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 64 ASN : amide:sc= -0.191 K(o=-0.17,f=-0.77) USER MOD Set 1.2: A 66 THR OG1 : rot -104:sc= 0.0178 USER MOD Set 2.1: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 87 ASN : amide:sc= 0.138 X(o=-1.9,f=-2) USER MOD Set 2.4: A 90 ASN : amide:sc= -2.03 X(o=-1.9,f=-2.3!) USER MOD Single : A 12 SER OG : rot 53:sc= -0.926 USER MOD Single : A 13 ASN : amide:sc= -0.412 X(o=-0.41,f=-5e-05) USER MOD Single : A 14 MET CE :methyl -144:sc= -0.273 (180deg=-1.43!) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= -0.733 (180deg=-1.38) USER MOD Single : A 17 TYR OH : rot 0:sc= -0.432 USER MOD Single : A 19 ASN : amide:sc=-0.00991 X(o=-0.0099,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.381 USER MOD Single : A 29 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.022) USER MOD Single : A 41 ASN : amide:sc= -1.82 K(o=-1.8,f=-4.5!) 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 45:sc= 1.13 USER MOD Single : A 54 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.139) USER MOD Single : A 56 ASN : amide:sc= -1.16 X(o=-1.2,f=-0.84) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -2 K(o=-2,f=-2.5) USER MOD Single : A 67 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0707 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0556) USER MOD Single : A 79 CYS SG : rot 5:sc= 0.00205 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 82 SER OG : rot 170:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 40:sc= 0.63 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 -7.934 -11.185 -2.059 1.00 0.00 N ATOM 155 CA LEU A 11 -8.411 -9.981 -1.389 1.00 0.00 C ATOM 156 C LEU A 11 -8.605 -10.235 0.104 1.00 0.00 C ATOM 157 O LEU A 11 -8.405 -11.356 0.576 1.00 0.00 O ATOM 158 CB LEU A 11 -9.728 -9.511 -2.024 1.00 0.00 C ATOM 159 CG LEU A 11 -10.734 -10.623 -2.348 1.00 0.00 C ATOM 160 CD1 LEU A 11 -12.008 -10.449 -1.534 1.00 0.00 C ATOM 161 CD2 LEU A 11 -11.050 -10.639 -3.836 1.00 0.00 C ATOM 0 HA LEU A 11 -7.661 -9.199 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.204 -8.799 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.497 -8.973 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.285 -11.579 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.708 -11.248 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.769 -10.489 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.461 -9.485 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.765 -11.434 -4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.477 -9.680 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.134 -10.815 -4.401 1.00 0.00 H new ATOM 173 N SER A 12 -9.007 -9.188 0.834 1.00 0.00 N ATOM 174 CA SER A 12 -9.251 -9.275 2.278 1.00 0.00 C ATOM 175 C SER A 12 -8.144 -10.037 3.018 1.00 0.00 C ATOM 176 O SER A 12 -8.225 -11.256 3.189 1.00 0.00 O ATOM 177 CB SER A 12 -10.612 -9.933 2.546 1.00 0.00 C ATOM 178 OG SER A 12 -10.910 -10.923 1.577 1.00 0.00 O ATOM 0 H SER A 12 -9.172 -8.261 0.442 1.00 0.00 H new ATOM 0 HA SER A 12 -9.253 -8.255 2.663 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.611 -10.383 3.539 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.392 -9.172 2.542 1.00 0.00 H new ATOM 0 HG SER A 12 -10.164 -11.555 1.515 1.00 0.00 H new ATOM 184 N ASN A 13 -7.120 -9.310 3.473 1.00 0.00 N ATOM 185 CA ASN A 13 -6.011 -9.923 4.209 1.00 0.00 C ATOM 186 C ASN A 13 -5.438 -8.962 5.258 1.00 0.00 C ATOM 187 O ASN A 13 -5.743 -9.087 6.446 1.00 0.00 O ATOM 188 CB ASN A 13 -4.912 -10.389 3.244 1.00 0.00 C ATOM 189 CG ASN A 13 -4.589 -11.862 3.415 1.00 0.00 C ATOM 190 OD1 ASN A 13 -5.404 -12.728 3.098 1.00 0.00 O ATOM 191 ND2 ASN A 13 -3.393 -12.157 3.917 1.00 0.00 N ATOM 0 H ASN A 13 -7.036 -8.301 3.346 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.402 -10.794 4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.229 -10.205 2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.011 -9.799 3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.123 -13.131 4.052 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.746 -11.409 4.167 1.00 0.00 H new ATOM 198 N MET A 14 -4.611 -8.009 4.819 1.00 0.00 N ATOM 199 CA MET A 14 -4.007 -7.036 5.730 1.00 0.00 C ATOM 200 C MET A 14 -3.278 -5.934 4.960 1.00 0.00 C ATOM 201 O MET A 14 -2.514 -6.213 4.038 1.00 0.00 O ATOM 202 CB MET A 14 -3.039 -7.730 6.693 1.00 0.00 C ATOM 203 CG MET A 14 -2.903 -7.019 8.030 1.00 0.00 C ATOM 204 SD MET A 14 -4.275 -7.370 9.147 1.00 0.00 S ATOM 205 CE MET A 14 -5.286 -5.905 8.927 1.00 0.00 C ATOM 0 H MET A 14 -4.346 -7.892 3.841 1.00 0.00 H new ATOM 0 HA MET A 14 -4.811 -6.577 6.305 1.00 0.00 H new ATOM 0 HB2 MET A 14 -3.380 -8.751 6.866 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.057 -7.797 6.224 1.00 0.00 H new ATOM 0 HG2 MET A 14 -1.968 -7.320 8.503 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.843 -5.944 7.861 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.746 -5.634 9.877 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.663 -5.082 8.578 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.065 -6.107 8.191 1.00 0.00 H new ATOM 215 N LYS A 15 -3.520 -4.684 5.353 1.00 0.00 N ATOM 216 CA LYS A 15 -2.894 -3.530 4.717 1.00 0.00 C ATOM 217 C LYS A 15 -2.650 -2.425 5.743 1.00 0.00 C ATOM 218 O LYS A 15 -3.246 -2.425 6.820 1.00 0.00 O ATOM 219 CB LYS A 15 -3.765 -3.014 3.571 1.00 0.00 C ATOM 220 CG LYS A 15 -2.962 -2.446 2.413 1.00 0.00 C ATOM 221 CD LYS A 15 -3.862 -1.925 1.302 1.00 0.00 C ATOM 222 CE LYS A 15 -4.843 -2.986 0.826 1.00 0.00 C ATOM 223 NZ LYS A 15 -6.213 -2.774 1.379 1.00 0.00 N ATOM 0 H LYS A 15 -4.152 -4.446 6.117 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.933 -3.839 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.391 -3.828 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.435 -2.243 3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.326 -1.638 2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.303 -3.217 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.413 -1.054 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.250 -1.594 0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.887 -2.976 -0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.482 -3.971 1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.751 -3.662 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.144 -2.474 2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.700 -2.038 0.828 1.00 0.00 H new ATOM 237 N PHE A 16 -1.765 -1.491 5.410 1.00 0.00 N ATOM 238 CA PHE A 16 -1.438 -0.390 6.311 1.00 0.00 C ATOM 239 C PHE A 16 -0.862 0.790 5.529 1.00 0.00 C ATOM 240 O PHE A 16 0.037 0.615 4.713 1.00 0.00 O ATOM 241 CB PHE A 16 -0.456 -0.891 7.374 1.00 0.00 C ATOM 242 CG PHE A 16 0.025 0.165 8.333 1.00 0.00 C ATOM 243 CD1 PHE A 16 -0.866 1.054 8.915 1.00 0.00 C ATOM 244 CD2 PHE A 16 1.368 0.258 8.658 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.425 2.014 9.805 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.815 1.218 9.546 1.00 0.00 C ATOM 247 CZ PHE A 16 0.918 2.096 10.120 1.00 0.00 C ATOM 0 H PHE A 16 -1.261 -1.474 4.523 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.343 -0.038 6.806 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.933 -1.689 7.943 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.408 -1.329 6.874 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.916 0.995 8.670 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.074 -0.427 8.213 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.129 2.699 10.254 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.865 1.281 9.791 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.265 2.846 10.815 1.00 0.00 H new ATOM 257 N TYR A 17 -1.401 1.987 5.763 1.00 0.00 N ATOM 258 CA TYR A 17 -0.944 3.180 5.051 1.00 0.00 C ATOM 259 C TYR A 17 -0.371 4.228 6.004 1.00 0.00 C ATOM 260 O TYR A 17 -1.106 4.867 6.755 1.00 0.00 O ATOM 261 CB TYR A 17 -2.104 3.781 4.254 1.00 0.00 C ATOM 262 CG TYR A 17 -2.201 3.290 2.824 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.744 2.028 2.456 1.00 0.00 C ATOM 264 CD2 TYR A 17 -2.763 4.090 1.844 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.843 1.586 1.152 1.00 0.00 C ATOM 266 CE2 TYR A 17 -2.871 3.655 0.536 1.00 0.00 C ATOM 267 CZ TYR A 17 -2.409 2.403 0.195 1.00 0.00 C ATOM 268 OH TYR A 17 -2.516 1.964 -1.104 1.00 0.00 O ATOM 0 H TYR A 17 -2.149 2.156 6.435 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.145 2.878 4.374 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.038 3.554 4.768 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.000 4.866 4.247 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.305 1.384 3.203 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.124 5.073 2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.479 0.606 0.882 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.315 4.293 -0.214 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.150 1.058 -1.174 1.00 0.00 H new ATOM 278 N LEU A 18 0.948 4.403 5.956 1.00 0.00 N ATOM 279 CA LEU A 18 1.634 5.376 6.803 1.00 0.00 C ATOM 280 C LEU A 18 3.014 5.704 6.220 1.00 0.00 C ATOM 281 O LEU A 18 4.037 5.251 6.730 1.00 0.00 O ATOM 282 CB LEU A 18 1.765 4.829 8.233 1.00 0.00 C ATOM 283 CG LEU A 18 1.327 5.784 9.351 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.187 5.941 9.371 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.821 5.284 10.702 1.00 0.00 C ATOM 0 H LEU A 18 1.566 3.880 5.335 1.00 0.00 H new ATOM 0 HA LEU A 18 1.048 6.294 6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.176 3.915 8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.805 