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 75 TYR OH : rot 38:sc= 0.525 USER MOD Set 1.2: A 87 ASN : amide:sc= -0.245 X(o=-0.7,f=-0.8) USER MOD Set 1.3: A 90 ASN : amide:sc= -0.979 K(o=-0.7,f=-1.8) USER MOD Single : A 12 SER OG : rot 48:sc= 0.097 USER MOD Single : A 13 ASN : amide:sc= -1.48 X(o=-1.5,f=-1) USER MOD Single : A 14 MET CE :methyl -114:sc= -0.0128 (180deg=-1.22) USER MOD Single : A 15 LYS NZ :NH3+ -118:sc= -0.756 (180deg=-3.53!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.429 K(o=-0.43,f=-1.3) USER MOD Single : A 27 SER OG : rot 130:sc= -0.631 USER MOD Single : A 29 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.1!) USER MOD Single : A 33 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.018) USER MOD Single : A 41 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.7!) 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 14:sc= 1.16 USER MOD Single : A 54 LYS NZ :NH3+ -108:sc= 0.122 (180deg=-1.35) USER MOD Single : A 56 ASN : amide:sc= -0.845 X(o=-0.85,f=-0.54) USER MOD Single : A 61 SER OG : rot -129:sc= -0.748! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0849 X(o=-0.085,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0718 X(o=-0.072,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.305 X(o=-0.31,f=-0.21) USER MOD Single : A 70 THR OG1 : rot -134:sc= -0.185 USER MOD Single : A 72 THR OG1 : rot -172:sc= 0.0801 USER MOD Single : A 74 THR OG1 : rot -32:sc= 0.0705 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0215 X(o=-0.021,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -128:sc= -1.37 (180deg=-3.59!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LEU A 11 -8.626 -12.296 -1.696 1.00 0.00 N ATOM 155 CA LEU A 11 -8.957 -10.942 -1.262 1.00 0.00 C ATOM 156 C LEU A 11 -8.984 -10.874 0.261 1.00 0.00 C ATOM 157 O LEU A 11 -8.817 -11.895 0.931 1.00 0.00 O ATOM 158 CB LEU A 11 -10.316 -10.510 -1.836 1.00 0.00 C ATOM 159 CG LEU A 11 -11.436 -11.552 -1.740 1.00 0.00 C ATOM 160 CD1 LEU A 11 -12.778 -10.871 -1.528 1.00 0.00 C ATOM 161 CD2 LEU A 11 -11.468 -12.418 -2.992 1.00 0.00 C ATOM 0 HA LEU A 11 -8.192 -10.260 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.639 -9.607 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.180 -10.245 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.237 -12.195 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.562 -11.625 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.751 -10.294 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.985 -10.205 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.269 -13.152 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.644 -11.789 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.514 -12.933 -3.102 1.00 0.00 H new ATOM 173 N SER A 12 -9.205 -9.672 0.803 1.00 0.00 N ATOM 174 CA SER A 12 -9.264 -9.466 2.255 1.00 0.00 C ATOM 175 C SER A 12 -8.090 -10.138 2.975 1.00 0.00 C ATOM 176 O SER A 12 -8.192 -11.286 3.413 1.00 0.00 O ATOM 177 CB SER A 12 -10.596 -9.983 2.822 1.00 0.00 C ATOM 178 OG SER A 12 -11.074 -11.114 2.110 1.00 0.00 O ATOM 0 H SER A 12 -9.347 -8.823 0.256 1.00 0.00 H new ATOM 0 HA SER A 12 -9.193 -8.393 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.466 -10.244 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.340 -9.188 2.781 1.00 0.00 H new ATOM 0 HG SER A 12 -10.349 -11.765 2.005 1.00 0.00 H new ATOM 184 N ASN A 13 -6.976 -9.414 3.100 1.00 0.00 N ATOM 185 CA ASN A 13 -5.791 -9.947 3.773 1.00 0.00 C ATOM 186 C ASN A 13 -5.279 -8.981 4.845 1.00 0.00 C ATOM 187 O ASN A 13 -5.474 -9.215 6.038 1.00 0.00 O ATOM 188 CB ASN A 13 -4.685 -10.250 2.753 1.00 0.00 C ATOM 189 CG ASN A 13 -4.067 -11.622 2.956 1.00 0.00 C ATOM 190 OD1 ASN A 13 -4.386 -12.569 2.240 1.00 0.00 O ATOM 191 ND2 ASN A 13 -3.176 -11.737 3.938 1.00 0.00 N ATOM 0 H ASN A 13 -6.870 -8.463 2.746 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.076 -10.876 4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.097 -10.186 1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.907 -9.490 2.829 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.730 -12.636 4.119 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.939 -10.926 4.509 1.00 0.00 H new ATOM 198 N MET A 14 -4.626 -7.899 4.413 1.00 0.00 N ATOM 199 CA MET A 14 -4.087 -6.898 5.336 1.00 0.00 C ATOM 200 C MET A 14 -3.462 -5.737 4.567 1.00 0.00 C ATOM 201 O MET A 14 -2.730 -5.946 3.599 1.00 0.00 O ATOM 202 CB MET A 14 -3.041 -7.525 6.264 1.00 0.00 C ATOM 203 CG MET A 14 -3.061 -6.953 7.673 1.00 0.00 C ATOM 204 SD MET A 14 -2.906 -8.223 8.943 1.00 0.00 S ATOM 205 CE MET A 14 -4.615 -8.722 9.133 1.00 0.00 C ATOM 0 H MET A 14 -4.458 -7.694 3.428 1.00 0.00 H new ATOM 0 HA MET A 14 -4.913 -6.519 5.939 1.00 0.00 H new ATOM 0 HB2 MET A 14 -3.210 -8.601 6.314 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.050 -7.377 5.834 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.247 -6.236 7.781 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.991 -6.405 7.825 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.965 -8.449 10.129 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.226 -8.220 8.383 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.696 -9.801 9.003 1.00 0.00 H new ATOM 215 N LYS A 15 -3.751 -4.517 5.008 1.00 0.00 N ATOM 216 CA LYS A 15 -3.213 -3.322 4.369 1.00 0.00 C ATOM 217 C LYS A 15 -2.964 -2.230 5.402 1.00 0.00 C ATOM 218 O LYS A 15 -3.647 -2.154 6.422 1.00 0.00 O ATOM 219 CB LYS A 15 -4.170 -2.818 3.290 1.00 0.00 C ATOM 220 CG LYS A 15 -3.461 -2.245 2.074 1.00 0.00 C ATOM 221 CD LYS A 15 -4.306 -2.386 0.819 1.00 0.00 C ATOM 222 CE LYS A 15 -4.387 -3.837 0.359 1.00 0.00 C ATOM 223 NZ LYS A 15 -5.617 -4.523 0.853 1.00 0.00 N ATOM 0 H LYS A 15 -4.356 -4.330 5.807 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.263 -3.581 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.813 -3.639 2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.818 -2.053 3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.235 -1.193 2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.509 -2.756 1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.310 -2.008 1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.882 -1.774 0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.368 -3.872 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.507 -4.376 0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.348 -5.319 1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.197 -3.850 1.