3.651 -6.400 1.00 0.00 O ATOM 1378 CB GLU A 89 6.956 -4.640 -9.122 1.00 0.00 C ATOM 1379 CG GLU A 89 7.665 -4.100 -10.354 1.00 0.00 C ATOM 1380 CD GLU A 89 8.410 -2.807 -10.080 1.00 0.00 C ATOM 1381 OE1 GLU A 89 7.766 -1.826 -9.651 1.00 0.00 O ATOM 1382 OE2 GLU A 89 9.640 -2.777 -10.292 1.00 0.00 O ATOM 0 H GLU A 89 7.196 -7.098 -8.820 1.00 0.00 H new ATOM 0 HA GLU A 89 8.910 -4.888 -8.248 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.228 -5.389 -9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.399 -3.830 -8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.367 -4.848 -10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.934 -3.933 -11.145 1.00 0.00 H new ATOM 1389 N ASN A 90 7.268 -5.817 -5.784 1.00 0.00 N ATOM 1390 CA ASN A 90 6.906 -5.495 -4.407 1.00 0.00 C ATOM 1391 C ASN A 90 7.851 -4.422 -3.868 1.00 0.00 C ATOM 1392 O ASN A 90 7.458 -3.598 -3.041 1.00 0.00 O ATOM 1393 CB ASN A 90 6.948 -6.740 -3.495 1.00 0.00 C ATOM 1394 CG ASN A 90 7.984 -7.778 -3.907 1.00 0.00 C ATOM 1395 OD1 ASN A 90 7.637 -8.880 -4.325 1.00 0.00 O ATOM 1396 ND2 ASN A 90 9.263 -7.442 -3.780 1.00 0.00 N ATOM 0 H ASN A 90 7.337 -6.814 -5.987 1.00 0.00 H new ATOM 0 HA ASN A 90 5.882 -5.123 -4.407 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.155 -6.422 -2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.963 -7.207 -3.490 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.993 -8.108 -4.033 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.515 -6.518 -3.429 1.00 0.00 H new ATOM 1403 N TYR A 91 9.101 -4.438 -4.362 1.00 0.00 N ATOM 1404 CA TYR A 91 10.120 -3.477 -3.962 1.00 0.00 C ATOM 1405 C TYR A 91 10.049 -3.201 -2.465 1.00 0.00 C ATOM 1406 O TYR A 91 10.198 -2.063 -2.012 1.00 0.00 O ATOM 1407 CB TYR A 91 9.975 -2.189 -4.777 1.00 0.00 C ATOM 1408 CG TYR A 91 11.222 -1.335 -4.779 1.00 0.00 C ATOM 1409 CD1 TYR A 91 12.368 -1.756 -5.439 1.00 0.00 C ATOM 1410 CD2 TYR A 91 11.254 -0.113 -4.120 1.00 0.00 C ATOM 1411 CE1 TYR A 91 13.511 -0.984 -5.441 1.00 0.00 C ATOM 1412 CE2 TYR A 91 12.393 0.665 -4.118 1.00 0.00 C ATOM 1413 CZ TYR A 91 13.520 0.226 -4.779 1.00 0.00 C ATOM 1414 OH TYR A 91 14.660 0.997 -4.778 1.00 0.00 O ATOM 0 H TYR A 91 9.424 -5.120 -5.048 1.00 0.00 H new ATOM 0 HA TYR A 91 11.103 -3.901 -4.167 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.718 -2.445 -5.805 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.145 -1.606 -4.377 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.365 -2.703 -5.959 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.373 0.234 -3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 91 14.395 -1.326 -5.959 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.402 1.613 -3.601 1.00 0.00 H new ATOM 0 HH TYR A 91 14.499 1.818 -4.268 1.00 0.00 H new ATOM 1424 N LEU A 92 9.816 -4.266 -1.708 1.00 0.00 N ATOM 1425 CA LEU A 92 9.720 -4.168 -0.255 1.00 0.00 C ATOM 1426 C LEU A 92 11.073 -3.824 0.357 1.00 0.00 C ATOM 1427 O LEU A 92 12.119 -4.238 -0.148 1.00 0.00 O ATOM 1428 CB LEU A 92 9.180 -5.467 0.363 1.00 0.00 C ATOM 1429 CG LEU A 92 9.790 -6.773 -0.164 1.00 0.00 C ATOM 1430 CD1 LEU A 92 11.219 -6.940 0.336 1.00 0.00 C ATOM 1431 CD2 LEU A 92 8.939 -7.966 0.253 1.00 0.00 C ATOM 0 H LEU A 92 9.690 -5.209 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 92 9.017 -3.366 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.338 -5.425 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.103 -5.502 0.200 1.00 0.00 H new ATOM 0 HG LEU A 92 9.811 -6.725 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.633 -7.872 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.826 -6.103 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.223 -6.964 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.386 -8.883 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.887 -8.013 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.934 -7.856 -0.154 1.00 0.00 H new ATOM 1443 N VAL A 93 11.043 -3.064 1.446 1.00 0.00 N ATOM 1444 CA VAL A 93 12.265 -2.662 2.130 1.00 0.00 C ATOM 1445 C VAL A 93 12.299 -3.203 3.559 1.00 0.00 C ATOM 1446 O VAL A 93 11.414 -2.906 4.366 1.00 0.00 O ATOM 1447 CB VAL A 93 12.418 -1.126 2.159 1.00 0.00 C ATOM 1448 CG1 VAL A 93 13.793 -0.737 2.681 1.00 0.00 C ATOM 1449 CG2 VAL A 93 12.187 -0.538 0.772 1.00 0.00 C ATOM 0 H VAL A 93 10.186 -2.714 1.874 1.00 0.00 H new ATOM 0 HA VAL A 93 13.097 -3.086 1.568 1.00 0.00 H new ATOM 0 HB VAL A 93 11.665 -0.719 2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 93 13.883 0.349 2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 93 13.921 -1.124 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.561 -1.157 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 93 12.299 0.545 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.916 -0.952 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.181 -0.786 0.435 1.00 0.00 H new ATOM 1459 N PRO A 94 13.329 -4.009 3.891 1.00 0.00 N ATOM 1460 CA PRO A 94 13.481 -4.595 5.228 1.00 0.00 C ATOM 1461 C PRO A 94 13.901 -3.560 6.266 1.00 0.00 C ATOM 1462 O PRO A 94 14.508 -2.540 5.932 1.00 0.00 O ATOM 1463 CB PRO A 94 14.586 -5.637 5.031 1.00 0.00 C ATOM 1464 CG PRO A 94 15.398 -5.110 3.901 1.00 0.00 C ATOM 1465 CD PRO A 94 14.426 -4.411 2.988 1.00 0.00 C ATOM 0 HA PRO A 94 12.546 -5.011 5.604 1.00 0.00 H new ATOM 0 HB2 PRO A 94 15.188 -5.752 5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 94 14.170 -6.617 4.798 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.164 -4.421 4.258 1.00 0.00 H new ATOM 0 HG3 PRO A 94 15.913 -5.917 3.380 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.882 -3.548 2.502 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.072 -5.072 2.197 1.00 0.00 H new