4.552 8.403 1.00 0.00 H new ATOM 0 HG LEU A 18 1.770 6.760 9.153 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.472 6.623 10.172 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.524 6.343 8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.651 4.969 9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.502 5.973 11.484 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.406 4.295 10.898 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.909 5.225 10.692 1.00 0.00 H new ATOM 297 N ASN A 19 3.033 6.479 5.135 1.00 0.00 N ATOM 298 CA ASN A 19 4.289 6.852 4.473 1.00 0.00 C ATOM 299 C ASN A 19 5.258 7.527 5.448 1.00 0.00 C ATOM 300 O ASN A 19 4.852 7.996 6.513 1.00 0.00 O ATOM 301 CB ASN A 19 4.010 7.769 3.281 1.00 0.00 C ATOM 302 CG ASN A 19 3.205 7.076 2.194 1.00 0.00 C ATOM 303 OD1 ASN A 19 3.762 6.395 1.333 1.00 0.00 O ATOM 304 ND2 ASN A 19 1.886 7.246 2.226 1.00 0.00 N ATOM 0 H ASN A 19 2.196 6.861 4.695 1.00 0.00 H new ATOM 0 HA ASN A 19 4.761 5.937 4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.469 8.651 3.623 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.955 8.116 2.864 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.298 6.804 1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.463 7.818 2.957 1.00 0.00 H new ATOM 311 N ARG A 20 6.543 7.566 5.080 1.00 0.00 N ATOM 312 CA ARG A 20 7.566 8.180 5.926 1.00 0.00 C ATOM 313 C ARG A 20 7.531 9.701 5.796 1.00 0.00 C ATOM 314 O ARG A 20 6.805 10.247 4.962 1.00 0.00 O ATOM 315 CB ARG A 20 8.963 7.663 5.557 1.00 0.00 C ATOM 316 CG ARG A 20 9.056 6.147 5.440 1.00 0.00 C ATOM 317 CD ARG A 20 10.139 5.728 4.457 1.00 0.00 C ATOM 318 NE ARG A 20 11.456 5.641 5.090 1.00 0.00 N ATOM 319 CZ ARG A 20 11.859 4.612 5.843 1.00 0.00 C ATOM 320 NH1 ARG A 20 11.048 3.583 6.074 1.00 0.00 N ATOM 321 NH2 ARG A 20 13.078 4.618 6.372 1.00 0.00 N ATOM 0 H ARG A 20 6.896 7.180 4.204 1.00 0.00 H new ATOM 0 HA ARG A 20 7.351 7.906 6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.265 8.109 4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.675 8.003 6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.267 5.718 6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.095 5.747 5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.881 4.761 4.025 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.179 6.444 3.636 1.00 0.00 H new ATOM 0 HE ARG A 20 12.107 6.413 4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.109 3.574 5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.365 2.803 6.650 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.703 5.406 6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.388 3.835 6.947 1.00 0.00 H new ATOM 397 N ASP A 26 5.969 9.304 -3.532 1.00 0.00 N ATOM 398 CA ASP A 26 5.090 8.931 -4.638 1.00 0.00 C ATOM 399 C ASP A 26 3.715 9.580 -4.482 1.00 0.00 C ATOM 400 O ASP A 26 3.269 10.323 -5.356 1.00 0.00 O ATOM 401 CB ASP A 26 4.944 7.407 -4.718 1.00 0.00 C ATOM 402 CG ASP A 26 4.347 6.949 -6.036 1.00 0.00 C ATOM 403 OD1 ASP A 26 3.109 7.017 -6.183 1.00 0.00 O ATOM 404 OD2 ASP A 26 5.119 6.517 -6.919 1.00 0.00 O ATOM 0 HA ASP A 26 5.541 9.291 -5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.922 6.944 -4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.314 7.062 -3.898 1.00 0.00 H new ATOM 409 N SER A 27 3.051 9.291 -3.361 1.00 0.00 N ATOM 410 CA SER A 27 1.727 9.842 -3.084 1.00 0.00 C ATOM 411 C SER A 27 1.414 9.794 -1.588 1.00 0.00 C ATOM 412 O SER A 27 2.135 9.163 -0.811 1.00 0.00 O ATOM 413 CB SER A 27 0.659 9.069 -3.863 1.00 0.00 C ATOM 414 OG SER A 27 -0.196 9.950 -4.574 1.00 0.00 O ATOM 0 H SER A 27 3.411 8.677 -2.630 1.00 0.00 H new ATOM 0 HA SER A 27 1.722 10.884 -3.403 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.139 8.383 -4.560 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.070 8.463 -3.174 1.00 0.00 H new ATOM 0 HG SER A 27 -0.867 9.430 -5.064 1.00 0.00 H new ATOM 420 N LEU A 28 0.331 10.464 -1.190 1.00 0.00 N ATOM 421 CA LEU A 28 -0.082 10.499 0.211 1.00 0.00 C ATOM 422 C LEU A 28 -1.601 10.415 0.334 1.00 0.00 C ATOM 423 O LEU A 28 -2.135 9.455 0.887 1.00 0.00 O ATOM 424 CB LEU A 28 0.427 11.774 0.887 1.00 0.00 C ATOM 425 CG LEU A 28 1.951 11.900 0.982 1.00 0.00 C ATOM 426 CD1 LEU A 28 2.523 12.498 -0.296 1.00 0.00 C ATOM 427 CD2 LEU A 28 2.340 12.741 2.187 1.00 0.00 C ATOM 0 H LEU A 28 -0.275 10.990 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 28 0.354 9.634 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.041 12.634 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.011 11.823 1.893 1.00 0.00 H new ATOM 0 HG LEU A 28 2.371 10.902 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.606 12.579 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.275 11.856 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.098 13.489 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.426 12.821 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.907 13.737 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.966 12.269 3.096 1.00 0.00 H new ATOM 439 N ASN A 29 -2.293 11.427 -0.189 1.00 0.00 N ATOM 440 CA ASN A 29 -3.753 11.463 -0.144 1.00 0.00 C ATOM 441 C ASN A 29 -4.359 10.793 -1.379 1.00 0.00 C ATOM 442 O ASN A 29 -5.397 10.138 -1.292 1.00 0.00 O ATOM 443 CB ASN A 29 -4.253 12.908 -0.034 1.00 0.00 C ATOM 444 CG ASN A 29 -5.729 12.990 0.318 1.00 0.00 C ATOM 445 OD1 ASN A 29 -6.509 13.634 -0.382 1.00 0.00 O ATOM 446 ND2 ASN A 29 -6.120 12.338 1.409 1.00 0.00 N ATOM 0 H ASN A 29 -1.866 12.231 -0.648 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.072 10.910 0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.673 13.433 0.725 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.080 13.422 -0.980 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.099 12.360 1.693 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -5.441 11.815 1.962 1.00 0.00 H new ATOM 453 N ASP A 30 -3.704 10.968 -2.531 1.00 0.00 N ATOM 454 CA ASP A 30 -4.177 10.388 -3.790 1.00 0.00 C ATOM 455 C ASP A 30 -4.327 8.871 -3.690 1.00 0.00 C ATOM 456 O ASP A 30 -5.247 8.296 -4.274 1.00 0.00 O ATOM 457 CB ASP A 30 -3.224 10.741 -4.934 1.00 0.00 C ATOM 458 CG ASP A 30 -3.785 11.813 -5.846 1.00 0.00 C ATOM 459 OD1 ASP A 30 -4.806 11.550 -6.517 1.00 0.00 O ATOM 460 OD2 ASP A 30 -3.202 12.916 -5.892 1.00 0.00 O ATOM 0 H ASP A 30 -2.843 11.508 -2.617 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.160 10.813 -3.996 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.275 11.081 -4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.015 9.845 -5.518 1.00 0.00 H new ATOM 465 N ILE A 31 -3.425 8.228 -2.944 1.00 0.00 N ATOM 466 CA ILE A 31 -3.482 6.773 -2.772 1.00 0.00 C ATOM 467 C ILE A 31 -4.818 6.339 -2.176 1.00 0.00 C ATOM 468 O ILE A 31 -5.264 5.218 -2.408 1.00 0.00 O ATOM 469 CB ILE A 31 -2.346 6.235 -1.884 1.00 0.00 C ATOM 470 CG1 ILE A 31 -2.248 7.047 -0.592 1.00 0.00 C ATOM 471 CG2 ILE A 31 -1.030 6.245 -2.647 1.00 0.00 C ATOM 472 CD1 ILE A 31 -1.119 6.615 0.319 1.00 0.00 C ATOM 0 H ILE A 31 -2.655 8.684 -2.455 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.366 6.352 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.568 5.203 -1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.116 8.099 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.190 6.965 -0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.235 5.862 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.118 5.615 -3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.792 7.265 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.115 7.238 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.260 5.572 0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.168 6.724 -0.203 1.00 0.00 H new ATOM 484 N ASP A 32 -5.464 7.233 -1.424 1.00 0.00 N ATOM 485 CA ASP A 32 -6.763 6.928 -0.828 1.00 0.00 C ATOM 486 C ASP A 32 -7.767 6.562 -1.919 1.00 0.00 C ATOM 487 O ASP A 32 -8.714 5.809 -1.681 1.00 0.00 O ATOM 488 CB ASP A 32 -7.277 8.123 -0.021 1.00 0.00 C ATOM 489 CG ASP A 32 -8.555 7.814 0.733 1.00 0.00 C ATOM 490 OD1 ASP A 32 -8.471 7.246 1.841 1.00 0.00 O ATOM 491 OD2 ASP A 32 -9.644 8.139 0.213 1.00 0.00 O ATOM 0 H ASP A 32 -5.111 8.167 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.645 6.079 -0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.509 8.435 0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.451 8.963 -0.694 1.00 0.00 H new ATOM 496 N GLN A 33 -7.545 7.096 -3.121 1.00 0.00 N ATOM 497 CA GLN A 33 -8.415 6.826 -4.255 1.00 0.00 C ATOM 498 C GLN A 33 -8.041 5.510 -4.938 1.00 0.00 C ATOM 499 O GLN A 33 -8.916 4.701 -5.250 1.00 0.00 O ATOM 500 CB GLN A 33 -8.352 7.983 -5.257 1.00 0.00 C ATOM 501 CG GLN A 33 -9.422 7.914 -6.335 1.00 0.00 C ATOM 502 CD GLN A 33 -10.022 9.272 -6.653 1.00 0.00 C ATOM 503 OE1 GLN A 33 -10.031 9.705 -7.803 1.00 0.00 O ATOM 504 NE2 GLN A 33 -10.527 9.953 -5.628 1.00 0.00 N ATOM 0 H GLN A 33 -6.765 7.720 -3.330 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.436 6.733 -3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.451 8.925 -4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.370 7.989 -5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.991 7.490 -7.242 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.214 7.238 -6.012 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.499 9.556 -4.689 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.942 10.872 -5.781 1.00 0.00 H new ATOM 513 N LEU A 34 -6.743 5.291 -5.155 1.00 0.00 N ATOM 514 CA LEU A 34 -6.280 4.055 -5.790 1.00 0.00 C ATOM 515 C LEU A 34 -6.425 2.864 -4.838 1.00 0.00 C ATOM 516 O LEU A 34 -6.519 1.715 -5.276 1.00 