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.164 -4.880 0.044 1.00 0.00 H new ATOM 237 N PHE A 16 -1.974 -1.391 5.137 1.00 0.00 N ATOM 238 CA PHE A 16 -1.634 -0.310 6.048 1.00 0.00 C ATOM 239 C PHE A 16 -0.874 0.784 5.309 1.00 0.00 C ATOM 240 O PHE A 16 0.175 0.527 4.740 1.00 0.00 O ATOM 241 CB PHE A 16 -0.807 -0.862 7.212 1.00 0.00 C ATOM 242 CG PHE A 16 -0.482 0.150 8.276 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.490 0.857 8.909 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.833 0.386 8.648 1.00 0.00 C ATOM 245 CE1 PHE A 16 -1.195 1.782 9.891 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.133 1.310 9.630 1.00 0.00 C ATOM 247 CZ PHE A 16 0.118 2.010 10.252 1.00 0.00 C ATOM 0 H PHE A 16 -1.393 -1.438 4.300 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.549 0.128 6.447 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.351 -1.689 7.668 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.124 -1.270 6.819 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.519 0.683 8.632 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.631 -0.158 8.165 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.991 2.327 10.376 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.161 1.485 9.911 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.351 2.734 11.019 1.00 0.00 H new ATOM 257 N TYR A 17 -1.404 2.001 5.311 1.00 0.00 N ATOM 258 CA TYR A 17 -0.744 3.103 4.624 1.00 0.00 C ATOM 259 C TYR A 17 -0.264 4.145 5.624 1.00 0.00 C ATOM 260 O TYR A 17 -1.008 5.043 6.018 1.00 0.00 O ATOM 261 CB TYR A 17 -1.677 3.722 3.582 1.00 0.00 C ATOM 262 CG TYR A 17 -1.595 3.037 2.235 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.658 1.651 2.133 1.00 0.00 C ATOM 264 CD2 TYR A 17 -1.445 3.772 1.067 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.573 1.021 0.910 1.00 0.00 C ATOM 266 CE2 TYR A 17 -1.360 3.147 -0.163 1.00 0.00 C ATOM 267 CZ TYR A 17 -1.425 1.772 -0.234 1.00 0.00 C ATOM 268 OH TYR A 17 -1.341 1.147 -1.454 1.00 0.00 O ATOM 0 H TYR A 17 -2.278 2.248 5.775 1.00 0.00 H new ATOM 0 HA TYR A 17 0.130 2.714 4.101 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.703 3.673 3.946 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.431 4.777 3.463 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.776 1.058 3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.394 4.849 1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.622 -0.056 0.850 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.243 3.733 -1.063 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.240 1.819 -2.160 1.00 0.00 H new ATOM 278 N LEU A 18 0.991 4.003 6.044 1.00 0.00 N ATOM 279 CA LEU A 18 1.578 4.921 7.012 1.00 0.00 C ATOM 280 C LEU A 18 2.965 5.408 6.561 1.00 0.00 C ATOM 281 O LEU A 18 3.870 5.555 7.372 1.00 0.00 O ATOM 282 CB LEU A 18 1.652 4.245 8.388 1.00 0.00 C ATOM 283 CG LEU A 18 1.320 5.146 9.584 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.190 5.282 9.770 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.961 4.593 10.847 1.00 0.00 C ATOM 0 H LEU A 18 1.618 3.263 5.729 1.00 0.00 H new ATOM 0 HA LEU A 18 0.939 5.801 7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.968 3.396 8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.657 3.846 8.524 1.00 0.00 H new ATOM 0 HG LEU A 18 1.724 6.139 9.385 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.395 5.926 10.625 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.629 5.719 8.873 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.625 4.298 9.945 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.720 5.240 11.691 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.581 3.589 11.039 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.043 4.553 10.719 1.00 0.00 H new ATOM 297 N ASN A 19 3.077 5.669 5.250 1.00 0.00 N ATOM 298 CA ASN A 19 4.294 6.174 4.572 1.00 0.00 C ATOM 299 C ASN A 19 5.569 6.258 5.434 1.00 0.00 C ATOM 300 O ASN A 19 5.625 6.987 6.425 1.00 0.00 O ATOM 301 CB ASN A 19 3.992 7.564 4.009 1.00 0.00 C ATOM 302 CG ASN A 19 3.066 7.535 2.805 1.00 0.00 C ATOM 303 OD1 ASN A 19 2.004 8.154 2.817 1.00 0.00 O ATOM 304 ND2 ASN A 19 3.463 6.822 1.754 1.00 0.00 N ATOM 0 H ASN A 19 2.299 5.532 4.605 1.00 0.00 H new ATOM 0 HA ASN A 19 4.521 5.436 3.803 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.541 8.175 4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.928 8.046 3.727 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.879 6.775 0.919 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.352 6.322 1.783 1.00 0.00 H new ATOM 311 N ARG A 20 6.620 5.549 4.994 1.00 0.00 N ATOM 312 CA ARG A 20 7.916 5.569 5.680 1.00 0.00 C ATOM 313 C ARG A 20 8.921 6.484 4.962 1.00 0.00 C ATOM 314 O ARG A 20 10.084 6.116 4.783 1.00 0.00 O ATOM 315 CB ARG A 20 8.499 4.156 5.777 1.00 0.00 C ATOM 316 CG ARG A 20 9.465 3.991 6.943 1.00 0.00 C ATOM 317 CD ARG A 20 10.664 3.126 6.584 1.00 0.00 C ATOM 318 NE ARG A 20 10.387 1.703 6.775 1.00 0.00 N ATOM 319 CZ ARG A 20 10.263 1.111 7.968 1.00 0.00 C ATOM 320 NH1 ARG A 20 10.420 1.810 9.093 1.00 0.00 N ATOM 321 NH2 ARG A 20 9.984 -0.185 8.034 1.00 0.00 N ATOM 0 H ARG A 20 6.595 4.955 4.165 1.00 0.00 H new ATOM 0 HA ARG A 20 7.743 5.961 6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.685 3.439 5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.016 3.917 4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.812 4.973 7.266 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.939 3.546 7.787 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.943 3.305 5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.517 3.415 7.198 1.00 0.00 H new ATOM 0 HE ARG A 20 10.281 1.123 5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.637 2.806 9.049 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.323 1.349 9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.865 -0.725 7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.889 -0.641 8.942 1.00 0.00 H new ATOM 397 N ASP A 26 5.028 7.252 -5.707 1.00 0.00 N ATOM 398 CA ASP A 26 3.826 7.227 -6.537 1.00 0.00 C ATOM 399 C ASP A 26 2.866 8.347 -6.136 1.00 0.00 C ATOM 400 O ASP A 26 2.557 9.228 -6.942 1.00 0.00 O ATOM 401 CB ASP A 26 3.128 5.869 -6.429 1.00 0.00 C ATOM 402 CG ASP A 26 2.062 5.678 -7.491 1.00 0.00 C ATOM 403 OD1 ASP A 26 2.416 5.296 -8.627 1.00 0.00 O ATOM 404 OD2 ASP A 26 0.873 5.907 -7.186 1.00 0.00 O ATOM 0 HA ASP A 26 4.126 7.385 -7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.870 5.075 -6.516 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.674 5.775 -5.442 1.00 0.00 H new ATOM 409 N SER A 27 2.400 8.310 -4.886 1.00 0.00 N ATOM 410 CA SER A 27 1.477 9.323 -4.375 1.00 0.00 C ATOM 411 C SER A 27 1.352 9.241 -2.853 1.00 0.00 C ATOM 412 O SER A 27 1.887 8.324 -2.224 1.00 0.00 O ATOM 413 CB SER A 27 0.096 9.161 -5.020 1.00 0.00 C ATOM 414 OG SER A 27 -0.456 10.422 -5.358 1.00 0.00 O ATOM 0 H SER A 27 2.648 7.588 -4.209 1.00 0.00 H new ATOM 0 HA SER A 27 1.881 10.302 -4.634 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.178 8.544 -5.915 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.571 8.640 -4.334 1.00 0.00 H new ATOM 0 HG SER A 27 -0.763 10.406 -6.288 1.00 0.00 H new ATOM 420 N LEU A 28 0.641 10.208 -2.268 1.00 0.00 N ATOM 421 CA LEU A 28 0.442 10.252 -0.819 1.00 0.00 C ATOM 422 C LEU A 28 -1.037 10.434 -0.478 1.00 0.00 C ATOM 423 O LEU A 28 -1.609 9.641 0.269 1.00 0.00 O ATOM 424 CB LEU A 28 1.268 11.381 -0.199 1.00 0.00 C ATOM 425 CG LEU A 28 2.784 11.215 -0.318 1.00 0.00 C ATOM 426 CD1 LEU A 28 3.489 12.524 -0.001 1.00 0.00 C ATOM 427 CD2 LEU A 28 3.275 10.106 0.603 1.00 0.00 C ATOM 0 H LEU A 28 0.194 10.971 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 28 0.777 9.302 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.983 12.321 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.009 11.463 0.856 1.00 0.00 H new ATOM 0 HG LEU A 28 3.020 10.937 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.567 12.388 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.161 13.293 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.245 12.831 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.356 10.003 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.027 10.354 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.794 9.167 0.330 1.00 0.00 H new ATOM 439 N ASN A 29 -1.651 11.479 -1.032 1.00 0.00 N ATOM 440 CA ASN A 29 -3.067 11.752 -0.792 1.00 0.00 C ATOM 441 C ASN A 29 -3.947 11.049 -1.829 1.00 0.00 C ATOM 442 O ASN A 29 -5.066 10.635 -1.522 1.00 0.00 O ATOM 443 CB ASN A 29 -3.339 13.259 -0.809 1.00 0.00 C ATOM 444 CG ASN A 29 -3.490 13.840 0.587 1.00 0.00 C ATOM 445 OD1 ASN A 29 -2.843 14.828 0.930 1.00 0.00 O ATOM 446 ND2 ASN A 29 -4.350 13.231 1.400 1.00 0.00 N ATOM 0 H ASN A 29 -1.191 12.149 -1.649 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.317 11.361 0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.523 13.766 -1.324 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.246 13.455 -1.380 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.492 13.582 2.347 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.867 12.414 1.076 1.00 0.00 H new ATOM 453 N ASP A 30 -3.437 10.926 -3.059 1.00 0.00 N ATOM 454 CA ASP A 30 -4.177 10.280 -4.147 1.00 0.00 C ATOM 455 C ASP A 30 -4.391 8.790 -3.878 1.00 0.00 C ATOM 456 O ASP A 30 -5.444 8.242 -4.205 1.00 0.00 O ATOM 457 CB ASP A 30 -3.443 10.464 -5.476 1.00 0.00 C ATOM 458 CG ASP A 30 -4.368 10.345 -6.673 1.00 0.00 C ATOM 459 OD1 ASP A 30 -4.797 9.214 -6.984 1.00 0.00 O ATOM 460 OD2 ASP A 30 -4.662 11.384 -7.300 1.00 0.00 O ATOM 0 H ASP A 30 -2.513 11.266 -3.326 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.155 10.758 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.962 11.442 -5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.652 9.718 -5.557 1.00 0.00 H new ATOM 465 N ILE A 31 -3.385 8.140 -3.286 1.00 0.00 N ATOM 466 CA ILE A 31 -3.470 6.708 -2.975 1.00 0.00 C ATOM 467 C ILE A 31 -4.736 6.378 -2.187 1.00 0.00 C ATOM 468 O ILE A 31 -5.281 5.285 -2.318 1.00 0.00 O ATOM 469 CB ILE A 31 -2.244 6.208 -2.180 1.00 0.00 C ATOM 470 CG1 ILE A 31 -1.919 7.172 -1.038 1.00 0.00 C ATOM 471 CG2 ILE A 31 -1.048 6.040 -3.107 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.696 6.784 -0.233 1.00 0.00 C ATOM 0 H ILE A 31 -2.506 8.579 -3.013 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.497 6.196 -3.937 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.479 5.236 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.768 8.170 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.778 7.230 -0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.190 5.687 -2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.289 5.314 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.807 6.998 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.533 7.517 0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.850 5.800 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.176 6.755 -0.887 1.00 0.00 H new ATOM 484 N ASP A 32 -5.212 7.335 -1.386 1.00 0.00 N ATOM 485 CA ASP A 32 -6.430 7.145 -0.600 1.00 0.00 C ATOM 486 C ASP A 32 -7.612 6.793 -1.510 1.00 0.00 C ATOM 487 O ASP A 32 -8.562 6.134 -1.085 1.00 0.00 O ATOM 488 CB ASP A 32 -6.744 8.411 0.208 1.00 0.00 C ATOM 489 CG ASP A 32 -7.713 8.171 1.355 1.00 0.00 C ATOM 490 OD1 ASP A 32 -7.853 7.009 1.796 1.00 0.00 O ATOM 491 OD2 ASP A 32 -8.332 9.152 1.817 1.00 0.00 O ATOM 0 H ASP A 32 -4.772 8.247 -1.266 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.267 6.317 0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.815 8.818 0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.162 9.165 -0.459 1.00 0.00 H new ATOM 496 N GLN A 33 -7.536 7.232 -2.769 1.00 0.00 N ATOM 497 CA GLN A 33 -8.582 6.964 -3.746 1.00 0.00 C ATOM 498 C GLN A 33 -8.371 5.611 -4.425 1.00 0.00 C ATOM 499 O GLN A 33 -9.321 4.840 -4.584 1.00 0.00 O ATOM 500 CB GLN A 33 -8.622 8.081 -4.792 1.00 0.00 C ATOM 501 CG GLN A 33 -9.790 7.974 -5.764 1.00 0.00 C ATOM 502 CD GLN A 33 -9.350 8.006 -7.216 1.00 0.00 C ATOM 503 OE1 GLN A 33 -9.794 7.193 -8.024 1.00 0.00 O ATOM 504 NE2 GLN A 33 -8.474 8.948 -7.558 1.00 0.00 N ATOM 0 H GLN A 33 -6.754 7.777 -3.132 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.537 6.931 -3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.674 9.042 -4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.690 8.070 -5.357 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.332 7.048 -5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.485 8.793 -5.581 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.130 9.604 -6.856 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.147 9.014 -8.522 1.00 0.00 H new ATOM 513 N LEU A 34 -7.126 5.318 -4.814 1.00 0.00 N ATOM 514 CA LEU A 34 -6.816 4.043 -5.461 1.00 0.00 C ATOM 515 C LEU A 34 -6.873 2.891 -4.455 1.00 0.00 C ATOM 516 O LEU A 34 -7.081 1.735 -4.831 1.00 0.00 O ATOM 517 CB LEU A 34 -5.437 4.102 -6.129 1.00 0.00 C ATOM 518 CG LEU A 34 -4.237 4.078 -5.176 1.00 0.00 C ATOM 519 CD1 LEU A 34 -3.873 2.648 -4.803 1.00 0.00 C ATOM 520 CD2 LEU A 34 -3.047 4.785 -5.807 1.00 0.00 C ATOM 0 H LEU A 34 -6.326 5.939 -4.693 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.568 3.861 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.350 3.260 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.383 5.010 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.512 4.607 -4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.019 2.655 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.722 2.173 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.617 2.091 -5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.202 4.760 -5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.774 4.281 -6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.311 5.821 -6.021 1.00 0.00 H new ATOM 532 N ALA A 35 -6.699 3.218 -3.172 1.00 0.00 N ATOM 533 CA ALA A 35 -6.741 2.221 -2.101 1.00 0.00 C ATOM 534 C ALA A 35 -8.172 2.014 -1.600 1.00 0.00 C ATOM 535 O ALA A 35 -8.483 0.972 -1.020 1.00 0.00 O ATOM 536 CB ALA A 35 -5.828 2.631 -0.952 1.00 0.00 C ATOM 0 H ALA A 35 -6.527 4.170 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.384 1.275 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.872 1.878 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.804 2.717 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.154 3.592 -0.553 1.00 0.00 H new ATOM 542 N ARG A 36 -9.042 3.002 -1.841 1.00 0.00 N ATOM 543 CA ARG A 36 -10.442 2.915 -1.427 1.00 0.00 C ATOM 544 C ARG A 36 -11.109 1.682 -2.042 1.00 0.00 C ATOM 545 O ARG A 36 -12.007 1.087 -1.441 1.00 0.00 O ATOM 546 CB ARG A 36 -11.201 4.183 -1.835 1.00 0.00 C ATOM 547 CG ARG A 36 -11.631 5.040 -0.656 1.00 0.00 C ATOM 548 CD ARG A 36 -12.922 4.525 -0.039 1.00 0.00 C ATOM 549 NE ARG A 36 -13.378 5.364 1.071 1.00 0.00 N ATOM 550 CZ ARG A 36 -14.372 5.033 1.897 1.00 0.00 C ATOM 551 NH1 ARG A 36 -15.024 3.881 1.749 1.00 0.00 N ATOM 552 NH2 ARG A 36 -14.718 5.860 2.878 1.00 0.00 N ATOM 0 H ARG A 36 -8.799 3.869 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.472 2.822 -0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.570 4.778 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.084 3.900 -2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.843 5.047 0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.768 6.070 -0.984 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.697 4.485 -0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.771 3.506 0.316 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.907 6.256 1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.765 3.241 0.998 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.782 3.639 2.387 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.224 6.744 2.997 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.477 5.610 3.511 1.00 0.00 H new ATOM 566 N LEU A 37 -10.650 1.297 -3.236 1.00 0.00 N ATOM 567 CA LEU A 37 -11.182 0.129 -3.933 1.00 0.00 C ATOM 568 C LEU A 37 -10.650 -1.157 -3.305 1.00 0.00 C ATOM 569 O LEU A 37 -11.413 -2.081 -3.019 1.00 0.00 O ATOM 570 CB LEU A 37 -10.807 0.184 -5.415 1.00 0.00 C ATOM 571 CG LEU A 37 -11.891 0.740 -6.338 1.00 0.00 C ATOM 572 CD1 LEU A 37 -12.144 2.212 -6.042 1.00 0.00 C ATOM 573 CD2 LEU A 37 -11.502 0.542 -7.797 1.00 0.00 C ATOM 0 H LEU A 37 -9.907 1.782 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.268 0.136 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.910 0.794 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.550 -0.822 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.815 0.193 -6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.919 2.589 -6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.470 2.324 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.225 2.777 -6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.285 0.944 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.565 1.062 -7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.377 -0.522 -7.999 1.00 0.00 H new ATOM 585 N ILE A 38 -9.335 -1.201 -3.082 1.00 0.00 N ATOM 586 CA ILE A 38 -8.693 -2.363 -2.472 1.00 0.00 C ATOM 587 C ILE A 38 -9.227 -2.595 -1.059 1.00 0.00 C ATOM 588 O ILE A 38 -9.347 -3.736 -0.609 1.00 0.00 O ATOM 589 CB ILE A 38 -7.152 -2.195 -2.451 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.470 -3.484 -2.921 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.649 -1.790 -1.070 1.00 0.00 C ATOM 592 CD1 ILE A 38 -5.837 -3.363 -4.291 1.00 0.00 C ATOM 0 H ILE A 38 -8.694 -0.443 -3.316 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.932 -3.237 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.894 -1.390 -3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.704 -3.766 -2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.204 -4.290 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.565 -1.682 -1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.102 -0.841 -0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.921 -2.557 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.372 -4.311 -4.562 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.603 -3.111 -5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.080 -2.579 -4.274 1.00 0.00 H new ATOM 604 N ARG A 39 -9.573 -1.502 -0.380 1.00 0.00 N ATOM 605 CA ARG A 39 -10.126 -1.570 0.966 1.00 0.00 C ATOM 606 C ARG A 39 -11.540 -2.142 0.909 1.00 0.00 C ATOM 607 O ARG A 39 -11.990 -2.812 1.842 1.00 0.00 O ATOM 608 CB ARG A 39 -10.154 -0.180 1.606 1.00 0.00 C ATOM 609 CG ARG A 39 -10.280 -0.208 3.119 1.00 0.00 C ATOM 610 CD ARG A 39 -11.735 -0.176 3.561 1.00 0.00 C ATOM 611 NE ARG A 39 -11.961 -0.962 4.776 1.00 0.00 N ATOM 612 CZ ARG A 39 -13.167 -1.227 5.284 1.00 0.00 C ATOM 613 NH1 ARG A 39 -14.266 -0.772 4.688 1.00 0.00 N ATOM 614 NH2 ARG A 39 -13.273 -1.951 6.392 1.00 0.00 N ATOM 0 H ARG A 39 -9.478 -0.555 -0.746 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.494 -2.218 1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.243 0.353 1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.989 0.385 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.801 -1.106 3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.751 0.645 3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.037 0.856 3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.365 -0.560 2.759 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.145 -1.330 5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.191 -0.216 3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.183 -0.979 5.083 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.434 -2.303 6.853 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.193 -2.155 6.782 1.00 0.00 H new ATOM 628 N ALA A 40 -12.226 -1.883 -0.208 1.00 0.00 N ATOM 629 CA ALA A 40 -13.579 -2.379 -0.416 1.00 0.00 C ATOM 630 C ALA A 40 -13.568 -3.851 -0.840 1.00 0.00 C ATOM 631 O ALA A 40 -14.593 -4.531 -0.775 1.00 0.00 O ATOM 632 CB ALA A 40 -14.301 -1.530 -1.453 1.00 0.00 C ATOM 0 H ALA A 40 -11.860 -1.329 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.115 -2.306 0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.311 -1.913 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.351 -0.497 -1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.759 -1.571 -2.398 1.00 0.00 H new ATOM 638 N ASN A 41 -12.396 -4.334 -1.268 1.00 0.00 N ATOM 639 CA ASN A 41 -12.228 -5.721 -1.698 1.00 0.00 C ATOM 640 C ASN A 41 -12.456 -6.693 -0.539 1.00 0.00 C ATOM 641 O ASN A 41 -12.822 -7.850 -0.752 1.00 0.00 O ATOM 642 CB ASN A 41 -10.817 -5.922 -2.264 1.00 0.00 C ATOM 643 CG ASN A 41 -10.691 -7.165 -3.125 1.00 0.00 C ATOM 644 OD1 ASN A 41 -9.768 -7.958 -2.949 1.00 0.00 O ATOM 645 ND2 ASN A 41 -11.611 -7.341 -4.070 1.00 0.00 N ATOM 0 H ASN A 41 -11.544 -3.776 -1.325 1.00 0.00 H new ATOM 0 HA ASN A 41 -12.970 -5.927 -2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.542 -5.049 -2.855 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.107 -5.985 -1.439 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.566 -8.157 -4.680 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.362 -6.660 -4.184 1.00 0.00 H new ATOM 652 N GLY A 42 -12.222 -6.217 0.685 1.00 0.00 N ATOM 653 CA GLY A 42 -12.392 -7.049 1.863 1.00 0.00 C ATOM 654 C GLY A 42 -11.327 -6.788 2.917 1.00 0.00 C ATOM 655 O GLY A 42 -11.549 -7.040 4.101 1.00 0.00 O ATOM 0 H GLY A 42 -11.916 -5.264 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.377 -6.868 2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.360 -8.099 1.571 1.00 0.00 H new ATOM 659 N GLY A 43 -10.168 -6.279 2.484 1.00 0.00 N ATOM 660 CA GLY A 43 -9.086 -5.990 3.412 1.00 0.00 C ATOM 661 C GLY A 43 -9.337 -4.738 4.231 1.00 0.00 C ATOM 662 O GLY A 43 -10.487 -4.399 4.525 1.00 0.00 O ATOM 0 H GLY A 43 -9.963 -6.063 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.952 -6.838 4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.156 -5.875 2.855 1.00 0.00 H new ATOM 666 N GLU A 44 -8.263 -4.046 4.601 1.00 0.00 N ATOM 667 CA GLU A 44 -8.371 -2.827 5.392 1.00 0.00 C ATOM 668 C GLU A 44 -7.132 -1.962 5.212 1.00 0.00 C ATOM 669 O GLU A 44 -6.020 -2.401 5.490 1.00 0.00 O ATOM 670 CB GLU A 44 -8.565 -3.168 6.874 1.00 0.00 C ATOM 671 CG GLU A 44 -7.439 -4.008 7.465 1.00 0.00 C ATOM 672 CD GLU A 44 -7.944 -5.258 8.160 1.00 0.00 C ATOM 673 OE1 GLU A 44 -8.380 -6.193 7.453 1.00 0.00 O ATOM 674 OE2 GLU A 44 -7.903 -5.302 9.406 1.00 0.00 O ATOM 0 H GLU A 44 -7.307 -4.311 4.364 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.239 -2.268 5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.651 -2.242 7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.507 -3.704 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.748 -4.292 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.876 -3.404 8.176 1.00 0.00 H new ATOM 681 N VAL A 45 -7.329 -0.735 4.742 1.00 0.00 N ATOM 682 CA VAL A 45 -6.221 0.189 4.525 1.00 0.00 C ATOM 683 C VAL A 45 -6.534 1.569 5.091 1.00 0.00 C ATOM 684 O VAL A 45 -7.613 2.119 4.864 1.00 0.00 O ATOM 685 CB VAL A 45 -5.866 0.316 3.026 1.00 0.00 C ATOM 686 CG1 VAL A 45 -7.010 0.940 2.239 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.586 1.120 2.844 1.00 0.00 C ATOM 0 H VAL A 45 -8.246 -0.357 4.504 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.361 -0.225 5.051 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.701 -0.688 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.730 1.016 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.899 0.317 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.221 1.935 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.353 1.198 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.721 2.118 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.766 0.620 3.359 1.00 0.00 H new ATOM 697 N LEU A 46 -5.572 2.121 5.820 1.00 0.00 N ATOM 698 CA LEU A 46 -5.714 3.440 6.417 1.00 0.00 C ATOM 699 C LEU A 46 -4.618 4.359 5.889 1.00 0.00 C ATOM 700 O LEU A 46 -3.454 4.224 6.263 1.00 0.00 O ATOM 701 CB LEU A 46 -5.662 3.337 7.952 1.00 0.00 C ATOM 702 CG LEU A 46 -5.040 4.531 8.688 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.741 5.832 8.312 1.00 0.00 C ATOM 704 CD2 LEU A 46 -5.093 4.312 10.194 1.00 0.00 C ATOM 0 H LEU A 46 -4.678 1.669 6.012 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.681 3.862 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.678 3.198 8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.101 2.441 8.217 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.996 4.611 8.383 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.280 6.662 8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.649 5.998 7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.796 5.768 8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.648 5.168 10.702 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.131 4.202 10.509 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.538 3.409 10.450 1.00 0.00 H new ATOM 716 N ASP A 47 -4.996 5.276 5.002 1.00 0.00 N ATOM 717 CA ASP A 47 -4.043 6.207 4.403 1.00 0.00 C ATOM 718 C ASP A 47 -3.660 7.309 5.385 1.00 0.00 C ATOM 719 O ASP A 47 -4.510 8.079 5.838 1.00 0.00 O ATOM 720 CB ASP A 47 -4.622 6.811 3.120 1.00 0.00 C ATOM 721 CG ASP A 47 -4.724 5.789 2.002 1.00 0.00 C ATOM 722 OD1 ASP A 47 -5.629 4.927 2.063 1.00 0.00 O ATOM 723 OD2 ASP A 47 -3.898 5.845 1.069 1.00 0.00 O ATOM 0 H ASP A 47 -5.957 5.394 4.682 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.140 5.651 4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.611 7.221 3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.994 7.641 2.795 1.00 0.00 H new ATOM 728 N SER A 48 -2.371 7.369 5.716 1.00 0.00 N ATOM 729 CA SER A 48 -1.856 8.363 6.651 1.00 0.00 C ATOM 730 C SER A 48 -0.550 8.968 6.137 1.00 0.00 C ATOM 731 O SER A 48 0.471 8.280 6.056 1.00 0.00 O ATOM 732 CB SER A 48 -1.636 7.726 8.026 1.00 0.00 C ATOM 733 OG SER A 48 -1.195 8.683 8.977 1.00 0.00 O ATOM 0 H SER A 48 -1.662 6.736 5.347 1.00 0.00 H new ATOM 0 HA SER A 48 -2.591 9.163 6.741 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.565 7.270 8.370 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.900 6.926 7.944 1.00 0.00 H new ATOM 0 HG SER A 48 -1.065 8.246 9.845 1.00 0.00 H new ATOM 739 N LYS A 49 -0.593 10.253 5.791 1.00 0.00 N ATOM 740 CA LYS A 49 0.586 10.954 5.284 1.00 0.00 C ATOM 741 C LYS A 49 1.689 11.001 6.342 1.00 0.00 C ATOM 742 O LYS A 49 1.411 11.083 7.540 1.00 0.00 O ATOM 743 CB LYS A 49 0.217 12.376 4.855 1.00 0.00 C ATOM 744 CG LYS A 49 -0.324 12.465 3.438 1.00 0.00 C ATOM 745 CD LYS A 49 -0.832 13.863 3.122 1.00 0.00 C ATOM 746 CE LYS A 49 0.125 14.615 2.209 1.00 0.00 C ATOM 747 NZ LYS A 49 0.222 16.060 2.561 1.00 0.00 N ATOM 0 H LYS A 49 -1.432 10.831 5.852 1.00 0.00 H new ATOM 0 HA LYS A 49 0.958 10.406 4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.528 12.772 5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.099 13.012 4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.459 12.193 2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.133 11.745 3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.811 13.796 2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.965 14.421 4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.114 14.161 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.208 14.516 1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.885 16.531 1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.716 16.501 2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.565 16.157 3.538 1.00 0.00 H new ATOM 761 N PRO A 50 2.964 10.953 5.908 1.00 0.00 N ATOM 762 CA PRO A 50 4.112 10.991 6.821 1.00 0.00 C ATOM 763 C PRO A 50 4.302 12.368 7.457 1.00 0.00 C ATOM 764 O PRO A 50 4.547 13.354 6.760 1.00 0.00 O ATOM 765 CB PRO A 50 5.296 10.642 5.916 1.00 0.00 C ATOM 766 CG PRO A 50 4.870 11.063 4.552 1.00 0.00 C ATOM 767 CD PRO A 50 3.381 10.860 4.495 1.00 0.00 C ATOM 0 HA PRO A 50 3.990 10.309 7.662 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.200 11.166 