0.00 O ATOM 517 CB LEU A 34 -4.828 4.196 -6.257 1.00 0.00 C ATOM 518 CG LEU A 34 -3.767 4.183 -5.152 1.00 0.00 C ATOM 519 CD1 LEU A 34 -3.355 2.760 -4.810 1.00 0.00 C ATOM 520 CD2 LEU A 34 -2.557 5.001 -5.572 1.00 0.00 C ATOM 0 H LEU A 34 -6.001 5.944 -4.904 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.905 3.871 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.610 3.386 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.734 5.129 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.200 4.633 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.601 2.779 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.226 2.202 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.943 2.278 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.812 4.983 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.129 4.577 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.861 6.031 -5.760 1.00 0.00 H new ATOM 532 N ALA A 35 -6.459 3.152 -3.537 1.00 0.00 N ATOM 533 CA ALA A 35 -6.608 2.117 -2.516 1.00 0.00 C ATOM 534 C ALA A 35 -8.078 1.897 -2.156 1.00 0.00 C ATOM 535 O ALA A 35 -8.425 0.891 -1.536 1.00 0.00 O ATOM 536 CB ALA A 35 -5.804 2.474 -1.274 1.00 0.00 C ATOM 0 H ALA A 35 -6.385 4.099 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.222 1.185 -2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.927 1.692 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.750 2.563 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.159 3.422 -0.871 1.00 0.00 H new ATOM 542 N ARG A 36 -8.941 2.837 -2.558 1.00 0.00 N ATOM 543 CA ARG A 36 -10.375 2.740 -2.288 1.00 0.00 C ATOM 544 C ARG A 36 -10.976 1.491 -2.939 1.00 0.00 C ATOM 545 O ARG A 36 -12.035 1.018 -2.527 1.00 0.00 O ATOM 546 CB ARG A 36 -11.089 3.992 -2.801 1.00 0.00 C ATOM 547 CG ARG A 36 -12.028 4.619 -1.784 1.00 0.00 C ATOM 548 CD ARG A 36 -13.091 5.468 -2.461 1.00 0.00 C ATOM 549 NE ARG A 36 -14.214 5.752 -1.572 1.00 0.00 N ATOM 550 CZ ARG A 36 -15.133 4.849 -1.217 1.00 0.00 C ATOM 551 NH1 ARG A 36 -15.059 3.595 -1.659 1.00 0.00 N ATOM 552 NH2 ARG A 36 -16.129 5.206 -0.412 1.00 0.00 N ATOM 0 H ARG A 36 -8.668 3.674 -3.072 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.514 2.661 -1.210 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.343 4.730 -3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.656 3.735 -3.696 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.506 3.835 -1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.456 5.235 -1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.647 6.406 -2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.454 4.953 -3.350 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.302 6.697 -1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.295 3.316 -2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.766 2.914 -1.382 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.189 6.165 -0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.833 4.521 -0.138 1.00 0.00 H new ATOM 566 N LEU A 37 -10.296 0.972 -3.960 1.00 0.00 N ATOM 567 CA LEU A 37 -10.757 -0.214 -4.671 1.00 0.00 C ATOM 568 C LEU A 37 -10.346 -1.501 -3.950 1.00 0.00 C ATOM 569 O LEU A 37 -11.091 -2.483 -3.954 1.00 0.00 O ATOM 570 CB LEU A 37 -10.205 -0.207 -6.098 1.00 0.00 C ATOM 571 CG LEU A 37 -11.113 0.447 -7.144 1.00 0.00 C ATOM 572 CD1 LEU A 37 -11.198 1.950 -6.911 1.00 0.00 C ATOM 573 CD2 LEU A 37 -10.612 0.146 -8.550 1.00 0.00 C ATOM 0 H LEU A 37 -9.420 1.358 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.846 -0.188 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.246 0.311 -6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.011 -1.236 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.114 0.028 -7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.847 2.399 -7.663 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.606 2.142 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.202 2.386 -6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.270 0.619 -9.280 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.601 0.535 -8.667 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.607 -0.932 -8.711 1.00 0.00 H new ATOM 585 N ILE A 38 -9.161 -1.497 -3.334 1.00 0.00 N ATOM 586 CA ILE A 38 -8.671 -2.675 -2.620 1.00 0.00 C ATOM 587 C ILE A 38 -9.179 -2.712 -1.175 1.00 0.00 C ATOM 588 O ILE A 38 -9.383 -3.791 -0.615 1.00 0.00 O ATOM 589 CB ILE A 38 -7.127 -2.743 -2.624 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.606 -2.899 -4.058 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.646 -3.895 -1.748 1.00 0.00 C ATOM 592 CD1 ILE A 38 -5.130 -3.230 -4.143 1.00 0.00 C ATOM 0 H ILE A 38 -8.529 -0.697 -3.316 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.062 -3.542 -3.152 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.733 -1.813 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.174 -3.685 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.793 -1.975 -4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.557 -3.931 -1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.993 -3.744 -0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.044 -4.834 -2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.838 -3.324 -5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.551 -2.434 -3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.938 -4.170 -3.626 1.00 0.00 H new ATOM 604 N ARG A 39 -9.396 -1.539 -0.580 1.00 0.00 N ATOM 605 CA ARG A 39 -9.894 -1.460 0.790 1.00 0.00 C ATOM 606 C ARG A 39 -11.360 -1.873 0.842 1.00 0.00 C ATOM 607 O ARG A 39 -11.841 -2.357 1.867 1.00 0.00 O ATOM 608 CB ARG A 39 -9.723 -0.045 1.357 1.00 0.00 C ATOM 609 CG ARG A 39 -10.456 1.030 0.564 1.00 0.00 C ATOM 610 CD ARG A 39 -11.440 1.804 1.431 1.00 0.00 C ATOM 611 NE ARG A 39 -12.418 0.925 2.080 1.00 0.00 N ATOM 612 CZ ARG A 39 -13.642 1.308 2.447 1.00 0.00 C ATOM 613 NH1 ARG A 39 -14.053 2.556 2.236 1.00 0.00 N ATOM 614 NH2 ARG A 39 -14.460 0.439 3.030 1.00 0.00 N ATOM 0 H ARG A 39 -9.235 -0.635 -1.024 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.309 -2.145 1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.081 -0.031 2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.661 0.199 1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.731 1.720 0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.990 0.568 -0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.892 2.359 2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.964 2.537 0.817 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.145 -0.041 2.262 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.430 3.230 1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.991 2.839 2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.152 -0.519 3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.396 0.730 3.311 1.00 0.00 H new ATOM 628 N ALA A 40 -12.061 -1.687 -0.278 1.00 0.00 N ATOM 629 CA ALA A 40 -13.468 -2.050 -0.371 1.00 0.00 C ATOM 630 C ALA A 40 -13.634 -3.531 -0.731 1.00 0.00 C ATOM 631 O ALA A 40 -14.695 -4.116 -0.514 1.00 0.00 O ATOM 632 CB ALA A 40 -14.178 -1.174 -1.394 1.00 0.00 C ATOM 0 H ALA A 40 -11.673 -1.286 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.922 -1.886 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.229 -1.459 -1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.101 -0.129 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.713 -1.306 -2.371 1.00 0.00 H new ATOM 638 N ASN A 41 -12.571 -4.126 -1.280 1.00 0.00 N ATOM 639 CA ASN A 41 -12.582 -5.534 -1.674 1.00 0.00 C ATOM 640 C ASN A 41 -12.732 -6.461 -0.462 1.00 0.00 C ATOM 641 O ASN A 41 -13.266 -7.564 -0.581 1.00 0.00 O ATOM 642 CB ASN A 41 -11.284 -5.877 -2.416 1.00 0.00 C ATOM 643 CG ASN A 41 -11.458 -7.013 -3.411 1.00 0.00 C ATOM 644 OD1 ASN A 41 -12.476 -7.706 -3.411 1.00 0.00 O ATOM 645 ND2 ASN A 41 -10.460 -7.212 -4.266 1.00 0.00 N ATOM 0 H ASN A 41 -11.688 -3.649 -1.462 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.440 -5.687 -2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.926 -4.991 -2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.517 -6.149 -1.691 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.521 -7.961 -4.955 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.633 -6.615 -4.233 1.00 0.00 H new ATOM 652 N GLY A 42 -12.255 -6.009 0.697 1.00 0.00 N ATOM 653 CA GLY A 42 -12.342 -6.818 1.904 1.00 0.00 C ATOM 654 C GLY A 42 -11.173 -6.598 2.853 1.00 0.00 C ATOM 655 O GLY A 42 -11.275 -6.903 4.044 1.00 0.00 O ATOM 0 H GLY A 42 -11.811 -5.099 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.272 -6.587 2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.384 -7.871 1.627 1.00 0.00 H new ATOM 659 N GLY A 43 -10.062 -6.069 2.333 1.00 0.00 N ATOM 660 CA GLY A 43 -8.896 -5.819 3.166 1.00 0.00 C ATOM 661 C GLY A 43 -9.119 -4.676 4.139 1.00 0.00 C ATOM 662 O GLY A 43 -10.258 -4.313 4.430 1.00 0.00 O ATOM 0 H GLY A 43 -9.951 -5.811 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.648 -6.723 3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.040 -5.591 2.531 1.00 0.00 H new ATOM 666 N GLU A 44 -8.029 -4.101 4.642 1.00 0.00 N ATOM 667 CA GLU A 44 -8.126 -2.995 5.582 1.00 0.00 C ATOM 668 C GLU A 44 -6.898 -2.101 5.500 1.00 0.00 C ATOM 669 O GLU A 44 -5.774 -2.552 5.723 1.00 0.00 O ATOM 670 CB GLU A 44 -8.302 -3.511 7.013 1.00 0.00 C ATOM 671 CG GLU A 44 -8.740 -2.436 7.997 1.00 0.00 C ATOM 672 CD GLU A 44 -10.194 -2.042 7.830 1.00 0.00 C ATOM 673 OE1 GLU A 44 -10.524 -1.397 6.811 1.00 0.00 O ATOM 674 OE2 GLU A 44 -11.005 -2.376 8.719 1.00 0.00 O ATOM 0 H GLU A 44 -7.076 -4.383 4.414 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.003 -2.407 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.039 -4.314 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.361 -3.942 7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.580 -2.794 9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.112 -1.554 7.867 1.00 0.00 H new ATOM 681 N VAL A 45 -7.127 -0.834 5.179 1.00 0.00 N ATOM 682 CA VAL A 45 -6.049 0.139 5.061 1.00 0.00 C ATOM 683 C VAL A 45 -6.455 1.494 5.640 1.00 0.00 C ATOM 684 O VAL A 45 -7.605 1.917 5.502 1.00 0.00 O ATOM 685 CB VAL A 45 -5.621 0.325 3.591 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.758 0.904 2.759 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.390 1.207 3.504 1.00 0.00 C ATOM 0 H VAL A 45 -8.056 -0.455 4.995 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.207 -0.253 5.631 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.373 -0.655 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.429 1.025 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.613 0.228 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.047 1.874 3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.102 1.328 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.611 2.184 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.571 0.744 4.055 1.00 0.00 H new ATOM 697 N LEU A 46 -5.504 2.171 6.281 1.00 0.00 N ATOM 698 CA LEU A 46 -5.759 3.483 6.875 1.00 0.00 C ATOM 699 C LEU A 46 -4.866 4.544 6.231 1.00 0.00 C ATOM 700 O LEU A 46 -3.695 4.671 6.586 1.00 0.00 O ATOM 701 CB LEU A 46 -5.524 3.440 8.392 1.00 0.00 C ATOM 702 CG LEU A 46 -6.036 2.182 9.107 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.706 2.238 10.594 1.00 0.00 C ATOM 704 CD2 LEU A 46 -7.536 2.016 8.900 1.00 0.00 C ATOM 0 H LEU A 46 -4.549 1.833 6.403 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.800 3.747 6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.454 3.532 8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.002 4.311 8.840 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.533 1.317 8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.077 1.337 11.083 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.626 2.303 10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.179 3.114 11.039 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.877 1.118 9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.057 2.885 9.302 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.748 1.926 7.835 1.00 0.00 H new ATOM 716 N ASP A 47 -5.422 5.295 5.277 1.00 0.00 N ATOM 717 CA ASP A 47 -4.665 6.338 4.576 1.00 0.00 C ATOM 718 C ASP A 47 -4.374 7.523 5.498 1.00 0.00 C ATOM 719 O ASP A 47 -5.216 8.406 5.670 1.00 0.00 O ATOM 720 CB ASP A 47 -5.423 6.827 3.330 1.00 0.00 C ATOM 721 CG ASP A 47 -5.919 5.692 2.454 1.00 0.00 C ATOM 722 OD1 ASP A 47 -6.964 5.093 2.784 1.00 0.00 O ATOM 723 OD2 ASP A 47 -5.258 5.399 1.439 1.00 0.00 O ATOM 0 H ASP A 47 -6.391 5.202 4.972 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.719 5.897 4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.272 7.434 3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.769 7.472 2.743 1.00 0.00 H new ATOM 728 N SER A 48 -3.178 7.540 6.088 1.00 0.00 N ATOM 729 CA SER A 48 -2.784 8.624 6.987 1.00 0.00 C ATOM 730 C SER A 48 -1.449 9.233 6.560 1.00 0.00 C ATOM 731 O SER A 48 -0.450 8.525 6.420 1.00 0.00 O ATOM 732 CB SER A 48 -2.691 8.126 8.436 1.00 0.00 C ATOM 733 OG SER A 48 -3.484 6.969 8.644 1.00 0.00 O ATOM 0 H SER A 48 -2.468 6.818 5.960 1.00 0.00 H new ATOM 0 HA SER A 48 -3.552 9.395 6.929 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.652 7.904 8.679 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.015 8.916 9.114 1.00 0.00 H new ATOM 0 HG SER A 48 -3.400 6.678 9.576 1.00 0.00 H new ATOM 739 N LYS A 49 -1.443 10.552 6.354 1.00 0.00 N ATOM 740 CA LYS A 49 -0.233 11.269 5.946 1.00 0.00 C ATOM 741 C LYS A 49 0.847 11.184 7.030 1.00 0.00 C ATOM 742 O LYS A 49 0.537 11.068 8.216 1.00 0.00 O ATOM 743 CB LYS A 49 -0.552 12.740 5.649 1.00 0.00 C ATOM 744 CG LYS A 49 -1.173 12.975 4.278 1.00 0.00 C ATOM 745 CD LYS A 49 -0.731 14.305 3.684 1.00 0.00 C ATOM 746 CE LYS A 49 -1.906 15.076 3.099 1.00 0.00 C ATOM 747 NZ LYS A 49 -1.465 16.299 2.368 1.00 0.00 N ATOM 0 H LYS A 49 -2.265 11.146 6.463 1.00 0.00 H new ATOM 0 HA LYS A 49 0.144 10.796 5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.232 13.115 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.366 13.323 5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.891 12.164 3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.260 12.956 4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.248 14.906 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.012 14.128 2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.462 14.429 2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.589 15.359 3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.296 16.794 1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.957 16.929 3.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.834 16.028 1.587 1.00 0.00 H new ATOM 761 N PRO A 50 2.135 11.244 6.631 1.00 0.00 N ATOM 762 CA PRO A 50 3.264 11.176 7.572 1.00 0.00 C ATOM 763 C PRO A 50 3.310 12.372 8.522 1.00 0.00 C ATOM 764 O PRO A 50 2.725 13.421 8.244 1.00 0.00 O ATOM 765 CB PRO A 50 4.495 11.172 6.660 1.00 0.00 C ATOM 766 CG PRO A 50 4.032 11.780 5.383 1.00 0.00 C ATOM 767 CD PRO A 50 2.591 11.383 5.236 1.00 0.00 C ATOM 0 HA PRO A 50 3.194 10.302 8.220 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.312 11.747 7.097 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.866 10.159 6.503 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.138 12.865 5.406 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.624 11.420 4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.018 12.139 4.699 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.485 10.450 4.683 1.00 0.00 H new ATOM 775 N ARG A 51 4.014 12.206 9.642 1.00 0.00 N ATOM 776 CA ARG A 51 4.144 13.270 10.636 1.00 0.00 C ATOM 777 C ARG A 51 5.439 13.128 11.429 1.00 0.00 C ATOM 778 O ARG A 51 6.347 13.952 11.302 1.00 0.00 O ATOM 779 CB ARG A 51 2.945 13.257 11.589 1.00 0.00 C ATOM 780 CG ARG A 51 2.756 14.557 12.352 1.00 0.00 C ATOM 781 CD ARG A 51 1.777 15.484 11.645 1.00 0.00 C ATOM 782 NE ARG A 51 0.634 15.836 12.491 1.00 0.00 N ATOM 783 CZ ARG A 51 -0.527 16.307 12.027 1.00 0.00 C ATOM 784 NH1 ARG A 51 -0.708 16.499 10.723 1.00 0.00 N ATOM 785 NH2 ARG A 51 -1.511 16.594 12.872 1.00 0.00 N ATOM 0 H ARG A 51 4.503 11.344 9.883 1.00 0.00 H new ATOM 0 HA ARG A 51 4.170 14.222 10.106 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.041 13.047 11.018 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.068 12.442 12.302 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.392 14.341 13.356 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.718 15.058 12.462 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.296 16.394 11.342 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.418 15.004 10.735 1.00 0.00 H new ATOM 0 HE ARG A 51 0.731 15.714 13.499 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.044 16.286 10.067 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.598 16.859 10.379 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.380 16.455 13.874 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.398 16.954 12.519 1.00 0.00 H new ATOM 799 N GLU A 52 5.520 12.080 12.248 1.00 0.00 N ATOM 800 CA GLU A 52 6.706 11.834 13.059 1.00 0.00 C ATOM 801 C GLU A 52 7.708 10.980 12.290 1.00 0.00 C ATOM 802 O GLU A 52 7.383 9.879 11.843 1.00 0.00 O ATOM 803 CB GLU A 52 6.329 11.135 14.368 1.00 0.00 C ATOM 804 CG GLU A 52 5.477 11.985 15.299 1.00 0.00 C ATOM 805 CD GLU A 52 5.929 11.899 16.747 1.00 0.00 C ATOM 806 OE1 GLU A 52 6.049 10.768 17.268 1.00 0.00 O ATOM 807 OE2 GLU A 52 6.161 12.962 17.359 1.00 0.00 O ATOM 0 H GLU A 52 4.778 11.390 12.366 1.00 0.00 H new ATOM 0 HA GLU A 52 7.163 12.796 13.292 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.790 10.217 14.136 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.241 10.846 14.890 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.514 13.024 14.972 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.437 11.665 15.227 1.00 0.00 H new ATOM 814 N SER A 53 8.923 11.492 12.139 1.00 0.00 N ATOM 815 CA SER A 53 9.969 10.775 11.420 1.00 0.00 C ATOM 816 C SER A 53 10.854 9.989 12.390 1.00 0.00 C ATOM 817 O SER A 53 11.780 10.535 12.990 1.00 0.00 O ATOM 818 CB SER A 53 10.807 11.756 10.596 1.00 0.00 C ATOM 819 OG SER A 53 11.551 12.630 11.431 1.00 0.00 O ATOM 0 H SER A 53 9.209 12.400 12.504 1.00 0.00 H new ATOM 0 HA SER A 53 9.499 10.062 10.742 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.487 11.202 9.949 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.154 12.339 9.947 1.00 0.00 H new ATOM 0 HG SER A 53 11.969 12.116 12.153 1.00 0.00 H new ATOM 825 N LYS A 54 10.546 8.704 12.546 1.00 0.00 N ATOM 826 CA LYS A 54 11.293 7.831 13.448 1.00 0.00 C ATOM 827 C LYS A 54 11.303 6.384 12.946 1.00 0.00 C ATOM 828 O LYS A 54 11.415 5.447 13.736 1.00 0.00 O ATOM 829 CB LYS A 54 10.669 7.896 14.841 1.00 0.00 C ATOM 830 CG LYS A 54 9.297 7.240 14.932 1.00 0.00 C ATOM 831 CD LYS A 54 8.819 7.132 16.374 1.00 0.00 C ATOM 832 CE LYS A 54 8.499 8.498 16.963 1.00 0.00 C ATOM 833 NZ LYS A 54 9.625 9.040 17.774 1.00 0.00 N ATOM 0 H LYS A 54 9.780 8.242 12.056 1.00 0.00 H new ATOM 0 HA LYS A 54 12.326 8.176 13.486 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.340 7.414 15.552 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.583 8.940 15.142 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.578 7.819 14.353 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.339 6.246 14.487 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.932 6.500 16.417 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.586 6.646 16.977 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.267 9.194 16.157 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.608 8.423 17.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.637 10.077 17.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.501 8.763 18.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.524 8.658 17.418 1.00 0.00 H new ATOM 847 N GLU A 55 11.172 6.212 11.630 1.00 0.00 N ATOM 848 CA GLU A 55 11.148 4.885 11.016 1.00 0.00 C ATOM 849 C GLU A 55 10.002 4.029 11.569 1.00 0.00 C ATOM 850 O GLU A 55 10.034 2.799 11.482 1.00 0.00 O ATOM 851 CB GLU A 55 12.491 4.172 11.213 1.00 0.00 C ATOM 852 CG GLU A 55 13.061 3.598 9.923 1.00 0.00 C ATOM 853 CD GLU A 55 14.551 3.840 9.758 1.00 0.00 C ATOM 854 OE1 GLU A 55 15.021 4.948 10.100 1.00 0.00 O ATOM 855 OE2 GLU A 55 15.249 2.923 9.279 1.00 0.00 O ATOM 0 H GLU A 55 11.080 6.981 10.966 1.00 0.00 H new ATOM 0 HA GLU A 55 10.978 5.021 9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.208 4.874 11.639 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.365 3.367 11.937 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.870 2.525 9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.534 4.036 9.076 1.00 0.00 H new ATOM 862 N ASN A 56 8.987 4.687 12.134 1.00 0.00 N ATOM 863 CA ASN A 56 7.832 3.988 12.694 1.00 0.00 C ATOM 864 C ASN A 56 6.684 3.941 11.691 1.00 0.00 C ATOM 865 O ASN A 56 5.914 2.979 11.665 1.00 0.00 O ATOM 866 CB ASN A 56 7.365 4.672 13.982 1.00 0.00 C ATOM 867 CG ASN A 56 8.014 4.085 15.223 1.00 0.00 C ATOM 868 OD1 ASN A 56 7.343 3.828 16.224 1.00 0.00 O ATOM 869 ND2 ASN A 56 9.324 3.871 15.169 1.00 0.00 N ATOM 0 H ASN A 56 8.943 5.703 12.215 1.00 0.00 H new ATOM 0 HA ASN A 56 8.137 2.967 12.922 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.592 5.737 13.927 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.282 4.581 14.065 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.811 3.480 15.976 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.843 4.098 14.321 1.00 0.00 H new ATOM 876 N VAL A 57 6.576 4.981 10.862 1.00 0.00 N ATOM 877 CA VAL A 57 5.524 5.052 9.854 1.00 0.00 C ATOM 878 C VAL A 57 5.916 4.266 8.603 1.00 0.00 C ATOM 879 O VAL A 57 6.925 4.567 7.963 1.00 0.00 O ATOM 880 CB VAL A 57 5.191 6.518 9.473 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.374 7.180 10.575 1.00 0.00 C ATOM 882 CG2 VAL A 57 6.456 7.325 9.196 1.00 0.00 C ATOM 0 H VAL A 57 7.205 5.784 10.871 1.00 0.00 H new ATOM 0 HA VAL A 57 4.631 4.604 10.291 1.00 0.00 H new ATOM 0 HB VAL A 57 4.601 6.497 8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.148 8.208 10.293 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.444 6.630 10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.945 7.176 11.504 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.185 8.347 8.932 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.084 7.335 10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.004 6.870 8.371 1.00 0.00 H new ATOM 892 N PHE A 58 5.110 3.260 8.255 1.00 0.00 N ATOM 893 CA PHE A 58 5.373 2.439 7.072 1.00 0.00 C ATOM 894 C PHE A 58 4.069 2.035 6.386 1.00 0.00 C ATOM 895 O PHE A 58 3.027 1.923 7.030 1.00 0.00 O ATOM 896 CB PHE A 58 6.187 1.188 7.436 1.00 0.00 C ATOM 897 CG PHE A 58 5.642 0.417 8.610 1.00 0.00 C ATOM 898 CD1 PHE A 58 4.645 -0.531 8.433 1.00 0.00 C ATOM 899 CD2 PHE A 58 6.131 0.638 9.886 1.00 0.00 C ATOM 900 CE1 PHE A 58 4.144 -1.239 9.511 1.00 0.00 C ATOM 901 CE2 PHE A 58 5.635 -0.066 10.966 1.00 0.00 C ATOM 902 CZ PHE A 58 4.641 -1.006 10.778 1.00 0.00 C ATOM 0 H PHE A 58 4.273 2.995 8.774 1.00 0.00 H new ATOM 0 HA PHE A 58 5.959 3.042 6.378 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.226 0.529 6.569 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.212 1.486 7.656 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.256 -0.718 7.443 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.910 1.370 10.039 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.366 -1.973 9.362 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.024 0.119 11.956 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.253 -1.558 11.621 1.00 0.00 H new ATOM 912 N ILE A 59 4.139 1.828 5.074 1.00 0.00 N ATOM 913 CA ILE A 59 2.971 1.442 4.291 1.00 0.00 C ATOM 914 C ILE A 59 3.089 -0.002 3.794 1.00 0.00 C ATOM 915 O ILE A 59 3.885 -0.298 2.903 1.00 0.00 O ATOM 916 CB ILE A 59 2.760 2.405 3.095 1.00 0.00 C ATOM 917 CG1 ILE A 59 1.519 2.008 2.289 1.00 0.00 C ATOM 918 CG2 ILE A 59 3.990 2.440 2.199 1.00 0.00 C ATOM 919 CD1 ILE A 59 1.033 3.091 1.349 1.00 0.00 C ATOM 0 H ILE A 59 4.996 1.922 4.530 1.00 0.00 H new ATOM 0 HA ILE A 59 2.102 1.508 4.946 1.00 0.00 H new ATOM 0 HB ILE A 59 2.603 3.406 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.743 1.111 1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.715 1.750 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.815 3.123 1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.850 2.782 2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.187 1.440 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.152 2.739 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.777 3.982 1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.820 3.333 0.635 1.00 0.00 H new ATOM 931 N VAL A 60 2.291 -0.898 4.378 1.00 0.00 N ATOM 932 CA VAL A 60 2.307 -2.309 3.996 1.00 0.00 C ATOM 933 C VAL A 60 1.204 -2.614 2.977 1.00 0.00 C ATOM 934 O VAL A 60 0.084 -2.110 3.087 1.00 0.00 O ATOM 935 CB VAL A 60 2.168 -3.245 5.234 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.739 -2.585 6.481 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.721 -3.654 5.477 1.00 0.00 C ATOM 0 H VAL A 60 1.626 -0.670 5.117 1.00 0.00 H new ATOM 0 HA VAL A 60 3.275 -2.504 3.535 1.00 0.00 H new ATOM 0 HB VAL A 60 2.740 -4.147 5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.630 -3.258 7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.795 -2.365 6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.201 -1.658 6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.669 -4.306 6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.116 -2.764 5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.341 -4.185 4.604 1.00 0.00 H new ATOM 947 N SER A 61 1.533 -3.439 1.980 1.00 0.00 N ATOM 948 CA SER A 61 0.578 -3.812 0.937 1.00 0.00 C ATOM 949 C SER A 61 -0.171 -5.095 1.304 1.00 0.00 C ATOM 950 O SER A 61 0.276 -5.858 2.163 1.00 0.00 O ATOM 951 CB SER A 61 1.296 -3.990 -0.403 1.00 0.00 C ATOM 952 OG SER A 61 1.436 -2.750 -1.074 1.00 0.00 O ATOM 0 H SER A 61 2.455 -3.861 1.874 1.00 0.00 H new ATOM 0 HA SER A 61 -0.151 -3.006 0.848 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.279 -4.430 -0.237 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.737 -4.685 -1.029 1.00 0.00 H new ATOM 0 HG SER A 61 1.899 -2.890 -1.926 1.00 0.00 H new ATOM 958 N PRO A 62 -1.327 -5.348 0.654 1.00 0.00 N ATOM 959 CA PRO A 62 -2.140 -6.542 0.913 1.00 0.00 C ATOM 960 C PRO A 62 -1.451 -7.826 0.481 1.00 0.00 C ATOM 961 O PRO A 62 -1.153 -8.017 -0.700 1.00 0.00 O ATOM 962 CB PRO A 62 -3.403 -6.317 0.085 1.00 0.00 C ATOM 963 CG PRO A 62 -3.004 -5.354 -0.981 1.00 0.00 C ATOM 964 CD PRO A 62 -1.929 -4.487 -0.382 1.00 0.00 C ATOM 0 HA PRO A 62 -2.331 -6.665 1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.765 -7.252 -0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.209 -5.914 0.698 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.635 -5.879 -1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.855 -4.753 -1.302 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.195 -4.185 -1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.342 -3.574 0.046 1.00 0.00 H new ATOM 972 N TYR A 63 -1.209 -8.706 1.449 1.00 0.00 N ATOM 973 CA TYR A 63 -0.557 -9.991 1.184 1.00 0.00 C ATOM 974 C TYR A 63 -0.286 -10.751 2.482 1.00 0.00 C ATOM 975 O TYR A 63 -0.932 -11.761 2.763 1.00 0.00 O ATOM 976 CB TYR A 63 0.758 -9.788 0.413 1.00 0.00 C ATOM 977 CG TYR A 63 0.823 -10.558 -0.887 1.00 0.00 C ATOM 978 CD1 TYR A 63 0.848 -11.947 -0.893 1.00 0.00 C ATOM 979 CD2 TYR A 63 0.860 -9.896 -2.109 1.00 0.00 C ATOM 980 CE1 TYR A 63 0.907 -12.655 -2.078 1.00 0.00 C ATOM 981 CE2 TYR A 63 0.917 -10.598 -3.298 1.00 0.00 C ATOM 982 CZ TYR A 63 0.940 -11.977 -3.278 1.00 0.00 C ATOM 983 OH TYR A 63 1.001 -12.680 -4.459 1.00 0.00 O ATOM 0 H TYR A 63 -1.454 -8.555 2.427 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.237 -10.583 0.572 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.886 -8.726 0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.591 -10.091 1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.821 -12.482 0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.844 -8.816 -2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.927 -13.735 -2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.943 -10.069 -4.239 1.00 0.00 H new ATOM 0 HH TYR A 63 1.016 -12.053 -5.212 1.00 0.00 H new ATOM 993 N ASN A 64 0.676 -10.262 3.264 1.00 0.00 N ATOM 994 CA ASN A 64 1.042 -10.891 4.529 1.00 0.00 C ATOM 995 C ASN A 64 1.092 -9.867 5.660 1.00 0.00 C ATOM 996 O ASN A 64 1.327 -8.679 5.426 1.00 0.00 O ATOM 997 CB ASN A 64 2.395 -11.597 4.394 1.00 0.00 C ATOM 998 CG ASN A 64 3.520 -10.641 4.042 1.00 0.00 C ATOM 999 OD1 ASN A 64 4.191 -10.103 4.922 1.00 0.00 O ATOM 1000 ND2 ASN A 64 3.731 -10.426 2.747 