6.227 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.518 9.575 5.949 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.128 12.106 4.369 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.373 10.471 3.787 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.896 11.620 3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.124 9.892 4.064 1.00 0.00 H new ATOM 775 N ARG A 51 4.184 12.424 8.782 1.00 0.00 N ATOM 776 CA ARG A 51 4.341 13.677 9.516 1.00 0.00 C ATOM 777 C ARG A 51 5.540 13.609 10.454 1.00 0.00 C ATOM 778 O ARG A 51 6.560 14.258 10.217 1.00 0.00 O ATOM 779 CB ARG A 51 3.074 13.994 10.314 1.00 0.00 C ATOM 780 CG ARG A 51 1.963 14.613 9.480 1.00 0.00 C ATOM 781 CD ARG A 51 1.845 16.110 9.729 1.00 0.00 C ATOM 782 NE ARG A 51 0.512 16.619 9.402 1.00 0.00 N ATOM 783 CZ ARG A 51 0.227 17.912 9.220 1.00 0.00 C ATOM 784 NH1 ARG A 51 1.177 18.839 9.337 1.00 0.00 N ATOM 785 NH2 ARG A 51 -1.014 18.280 8.923 1.00 0.00 N ATOM 0 H ARG A 51 3.980 11.615 9.369 1.00 0.00 H new ATOM 0 HA ARG A 51 4.511 14.472 8.790 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.704 13.076 10.771 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.328 14.675 11.127 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.157 14.433 8.423 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.016 14.128 9.717 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.067 16.322 10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.590 16.636 9.132 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.247 15.944 9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.132 18.564 9.567 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.949 19.823 9.196 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.747 17.576 8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.234 19.266 8.784 1.00 0.00 H new ATOM 799 N GLU A 52 5.413 12.817 11.518 1.00 0.00 N ATOM 800 CA GLU A 52 6.490 12.665 12.485 1.00 0.00 C ATOM 801 C GLU A 52 7.415 11.529 12.065 1.00 0.00 C ATOM 802 O GLU A 52 6.971 10.394 11.874 1.00 0.00 O ATOM 803 CB GLU A 52 5.926 12.396 13.883 1.00 0.00 C ATOM 804 CG GLU A 52 5.928 13.620 14.785 1.00 0.00 C ATOM 805 CD GLU A 52 7.282 13.869 15.424 1.00 0.00 C ATOM 806 OE1 GLU A 52 8.209 14.292 14.702 1.00 0.00 O ATOM 807 OE2 GLU A 52 7.413 13.639 16.644 1.00 0.00 O ATOM 0 H GLU A 52 4.576 12.274 11.729 1.00 0.00 H new ATOM 0 HA GLU A 52 7.060 13.594 12.516 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.905 12.026 13.789 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.509 11.606 14.355 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.637 14.496 14.204 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.179 13.493 15.567 1.00 0.00 H new ATOM 814 N SER A 53 8.698 11.847 11.916 1.00 0.00 N ATOM 815 CA SER A 53 9.685 10.856 11.506 1.00 0.00 C ATOM 816 C SER A 53 10.344 10.205 12.725 1.00 0.00 C ATOM 817 O SER A 53 11.279 10.752 13.312 1.00 0.00 O ATOM 818 CB SER A 53 10.734 11.499 10.583 1.00 0.00 C ATOM 819 OG SER A 53 11.627 12.339 11.300 1.00 0.00 O ATOM 0 H SER A 53 9.077 12.781 12.073 1.00 0.00 H new ATOM 0 HA SER A 53 9.176 10.070 10.948 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.299 10.717 10.076 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.230 12.080 9.811 1.00 0.00 H new ATOM 0 HG SER A 53 11.535 12.170 12.261 1.00 0.00 H new ATOM 825 N LYS A 54 9.832 9.035 13.105 1.00 0.00 N ATOM 826 CA LYS A 54 10.351 8.302 14.255 1.00 0.00 C ATOM 827 C LYS A 54 10.461 6.803 13.963 1.00 0.00 C ATOM 828 O LYS A 54 10.402 5.980 14.880 1.00 0.00 O ATOM 829 CB LYS A 54 9.440 8.531 15.464 1.00 0.00 C ATOM 830 CG LYS A 54 8.020 8.014 15.272 1.00 0.00 C ATOM 831 CD LYS A 54 7.057 9.140 14.935 1.00 0.00 C ATOM 832 CE LYS A 54 5.610 8.677 15.012 1.00 0.00 C ATOM 833 NZ LYS A 54 4.793 9.197 13.876 1.00 0.00 N ATOM 0 H LYS A 54 9.056 8.575 12.630 1.00 0.00 H new ATOM 0 HA LYS A 54 11.352 8.675 14.471 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.879 8.044 16.335 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.402 9.599 15.681 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.007 7.272 14.474 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.689 7.511 16.181 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.212 9.971 15.624 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.268 9.513 13.933 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.578 7.587 15.012 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.173 9.009 15.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.144 9.932 14.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.421 9.603 13.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.243 8.419 13.459 1.00 0.00 H new ATOM 847 N GLU A 55 10.606 6.453 12.681 1.00 0.00 N ATOM 848 CA GLU A 55 10.708 5.054 12.265 1.00 0.00 C ATOM 849 C GLU A 55 9.496 4.235 12.731 1.00 0.00 C ATOM 850 O GLU A 55 9.557 3.006 12.815 1.00 0.00 O ATOM 851 CB GLU A 55 12.005 4.434 12.782 1.00 0.00 C ATOM 852 CG GLU A 55 12.376 3.147 12.064 1.00 0.00 C ATOM 853 CD GLU A 55 13.856 3.039 11.750 1.00 0.00 C ATOM 854 OE1 GLU A 55 14.462 4.062 11.359 1.00 0.00 O ATOM 855 OE2 GLU A 55 14.408 1.928 11.884 1.00 0.00 O ATOM 0 H GLU A 55 10.655 7.123 11.913 1.00 0.00 H new ATOM 0 HA GLU A 55 10.720 5.034 11.175 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.816 5.154 12.668 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.905 4.233 13.849 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.080 2.298 12.679 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.809 3.081 11.135 1.00 0.00 H new ATOM 862 N ASN A 56 8.389 4.928 13.013 1.00 0.00 N ATOM 863 CA ASN A 56 7.157 4.275 13.449 1.00 0.00 C ATOM 864 C ASN A 56 6.045 4.452 12.403 1.00 0.00 C ATOM 865 O ASN A 56 4.862 4.312 12.709 1.00 0.00 O ATOM 866 CB ASN A 56 6.709 4.837 14.808 1.00 0.00 C ATOM 867 CG ASN A 56 5.560 4.048 15.406 1.00 0.00 C ATOM 868 OD1 ASN A 56 4.552 4.619 15.822 1.00 0.00 O ATOM 869 ND2 ASN A 56 5.704 2.728 15.458 1.00 0.00 N ATOM 0 H ASN A 56 8.324 5.944 12.946 1.00 0.00 H new ATOM 0 HA ASN A 56 7.354 3.209 13.558 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.552 4.827 15.499 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.408 5.878 14.687 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.963 2.149 15.854 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.555 2.293 15.102 1.00 0.00 H new ATOM 876 N VAL A 57 6.440 4.756 11.166 1.00 0.00 N ATOM 877 CA VAL A 57 5.494 4.947 10.071 1.00 0.00 C ATOM 878 C VAL A 57 5.911 4.124 8.850 1.00 0.00 C ATOM 879 O VAL A 57 6.986 4.338 8.292 1.00 0.00 O ATOM 880 CB VAL A 57 5.381 6.442 9.678 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.546 7.201 10.700 1.00 0.00 C ATOM 882 CG2 VAL A 57 6.764 7.060 9.511 1.00 0.00 C ATOM 0 H VAL A 57 7.417 4.876 10.898 1.00 0.00 H new ATOM 0 HA VAL A 57 4.518 4.606 10.418 1.00 0.00 H new ATOM 0 HB VAL A 57 4.872 6.513 8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.477 8.249 10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.546 6.770 10.744 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.016 7.128 11.681 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.663 8.110 9.235 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.313 6.983 10.450 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.307 6.530 8.729 1.00 0.00 H new ATOM 892 N PHE A 58 5.060 3.173 8.449 1.00 0.00 N ATOM 893 CA PHE A 58 5.347 2.317 7.296 1.00 0.00 C ATOM 894 C PHE A 58 4.066 1.876 6.587 1.00 0.00 C ATOM 895 O PHE A 58 2.988 1.846 7.179 1.00 0.00 O ATOM 896 CB PHE A 58 6.158 1.074 7.713 1.00 0.00 C ATOM 897 CG PHE A 58 5.767 0.485 9.048 1.00 0.00 C ATOM 898 CD1 PHE A 58 4.552 -0.167 9.203 1.00 0.00 C ATOM 899 CD2 PHE A 58 6.610 0.586 10.147 1.00 0.00 C ATOM 900 CE1 PHE A 58 4.185 -0.704 10.424 1.00 0.00 C ATOM 901 CE2 PHE A 58 6.246 0.052 11.371 1.00 0.00 C ATOM 902 CZ PHE A 58 5.031 -0.592 11.509 1.00 0.00 C ATOM 0 H PHE A 58 4.169 2.978 8.906 1.00 0.00 H new ATOM 0 HA PHE A 58 5.940 2.913 6.602 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.044 0.308 6.946 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.215 1.340 7.744 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.884 -0.256 8.359 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.561 1.087 10.045 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.237 -1.211 10.528 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.911 0.139 12.218 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.744 -1.007 12.464 1.00 0.00 H new ATOM 912 N ILE A 59 4.212 1.535 5.310 1.00 0.00 N ATOM 913 CA ILE A 59 3.100 1.084 4.487 1.00 0.00 C ATOM 914 C ILE A 59 3.248 -0.399 4.123 1.00 0.00 C ATOM 915 O ILE A 59 4.242 -0.803 3.517 1.00 0.00 O ATOM 916 CB ILE A 59 2.986 1.934 3.196 1.00 0.00 C ATOM 917 CG1 ILE A 59 1.870 1.401 2.290 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.313 1.975 2.448 1.00 0.00 C ATOM 919 CD1 ILE A 59 1.699 2.185 1.005 1.00 0.00 C ATOM 0 H ILE A 59 5.105 1.564 4.819 1.00 0.00 H new ATOM 0 HA ILE A 59 2.188 1.209 5.071 1.00 0.00 H new ATOM 0 HB ILE A 59 2.732 2.953 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.080 0.360 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.930 1.415 2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.204 2.578 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.078 2.414 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.607 0.962 2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.892 1.748 0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.457 3.221 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.625 2.150 0.432 1.00 0.00 H new ATOM 931 N VAL A 60 2.246 -1.199 4.498 1.00 0.00 N ATOM 932 CA VAL A 60 2.241 -2.634 4.211 1.00 0.00 C ATOM 933 C VAL A 60 1.344 -2.932 3.008 1.00 0.00 C ATOM 934 O VAL A 60 0.370 -2.216 2.756 1.00 0.00 O ATOM 935 CB VAL A 60 1.774 -3.472 5.436 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.275 -2.856 6.737 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.255 -3.621 5.468 1.00 0.00 C ATOM 0 H VAL A 60 1.423 -0.873 5.005 1.00 0.00 H new ATOM 0 HA VAL A 60 3.267 -2.921 3.982 1.00 0.00 H new ATOM 0 HB VAL A 60 2.205 -4.468 5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.936 -3.459 7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.365 -2.824 6.729 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.883 -1.844 6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.034 -4.212 6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.206 -2.635 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.081 -4.122 4.560 1.00 0.00 H new ATOM 947 N SER A 61 1.679 -3.985 2.271 1.00 0.00 N ATOM 948 CA SER A 61 0.912 -4.379 1.090 1.00 0.00 C ATOM 949 C SER A 61 0.017 -5.580 1.390 1.00 0.00 C ATOM 950 O SER A 61 0.235 -6.302 2.365 1.00 0.00 O ATOM 951 CB SER A 61 1.854 -4.711 -0.071 1.00 0.00 C ATOM 952 OG SER A 61 1.967 -3.616 -0.964 1.00 0.00 O ATOM 0 H SER A 61 2.480 -4.585 2.470 1.00 0.00 H new ATOM 0 HA SER A 61 0.278 -3.539 0.808 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.839 -4.970 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.483 -5.585 -0.607 1.00 0.00 H new ATOM 0 HG SER A 61 1.802 -3.923 -1.880 1.00 0.00 H new ATOM 958 N PRO A 62 -1.006 -5.813 0.545 1.00 0.00 N ATOM 959 CA PRO A 62 -1.936 -6.936 0.713 1.00 0.00 C ATOM 960 C PRO A 62 -1.221 -8.283 0.674 1.00 0.00 C ATOM 961 O PRO A 62 -0.434 -8.547 -0.238 1.00 0.00 O ATOM 962 CB PRO A 62 -2.899 -6.798 -0.475 1.00 0.00 C ATOM 963 CG PRO A 62 -2.190 -5.927 -1.457 1.00 0.00 C ATOM 964 CD PRO A 62 -1.328 -5.006 -0.645 1.00 0.00 C ATOM 0 HA PRO A 62 -2.439 -6.906 1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.131 -7.771 -0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.845 -6.353 -0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.587 -6.522 -2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.900 -5.364 -2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.430 -4.712 -1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.855 -4.089 -0.380 1.00 0.00 H new ATOM 972 N TYR A 63 -1.494 -9.125 1.680 1.00 0.00 N ATOM 973 CA TYR A 63 -0.880 -10.456 1.787 1.00 0.00 C ATOM 974 C TYR A 63 0.498 -10.399 2.461 1.00 0.00 C ATOM 975 O TYR A 63 1.057 -11.438 2.822 1.00 0.00 O ATOM 976 CB TYR A 63 -0.762 -11.113 0.408 1.00 0.00 C ATOM 977 CG TYR A 63 -0.976 -12.611 0.420 1.00 0.00 C ATOM 978 CD1 TYR A 63 0.035 -13.471 0.823 1.00 0.00 C ATOM 979 CD2 TYR A 63 -2.189 -13.162 0.023 1.00 0.00 C ATOM 980 CE1 TYR A 63 -0.153 -14.838 0.833 1.00 0.00 C ATOM 981 CE2 TYR A 63 -2.386 -14.528 0.031 1.00 0.00 C ATOM 982 CZ TYR A 63 -1.366 -15.362 0.437 1.00 0.00 C ATOM 983 OH TYR A 63 -1.559 -16.723 0.447 1.00 0.00 O ATOM 0 H TYR A 63 -2.141 -8.905 2.437 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.535 -11.060 2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.490 -10.658 -0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.226 -10.901 -0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.986 -13.064 1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.989 -12.511 -0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.645 -15.494 1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.334 -14.941 -0.279 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.467 -16.927 0.141 1.00 0.00 H new ATOM 993 N ASN A 64 1.043 -9.193 2.632 1.00 0.00 N ATOM 994 CA ASN A 64 2.351 -9.026 3.262 1.00 0.00 C ATOM 995 C ASN A 64 2.224 -9.038 4.785 1.00 0.00 C ATOM 996 O ASN A 64 1.852 -8.034 5.395 1.00 0.00 O ATOM 997 CB ASN A 64 3.010 -7.721 2.794 1.00 0.00 C ATOM 998 CG ASN A 64 3.553 -7.814 1.376 1.00 0.00 C ATOM 999 OD1 ASN A 64 4.764 -7.797 1.163 1.00 0.00 O ATOM 1000 ND2 ASN A 64 2.658 -7.906 0.394 1.00 0.00 N ATOM 0 H ASN A 64 0.599 -8.321 2.344 1.00 0.00 H new ATOM 0 HA ASN A 