1.00 0.00 N ATOM 0 H ASN A 64 1.218 -9.427 3.040 1.00 0.00 H new ATOM 0 HA ASN A 64 0.277 -11.628 4.775 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.632 -12.102 5.330 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.324 -12.367 3.626 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.474 -9.793 2.449 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.150 -10.894 2.051 1.00 0.00 H new ATOM 1007 N HIS A 65 0.867 -10.332 6.887 1.00 0.00 N ATOM 1008 CA HIS A 65 0.883 -9.458 8.055 1.00 0.00 C ATOM 1009 C HIS A 65 2.318 -9.085 8.427 1.00 0.00 C ATOM 1010 O HIS A 65 3.122 -9.951 8.778 1.00 0.00 O ATOM 1011 CB HIS A 65 0.191 -10.138 9.243 1.00 0.00 C ATOM 1012 CG HIS A 65 -1.287 -10.336 9.057 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -1.844 -10.898 7.923 1.00 0.00 N ATOM 1014 CD2 HIS A 65 -2.327 -10.048 9.876 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -3.156 -10.943 8.055 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -3.475 -10.435 9.230 1.00 0.00 N ATOM 0 H HIS A 65 0.671 -11.311 7.097 1.00 0.00 H new ATOM 0 HA HIS A 65 0.339 -8.547 7.807 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.658 -11.107 9.416 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.357 -9.539 10.139 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.265 -9.597 10.856 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.851 -11.330 7.325 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.422 -10.344 9.599 1.00 0.00 H new ATOM 1025 N THR A 66 2.636 -7.794 8.340 1.00 0.00 N ATOM 1026 CA THR A 66 3.977 -7.305 8.662 1.00 0.00 C ATOM 1027 C THR A 66 3.912 -5.937 9.332 1.00 0.00 C ATOM 1028 O THR A 66 3.334 -4.996 8.784 1.00 0.00 O ATOM 1029 CB THR A 66 4.844 -7.224 7.398 1.00 0.00 C ATOM 1030 OG1 THR A 66 4.046 -7.081 6.231 1.00 0.00 O ATOM 1031 CG2 THR A 66 5.730 -8.437 7.207 1.00 0.00 C ATOM 0 H THR A 66 1.983 -7.067 8.049 1.00 0.00 H new ATOM 0 HA THR A 66 4.430 -8.013 9.356 1.00 0.00 H new ATOM 0 HB THR A 66 5.475 -6.347 7.542 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.016 -7.934 5.749 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.318 -8.319 6.297 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.400 -8.536 8.061 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.111 -9.331 7.126 1.00 0.00 H new ATOM 1039 N ASN A 67 4.508 -5.832 10.518 1.00 0.00 N ATOM 1040 CA ASN A 67 4.517 -4.573 11.260 1.00 0.00 C ATOM 1041 C ASN A 67 5.946 -4.079 11.476 1.00 0.00 C ATOM 1042 O ASN A 67 6.454 -4.071 12.599 1.00 0.00 O ATOM 1043 CB ASN A 67 3.795 -4.737 12.602 1.00 0.00 C ATOM 1044 CG ASN A 67 2.292 -4.592 12.463 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.694 -3.665 13.006 1.00 0.00 O ATOM 1046 ND2 ASN A 67 1.674 -5.511 11.729 1.00 0.00 N ATOM 0 H ASN A 67 4.989 -6.601 10.985 1.00 0.00 H new ATOM 0 HA ASN A 67 3.986 -3.826 10.670 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.027 -5.716 13.021 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.167 -3.993 13.306 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.664 -5.464 11.598 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.210 -6.263 11.296 1.00 0.00 H new ATOM 1053 N LEU A 68 6.583 -3.666 10.381 1.00 0.00 N ATOM 1054 CA LEU A 68 7.957 -3.161 10.421 1.00 0.00 C ATOM 1055 C LEU A 68 8.432 -2.746 9.023 1.00 0.00 C ATOM 1056 O LEU A 68 8.799 -1.590 8.810 1.00 0.00 O ATOM 1057 CB LEU A 68 8.908 -4.212 11.012 1.00 0.00 C ATOM 1058 CG LEU A 68 9.956 -3.666 11.989 1.00 0.00 C ATOM 1059 CD1 LEU A 68 10.082 -4.570 13.207 1.00 0.00 C ATOM 1060 CD2 LEU A 68 11.302 -3.516 11.291 1.00 0.00 C ATOM 0 H LEU A 68 6.167 -3.671 9.450 1.00 0.00 H new ATOM 0 HA LEU A 68 7.968 -2.281 11.064 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.314 -4.968 11.526 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.424 -4.714 10.193 1.00 0.00 H new ATOM 0 HG LEU A 68 9.630 -2.683 12.330 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.831 -4.163 13.886 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.121 -4.627 13.719 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.384 -5.568 12.890 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.036 -3.127 11.997 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.631 -4.488 10.923 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.203 -2.825 10.454 1.00 0.00 H new ATOM 1072 N PRO A 69 8.434 -3.683 8.048 1.00 0.00 N ATOM 1073 CA PRO A 69 8.871 -3.394 6.672 1.00 0.00 C ATOM 1074 C PRO A 69 7.945 -2.413 5.953 1.00 0.00 C ATOM 1075 O PRO A 69 6.964 -1.933 6.525 1.00 0.00 O ATOM 1076 CB PRO A 69 8.837 -4.766 5.989 1.00 0.00 C ATOM 1077 CG PRO A 69 7.864 -5.560 6.786 1.00 0.00 C ATOM 1078 CD PRO A 69 8.018 -5.091 8.204 1.00 0.00 C ATOM 0 HA PRO A 69 9.851 -2.918 6.652 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.522 -4.683 4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.822 -5.232 5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.846 -5.402 6.430 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.069 -6.627 6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.085 -5.176 8.760 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.765 -5.675 8.743 1.00 0.00 H new ATOM 1086 N THR A 70 8.269 -2.111 4.693 1.00 0.00 N ATOM 1087 CA THR A 70 7.474 -1.178 3.896 1.00 0.00 C ATOM 1088 C THR A 70 7.251 -1.713 2.480 1.00 0.00 C ATOM 1089 O THR A 70 7.925 -2.647 2.050 1.00 0.00 O ATOM 1090 CB THR A 70 8.170 0.190 3.835 1.00 0.00 C ATOM 1091 OG1 THR A 70 9.008 0.388 4.964 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.205 1.352 3.775 1.00 0.00 C ATOM 0 H THR A 70 9.076 -2.499 4.205 1.00 0.00 H new ATOM 0 HA THR A 70 6.502 -1.067 4.376 1.00 0.00 H new ATOM 0 HB THR A 70 8.751 0.170 2.913 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.441 1.265 4.900 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.764 2.287 3.734 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.582 1.262 2.885 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.573 1.346 4.663 1.00 0.00 H new ATOM 1100 N VAL A 71 6.300 -1.111 1.763 1.00 0.00 N ATOM 1101 CA VAL A 71 5.978 -1.517 0.394 1.00 0.00 C ATOM 1102 C VAL A 71 5.550 -0.305 -0.441 1.00 0.00 C ATOM 1103 O VAL A 71 5.132 0.714 0.107 1.00 0.00 O ATOM 1104 CB VAL A 71 4.850 -2.574 0.370 1.00 0.00 C ATOM 1105 CG1 VAL A 71 4.675 -3.158 -1.024 1.00 0.00 C ATOM 1106 CG2 VAL A 71 5.120 -3.683 1.377 1.00 0.00 C ATOM 0 H VAL A 71 5.736 -0.335 2.111 1.00 0.00 H new ATOM 0 HA VAL A 71 6.879 -1.956 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 71 3.924 -2.072 0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.875 -3.898 -1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.420 -2.361 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.604 -3.633 -1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.312 -4.413 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.063 -4.173 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.179 -3.258 2.379 1.00 0.00 H new ATOM 1116 N THR A 72 5.657 -0.416 -1.767 1.00 0.00 N ATOM 1117 CA THR A 72 5.278 0.681 -2.661 1.00 0.00 C ATOM 1118 C THR A 72 3.757 0.831 -2.742 1.00 0.00 C ATOM 1119 O THR A 72 3.034 -0.164 -2.827 1.00 0.00 O ATOM 1120 CB THR A 72 5.847 0.457 -4.067 1.00 0.00 C ATOM 1121 OG1 THR A 72 6.054 -0.921 -4.317 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.164 1.170 -4.306 1.00 0.00 C ATOM 0 H THR A 72 6.001 -1.250 -2.244 1.00 0.00 H new ATOM 0 HA THR A 72 5.697 1.598 -2.247 1.00 0.00 H new ATOM 0 HB THR A 72 5.100 0.872 -4.744 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.416 -1.039 -5.220 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.508 0.968 -5.320 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.025 2.243 -4.177 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.906 0.812 -3.593 1.00 0.00 H new ATOM 1130 N PRO A 73 3.253 2.082 -2.735 1.00 0.00 N ATOM 1131 CA PRO A 73 1.811 2.360 -2.825 1.00 0.00 C ATOM 1132 C PRO A 73 1.256 2.059 -4.216 1.00 0.00 C ATOM 1133 O PRO A 73 0.122 1.598 -4.359 1.00 0.00 O ATOM 1134 CB PRO A 73 1.726 3.856 -2.531 1.00 0.00 C ATOM 1135 CG PRO A 73 3.038 4.397 -2.977 1.00 0.00 C ATOM 1136 CD PRO A 73 4.045 3.327 -2.658 1.00 0.00 C ATOM 0 HA PRO A 73 1.228 1.743 -2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.901 4.321 -3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.559 4.043 -1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.028 4.620 -4.044 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.276 5.326 -2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.869 3.324 -3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.480 3.466 -1.669 1.00 0.00 H new ATOM 1144 N THR A 74 2.078 2.321 -5.235 1.00 0.00 N ATOM 1145 CA THR A 74 1.700 2.077 -6.627 1.00 0.00 C ATOM 1146 C THR A 74 1.482 0.582 -6.895 1.00 0.00 C ATOM 1147 O THR A 74 0.948 0.211 -7.942 1.00 0.00 O ATOM 1148 CB THR A 74 2.767 2.631 -7.580 1.00 0.00 C ATOM 1149 OG1 THR A 74 4.005 1.964 -7.397 1.00 0.00 O ATOM 1150 CG2 THR A 74 3.017 4.116 -7.410 1.00 0.00 C ATOM 0 H THR A 74 3.016 2.705 -5.119 1.00 0.00 H new ATOM 0 HA THR A 74 0.758 2.595 -6.808 1.00 0.00 H new ATOM 0 HB THR A 74 2.370 2.459 -8.580 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.670 2.332 -8.016 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.783 4.439 -8.115 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.094 4.664 -7.600 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.354 4.314 -6.393 1.00 0.00 H new ATOM 1158 N TYR A 75 1.888 -0.270 -5.946 1.00 0.00 N ATOM 1159 CA TYR A 75 1.726 -1.719 -6.075 1.00 0.00 C ATOM 1160 C TYR A 75 0.303 -2.078 -6.504 1.00 0.00 C ATOM 1161 O TYR A 75 0.098 -3.043 -7.237 1.00 0.00 O ATOM 1162 CB TYR A 75 2.053 -2.406 -4.748 1.00 0.00 C ATOM 1163 CG TYR A 75 2.347 -3.882 -4.880 1.00 0.00 C ATOM 1164 CD1 TYR A 75 3.528 -4.323 -5.458 1.00 0.00 C ATOM 1165 CD2 TYR A 75 1.445 -4.835 -4.421 1.00 0.00 C ATOM 1166 CE1 TYR A 75 3.806 -5.670 -5.577 1.00 0.00 C ATOM 1167 CE2 TYR A 75 1.715 -6.186 -4.536 1.00 0.00 C ATOM 1168 CZ TYR A 75 2.898 -6.598 -5.114 1.00 0.00 C ATOM 1169 OH TYR A 75 3.170 -7.942 -5.231 1.00 0.00 O ATOM 0 H TYR A 75 2.333 0.024 -5.077 1.00 0.00 H new ATOM 0 HA TYR A 75 2.416 -2.067 -6.843 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.914 -1.913 -4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.215 -2.272 -4.064 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.243 -3.600 -5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.519 -4.515 -3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.731 -5.995 -6.031 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.004 -6.915 -4.175 1.00 0.00 H new ATOM 0 HH TYR A 75 2.428 -8.460 -4.855 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.676 -1.292 -6.050 1.00 0.00 N ATOM 1180 CA ILE A 76 -2.074 -1.529 -6.401 1.00 0.00 C ATOM 1181 C ILE A 76 -2.280 -1.445 -7.915 1.00 0.00 C ATOM 1182 O ILE A 76 -3.011 -2.248 -8.490 1.00 0.00 O ATOM 1183 CB ILE A 76 -3.019 -0.530 -5.697 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.879 -0.656 -4.173 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.462 -0.760 -6.132 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.953 0.069 -3.387 1.00 0.00 C ATOM 0 H ILE A 76 -0.525 -0.488 -5.440 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.319 -2.535 -6.059 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.739 0.483 -5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.899 -1.712 -3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.904 -0.269 -3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.113 -0.047 -5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.543 -0.623 -7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.763 -1.775 -5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.780 -0.071 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.921 1.133 -3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.931 -0.333 -3.652 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.621 -0.481 -8.558 1.00 0.00 N ATOM 1199 CA LYS A 77 -1.730 -0.318 -10.006 1.00 0.00 C ATOM 1200 C LYS A 77 -1.163 -1.539 -10.735 1.00 0.00 C ATOM 1201 O LYS A 77 -1.649 -1.914 -11.799 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.001 0.947 -10.459 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.834 2.214 -10.324 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.334 3.094 -9.186 1.00 0.00 C ATOM 1205 CE LYS A 77 -0.677 4.366 -9.706 1.00 0.00 C ATOM 1206 NZ LYS A 77 0.540 4.078 -10.518 1.00 0.00 N ATOM 0 H LYS A 77 -1.009 0.195 -8.101 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.787 -0.224 -10.256 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.088 1.059 -9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.700 0.829 -11.500 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.801 2.773 -11.259 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.876 1.948 -10.148 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.168 3.355 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.619 2.536 -8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.393 4.922 -10.312 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.408 5.004 -8.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.143 4.924 -10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.068 3.293 -10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.259 3.815 -11.484 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.136 -2.160 -10.150 1.00 0.00 N ATOM 1221 CA ALA A 78 0.486 -3.343 -10.743 1.00 0.00 C ATOM 1222 C ALA A 78 -0.196 -4.633 -10.278 1.00 0.00 C ATOM 1223 O ALA A 78 -0.102 -5.662 -10.944 1.00 0.00 O ATOM 1224 CB ALA A 78 1.971 -3.384 -10.413 1.00 0.00 C ATOM 0 H ALA A 78 0.281 -1.863 -9.268 1.00 0.00 H new ATOM 0 HA ALA A 78 0.363 -3.273 -11.824 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.419 -4.271 -10.862 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.456 -2.492 -10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.103 -3.419 -9.332 1.00 0.00 H new ATOM 1230 N CYS A 79 -0.876 -4.577 -9.134 1.00 0.00 N ATOM 1231 CA CYS A 79 -1.560 -5.751 -8.597 1.00 0.00 C ATOM 1232 C CYS A 79 -3.000 -5.834 -9.100 1.00 0.00 C ATOM 1233 O CYS A 79 -3.523 -6.926 -9.328 1.00 0.00 O ATOM 1234 CB CYS A 79 -1.544 -5.718 -7.069 1.00 0.00 C ATOM 1235 SG CYS A 79 -1.636 -7.349 -6.293 1.00 0.00 S ATOM 0 H CYS A 79 -0.968 -3.736 -8.564 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.027 -6.636 -8.945 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.633 -5.221 -6.737 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.382 -5.114 -6.721 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.592 -8.269 -7.210 1.00 0.00 H new ATOM 1241 N CYS A 80 -3.637 -4.679 -9.272 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.018 -4.625 -9.748 1.00 0.00 C ATOM 1243 C CYS A 80 -5.085 -4.694 -11.275 1.00 0.00 C ATOM 1244 O CYS A 80 -6.039 -5.238 -11.835 1.00 0.00 O ATOM 1245 CB CYS A 80 -5.703 -3.349 -9.250 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.497 -3.491 -9.080 1.00 0.00 S ATOM 0 H CYS A 80 -3.219 -3.767 -9.089 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.542 -5.493 -9.347 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.278 -3.075 -8.284 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.478 -2.536 -9.940 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.983 -2.364 -8.652 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.074 -4.139 -11.947 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.035 -4.140 -13.411 1.00 0.00 C ATOM 1254 C GLN A 81 -3.240 -5.331 -13.949 1.00 0.00 C ATOM 1255 O GLN A 81 -3.700 -6.030 -14.852 1.00 0.00 O ATOM 1256 CB GLN A 81 -3.439 -2.832 -13.939 1.00 0.00 C ATOM 1257 CG GLN A 81 -4.079 -1.586 -13.347 1.00 0.00 C ATOM 1258 CD GLN A 81 -3.519 -0.304 -13.932 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -2.549 0.253 -13.421 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -4.132 0.171 -15.011 1.00 0.00 N ATOM 0 H GLN A 81 -3.275 -3.685 -11.504 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.062 -4.229 -13.764 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.370 -2.817 -13.725 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.547 -2.805 -15.023 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.155 -1.619 -13.519 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.929 -1.584 -12.267 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.934 -0.324 -15.402 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.801 1.031 -15.449 1.00 0.00 H new ATOM 1269 N SER A 82 -2.049 -5.562 -13.391 1.00 0.00 N ATOM 1270 CA SER A 82 -1.205 -6.678 -13.829 1.00 0.00 C ATOM 1271 C SER A 82 -1.580 -7.982 -13.120 1.00 0.00 C ATOM 1272 O SER A 82 -1.161 -9.061 -13.540 1.00 0.00 O ATOM 1273 CB SER A 82 0.275 -6.363 -13.583 1.00 0.00 C ATOM 1274 OG SER A 82 1.065 -6.708 -14.707 1.00 0.00 O ATOM 0 H SER A 82 -1.649 -4.997 -12.642 1.00 0.00 H new ATOM 0 HA SER A 82 -1.373 -6.811 -14.898 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.392 -5.302 -13.365 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.625 -6.909 -12.707 1.00 0.00 H new ATOM 0 HG SER A 82 1.971 -6.353 -14.591 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.367 -7.878 -12.042 1.00 0.00 N ATOM 1281 CA ASN A 83 -2.797 -9.047 -11.273 1.00 0.00 C ATOM 1282 C ASN A 83 -1.626 -9.646 -10.487 1.00 0.00 C ATOM 1283 O ASN A 83 -1.531 -9.460 -9.272 1.00 0.00 O ATOM 1284 CB ASN A 83 -3.429 -10.104 -12.190 1.00 0.00 C ATOM 1285 CG ASN A 83 -4.775 -10.586 -11.674 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -4.866 -11.161 -10.590 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -5.829 -10.354 -12.452 1.00 0.00 N ATOM 0 H ASN A 83 -2.719 -6.991 -11.683 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.553 -8.719 -10.560 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.554 -9.687 -13.189 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.752 -10.954 -12.282 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.757 -10.656 -12.157 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.709 -9.874 -13.344 1.00 0.00 H new ATOM 1294 N SER A 84 -0.736 -10.355 -11.184 1.00 0.00 N ATOM 1295 CA SER A 84 0.424 -10.972 -10.545 1.00 0.00 C ATOM 1296 C SER A 84 1.480 -11.351 -11.586 1.00 0.00 C ATOM 1297 O SER A 84 1.959 -12.487 -11.620 1.00 0.00 O ATOM 1298 CB SER A 84 -0.005 -12.211 -9.749 1.00 0.00 C ATOM 1299 OG SER A 84 -0.295 -11.883 -8.400 1.00 0.00 O ATOM 0 H SER A 84 -0.798 -10.515 -12.189 1.00 0.00 H new ATOM 0 HA SER A 84 0.863 -10.247 -9.860 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.884 -12.658 -10.214 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.787 -12.959 -9.781 1.00 0.00 H new ATOM 0 HG SER A 84 -0.775 -11.029 -8.367 1.00 0.00 H new ATOM 1305 N LEU A 85 1.838 -10.391 -12.438 1.00 0.00 N ATOM 1306 CA LEU A 85 2.834 -10.622 -13.479 1.00 0.00 C ATOM 1307 C LEU A 85 4.222 -10.174 -13.023 1.00 0.00 C ATOM 1308 O LEU A 85 5.214 -10.858 -13.276 1.00 0.00 O ATOM 1309 CB LEU A 85 2.438 -9.887 -14.763 1.00 0.00 C ATOM 1310 CG LEU A 85 3.053 -10.450 -16.047 1.00 0.00 C ATOM 1311 CD1 LEU A 85 2.394 -11.771 -16.423 1.00 0.00 C ATOM 1312 CD2 LEU A 85 2.927 -9.442 -17.181 1.00 0.00 C ATOM 0 H LEU A 85 1.452 -9.447 -12.426 1.00 0.00 H new ATOM 0 HA LEU A 85 2.872 -11.693 -13.678 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.352 -9.911 -14.857 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.727 -8.840 -14.668 1.00 0.00 H new ATOM 0 HG LEU A 85 4.112 -10.638 -15.870 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.845 -12.155 -17.338 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.538 -12.491 -15.618 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.327 -11.613 -16.583 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.369 -9.857 -18.087 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.874 -9.223 -17.358 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.448 -8.523 -16.911 1.00 0.00 H new ATOM 1324 N LEU A 86 4.284 -9.025 -12.351 1.00 0.00 N ATOM 1325 CA LEU A 86 5.551 -8.492 -11.862 1.00 0.00 C ATOM 1326 C LEU A 86 5.528 -8.346 -10.341 1.00 0.00 C ATOM 1327 O LEU A 86 5.181 -7.288 -9.816 1.00 0.00 O ATOM 1328 CB LEU A 86 5.852 -7.140 -12.515 1.00 0.00 C ATOM 1329 CG LEU A 86 5.969 -7.168 -14.041 1.00 0.00 C ATOM 1330 CD1 LEU A 86 4.601 -6.999 -14.687 1.00 0.00 C ATOM 1331 CD2 LEU A 86 6.925 -6.086 -14.520 1.00 0.00 C ATOM 0 H LEU A 86 3.472 -8.447 -12.134 1.00 0.00 H new ATOM 0 HA LEU A 86 6.339 -9.196 -12.130 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.065 -6.438 -12.239 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.784 -6.754 -12.102 1.00 0.00 H new ATOM 0 HG LEU A 86 6.369 -8.138 -14.338 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.706 -7.022 -15.772 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.946 -7.810 -14.369 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.171 -6.044 -14.384 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.997 -6.119 -15.607 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.553 -5.109 -14.211 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.911 -6.253 -14.086 1.00 0.00 H new ATOM 1343 N ASN A 87 5.906 -9.415 -9.640 1.00 0.00 N ATOM 1344 CA ASN A 87 5.933 -9.404 -8.178 1.00 0.00 C ATOM 1345 C ASN A 87 7.201 -8.736 -7.657 1.00 0.00 C ATOM 1346 O ASN A 87 7.171 -8.081 -6.619 1.00 0.00 O ATOM 1347 CB ASN A 87 5.829 -10.828 -7.618 1.00 0.00 C ATOM 1348 CG ASN A 87 4.963 -10.903 -6.372 1.00 0.00 C ATOM 1349 OD1 ASN A 87 3.965 -11.624 -6.339 1.00 0.00 O ATOM 1350 ND2 ASN A 87 5.343 -10.162 -5.335 1.00 0.00 N ATOM 0 H ASN A 87 6.197 -10.298 -10.060 1.00 0.00 H new ATOM 0 HA ASN A 87 5.072 -8.828 -7.839 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.417 -11.486 -8.383 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.828 -11.197 -7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 87 4.801 -10.178 -4.471 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.177 -9.578 -5.404 1.00 0.00 H new ATOM 1357 N MET A 88 8.308 -8.891 -8.391 1.00 0.00 N ATOM 1358 CA MET A 88 9.582 -8.282 -7.998 1.00 0.00 C ATOM 1359 C MET A 88 9.416 -6.785 -7.727 1.00 0.00 C ATOM 1360 O MET A 88 10.211 -6.186 -7.001 1.00 0.00 O ATOM 1361 CB MET A 88 10.639 -8.503 -9.083 1.00 0.00 C ATOM 1362 CG MET A 88 11.496 -9.737 -8.850 1.00 0.00 C ATOM 1363 SD MET A 88 12.444 -9.644 -7.319 1.00 0.00 S ATOM 1364 CE MET A 88 13.829 -8.634 -7.837 1.00 0.00 C ATOM 0 H MET A 88 8.347 -9.430 -9.256 1.00 0.00 H new ATOM 0 HA MET A 88 9.912 -8.763 -7.078 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.143 -8.591 -10.050 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.284 -7.626 -9.135 1.00 0.00 H new ATOM 0 HG2 MET A 88 10.856 -10.619 -8.824 1.00 0.00 H new ATOM 0 HG3 MET A 88 12.180 -9.864 -9.689 1.00 0.00 H new ATOM 0 HE1 MET A 88 14.507 -8.487 -6.996 1.00 0.00 H new ATOM 0 HE2 MET A 88 14.360 -9.133 -8.648 1.00 0.00 H new ATOM 0 HE3 MET A 88 13.465 -7.667 -8.183 1.00 0.00 H new ATOM 1374 N GLU A 89 8.371 -6.190 -8.309 1.00 0.00 N ATOM 1375 CA GLU A 89 8.090 -4.768 -8.127 1.00 0.00 C ATOM 1376 C GLU A 89 7.550 -4.450 -6.733 1.00 0.00 C ATOM 1377 O GLU A 89 7.258 -3.291 -6.440 1.00 0.00 O ATOM 1378 CB GLU A 89 7.117 -4.277 -9.204 1.00 0.00 C ATOM 1379 CG GLU A 89 6.985 -2.762 -9.266 1.00 0.00 C ATOM 1380 CD GLU A 89 7.450 -2.171 -10.587 1.00 0.00 C ATOM 1381 OE1 GLU A 89 7.210 -2.797 -11.643 1.00 0.00 O ATOM 1382 OE2 GLU A 89 8.050 -1.077 -10.565 1.00 0.00 O ATOM 0 H GLU A 89 7.706 -6.675 -8.911 1.00 0.00 H new ATOM 0 HA GLU A 89 9.037 -4.238 -8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.449 -4.644 -10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.135 -4.711 -9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.943 -2.488 -9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.564 -2.320 -8.455 1.00 0.00 H new ATOM 1389 N ASN A 90 7.442 -5.461 -5.860 1.00 0.00 N ATOM 1390 CA ASN A 90 6.972 -5.222 -4.498 1.00 0.00 C ATOM 1391 C ASN A 90 7.730 -4.043 -3.891 1.00 0.00 C ATOM 1392 O ASN A 90 7.197 -3.323 -3.044 1.00 0.00 O ATOM 1393 CB ASN A 90 7.134 -6.472 -3.603 1.00 0.00 C ATOM 1394 CG ASN A 90 8.330 -7.350 -3.962 1.00 0.00 C ATOM 1395 OD1 ASN A 90 8.163 -8.503 -4.358 1.00 0.00 O ATOM 1396 ND2 ASN A 90 9.542 -6.826 -3.808 1.00 0.00 N ATOM 0 H ASN A 90 7.670 -6.433 -6.071 1.00 0.00 H new ATOM 0 HA ASN A 90 5.908 -4.991 -4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.231 -6.152 -2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.226 -7.071 -3.668 1.00 0.00 H new ATOM 0 HD21 ASN A 90 10.369 -7.383 -4.020 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.645 -5.866 -3.478 1.00 0.00 H new ATOM 1403 N TYR A 91 8.981 -3.848 -4.348 1.00 0.00 N ATOM 1404 CA TYR A 91 9.834 -2.767 -3.881 1.00 0.00 C ATOM 1405 C TYR A 91 9.646 -2.539 -2.389 1.00 0.00 C ATOM 1406 O TYR A 91 9.578 -1.404 -1.911 1.00 0.00 O ATOM 1407 CB TYR A 91 9.559 -1.491 -4.683 1.00 0.00 C ATOM 1408 CG TYR A 91 10.683 -0.483 -4.608 1.00 0.00 C ATOM 1409 CD1 TYR A 91 11.861 -0.680 -5.316 1.00 0.00 C ATOM 1410 CD2 TYR A 91 10.572 0.657 -3.821 1.00 0.00 C ATOM 1411 CE1 TYR A 91 12.896 0.229 -5.242 1.00 0.00 C ATOM 1412 CE2 TYR A 91 11.603 1.572 -3.745 1.00 0.00 C ATOM 1413 CZ TYR A 91 12.762 1.354 -4.456 1.00 0.00 C ATOM 1414 OH TYR A 91 13.792 2.264 -4.380 1.00 0.00 O ATOM 0 H TYR A 91 9.419 -4.442 -5.052 1.00 0.00 H new ATOM 0 HA TYR A 91 10.875 -3.047 -4.040 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.387 -1.756 -5.726 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.642 -1.030 -4.316 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.969 -1.559 -5.934 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.665 0.830 -3.260 1.00 0.00 H new ATOM 0 HE1 TYR A 91 13.807 0.060 -5.797 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.501 2.455 -3.131 1.00 0.00 H new ATOM 0 HH TYR A 91 13.536 2.999 -3.785 1.00 0.00 H new ATOM 1424 N LEU A 92 9.558 -3.646 -1.664 1.00 0.00 N ATOM 1425 CA LEU A 92 9.374 -3.604 -0.221 1.00 0.00 C ATOM 1426 C LEU A 92 10.711 -3.421 0.489 1.00 0.00 C ATOM 1427 O LEU A 92 11.749 -3.880 0.008 1.00 0.00 O ATOM 1428 CB LEU A 92 8.667 -4.870 0.293 1.00 0.00 C ATOM 1429 CG LEU A 92 9.098 -6.199 -0.342 1.00 0.00 C ATOM 1430 CD1 LEU A 92 10.577 -6.462 -0.098 1.00 0.00 C ATOM 1431 CD2 LEU A 92 8.258 -7.348 0.203 1.00 0.00 C ATOM 0 H LEU A 92 9.611 -4.587 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 92 8.738 -2.748 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.828 -4.938 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.595 -4.749 0.138 1.00 0.00 H new ATOM 0 HG LEU A 92 8.937 -6.129 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.859 -7.409 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.167 -5.657 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.766 -6.508 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.577 -8.283 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.388 -7.413 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.207 -7.171 -0.026 1.00 0.00 H new ATOM 1443 N VAL A 93 10.676 -2.751 1.637 1.00 0.00 N ATOM 1444 CA VAL A 93 11.884 -2.515 2.417 1.00 0.00 C ATOM 1445 C VAL A 93 12.280 -3.787 3.161 1.00 0.00 C ATOM 1446 O VAL A 93 11.560 -4.240 4.053 1.00 0.00 O ATOM 1447 CB VAL A 93 11.705 -1.360 3.428 1.00 0.00 C ATOM 1448 CG1 VAL A 93 13.010 -1.084 4.159 1.00 0.00 C ATOM 1449 CG2 VAL A 93 11.212 -0.104 2.721 1.00 0.00 C ATOM 0 H VAL A 93 9.826 -2.363 2.046 1.00 0.00 H new ATOM 0 HA VAL A 93 12.672 -2.230 1.720 1.00 0.00 H new ATOM 0 HB VAL A 93 10.956 -1.658 4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.865 -0.268 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 93 13.322 -1.979 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.779 -0.807 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.091 0.699 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.938 0.197 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.254 -0.308 2.243 1.00 0.00 H new ATOM 1459 N PRO A 94 13.430 -4.387 2.791 1.00 0.00 N ATOM 1460 CA PRO A 94 13.922 -5.625 3.413 1.00 0.00 C ATOM 1461 C PRO A 94 14.097 -5.494 4.925 1.00 0.00 C ATOM 1462 O PRO A 94 14.114 -4.388 5.466 1.00 0.00 O ATOM 1463 CB PRO A 94 15.279 -5.855 2.737 1.00 0.00 C ATOM 1464 CG PRO A 94 15.199 -5.109 1.450 1.00 0.00 C ATOM 1465 CD PRO A 94 14.336 -3.912 1.726 1.00 0.00 C ATOM 0 HA PRO A 94 13.219 -6.447 3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 94 16.096 -5.486 3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 94 15.461 -6.916 2.568 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.190 -4.807 1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 94 14.768 -5.729 0.664 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.927 -3.056 2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.785 -3.599 0.839 1.00 0.00 H new