64 2.982 -9.863 2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.282 -6.911 2.848 1.00 0.00 H new ATOM 0 HB3 ASN A 64 3.823 -7.465 3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 64 2.969 -7.965 -0.576 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.662 -7.917 0.612 1.00 0.00 H new ATOM 1007 N HIS A 65 2.538 -10.184 5.388 1.00 0.00 N ATOM 1008 CA HIS A 65 2.467 -10.338 6.841 1.00 0.00 C ATOM 1009 C HIS A 65 3.641 -9.634 7.520 1.00 0.00 C ATOM 1010 O HIS A 65 4.553 -9.147 6.849 1.00 0.00 O ATOM 1011 CB HIS A 65 2.459 -11.822 7.224 1.00 0.00 C ATOM 1012 CG HIS A 65 1.127 -12.316 7.697 1.00 0.00 C ATOM 1013 ND1 HIS A 65 0.521 -13.447 7.192 1.00 0.00 N ATOM 1014 CD2 HIS A 65 0.285 -11.829 8.640 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -0.635 -13.634 7.803 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -0.801 -12.667 8.686 1.00 0.00 N ATOM 0 H HIS A 65 2.845 -11.021 4.892 1.00 0.00 H new ATOM 0 HA HIS A 65 1.540 -9.878 7.183 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.770 -12.412 6.362 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.198 -11.990 8.008 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.439 -10.946 9.243 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.327 -14.441 7.612 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.606 -12.560 9.303 1.00 0.00 H new ATOM 1025 N THR A 66 3.610 -9.591 8.853 1.00 0.00 N ATOM 1026 CA THR A 66 4.670 -8.952 9.637 1.00 0.00 C ATOM 1027 C THR A 66 4.707 -7.447 9.378 1.00 0.00 C ATOM 1028 O THR A 66 5.316 -6.988 8.408 1.00 0.00 O ATOM 1029 CB THR A 66 6.035 -9.579 9.320 1.00 0.00 C ATOM 1030 OG1 THR A 66 5.930 -10.987 9.205 1.00 0.00 O ATOM 1031 CG2 THR A 66 7.087 -9.284 10.369 1.00 0.00 C ATOM 0 H THR A 66 2.859 -9.993 9.415 1.00 0.00 H new ATOM 0 HA THR A 66 4.450 -9.115 10.692 1.00 0.00 H new ATOM 0 HB THR A 66 6.345 -9.128 8.377 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.811 -11.365 9.001 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.027 -9.756 10.084 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.231 -8.206 10.447 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.761 -9.677 11.332 1.00 0.00 H new ATOM 1039 N ASN A 67 4.054 -6.684 10.253 1.00 0.00 N ATOM 1040 CA ASN A 67 4.010 -5.229 10.122 1.00 0.00 C ATOM 1041 C ASN A 67 5.327 -4.601 10.589 1.00 0.00 C ATOM 1042 O ASN A 67 5.372 -3.881 11.588 1.00 0.00 O ATOM 1043 CB ASN A 67 2.828 -4.655 10.917 1.00 0.00 C ATOM 1044 CG ASN A 67 1.571 -4.499 10.073 1.00 0.00 C ATOM 1045 OD1 ASN A 67 0.904 -3.467 10.126 1.00 0.00 O ATOM 1046 ND2 ASN A 67 1.236 -5.524 9.292 1.00 0.00 N ATOM 0 H ASN A 67 3.548 -7.049 11.060 1.00 0.00 H new ATOM 0 HA ASN A 67 3.871 -4.984 9.069 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.614 -5.308 11.763 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.108 -3.684 11.326 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.400 -5.470 8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.815 -6.363 9.276 1.00 0.00 H new ATOM 1053 N LEU A 68 6.397 -4.888 9.847 1.00 0.00 N ATOM 1054 CA LEU A 68 7.726 -4.367 10.160 1.00 0.00 C ATOM 1055 C LEU A 68 8.314 -3.621 8.958 1.00 0.00 C ATOM 1056 O LEU A 68 8.462 -2.399 9.002 1.00 0.00 O ATOM 1057 CB LEU A 68 8.660 -5.502 10.595 1.00 0.00 C ATOM 1058 CG LEU A 68 9.033 -5.500 12.079 1.00 0.00 C ATOM 1059 CD1 LEU A 68 8.937 -6.905 12.655 1.00 0.00 C ATOM 1060 CD2 LEU A 68 10.431 -4.932 12.273 1.00 0.00 C ATOM 0 H LEU A 68 6.367 -5.483 9.019 1.00 0.00 H new ATOM 0 HA LEU A 68 7.629 -3.662 10.986 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.186 -6.454 10.356 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.575 -5.445 10.006 1.00 0.00 H new ATOM 0 HG LEU A 68 8.327 -4.864 12.614 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.206 -6.884 13.711 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.917 -7.273 12.547 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.620 -7.565 12.120 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.682 -4.937 13.334 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.151 -5.542 11.727 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.464 -3.909 11.897 1.00 0.00 H new ATOM 1072 N PRO A 69 8.655 -4.339 7.859 1.00 0.00 N ATOM 1073 CA PRO A 69 9.221 -3.717 6.650 1.00 0.00 C ATOM 1074 C PRO A 69 8.237 -2.755 5.978 1.00 0.00 C ATOM 1075 O PRO A 69 7.214 -2.390 6.562 1.00 0.00 O ATOM 1076 CB PRO A 69 9.523 -4.912 5.732 1.00 0.00 C ATOM 1077 CG PRO A 69 8.633 -5.999 6.219 1.00 0.00 C ATOM 1078 CD PRO A 69 8.522 -5.802 7.702 1.00 0.00 C ATOM 0 HA PRO A 69 10.099 -3.112 6.878 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.319 -4.671 4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.572 -5.202 5.793 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.654 -5.946 5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.048 -6.979 5.985 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.568 -6.163 8.086 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.305 -6.337 8.239 1.00 0.00 H new ATOM 1086 N THR A 70 8.551 -2.339 4.752 1.00 0.00 N ATOM 1087 CA THR A 70 7.690 -1.413 4.016 1.00 0.00 C ATOM 1088 C THR A 70 7.641 -1.774 2.537 1.00 0.00 C ATOM 1089 O THR A 70 8.542 -2.430 2.031 1.00 0.00 O ATOM 1090 CB THR A 70 8.200 0.023 4.190 1.00 0.00 C ATOM 1091 OG1 THR A 70 8.486 0.293 5.552 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.221 1.073 3.713 1.00 0.00 C ATOM 0 H THR A 70 9.391 -2.626 4.249 1.00 0.00 H new ATOM 0 HA THR A 70 6.680 -1.488 4.419 1.00 0.00 H new ATOM 0 HB THR A 70 9.098 0.083 3.576 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.109 1.163 5.799 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.647 2.064 3.866 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.017 0.926 2.652 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.292 0.987 4.276 1.00 0.00 H new ATOM 1100 N VAL A 71 6.586 -1.349 1.849 1.00 0.00 N ATOM 1101 CA VAL A 71 6.438 -1.634 0.424 1.00 0.00 C ATOM 1102 C VAL A 71 5.978 -0.395 -0.341 1.00 0.00 C ATOM 1103 O VAL A 71 5.603 0.613 0.261 1.00 0.00 O ATOM 1104 CB VAL A 71 5.442 -2.786 0.175 1.00 0.00 C ATOM 1105 CG1 VAL A 71 5.959 -4.091 0.768 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.073 -2.443 0.739 1.00 0.00 C ATOM 0 H VAL A 71 5.822 -0.807 2.253 1.00 0.00 H new ATOM 0 HA VAL A 71 7.420 -1.936 0.060 1.00 0.00 H new ATOM 0 HB VAL A 71 5.344 -2.921 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.239 -4.887 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.913 -4.348 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.096 -3.973 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.386 -3.268 0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.154 -2.273 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.696 -1.541 0.256 1.00 0.00 H new ATOM 1116 N THR A 72 6.010 -0.471 -1.671 1.00 0.00 N ATOM 1117 CA THR A 72 5.595 0.656 -2.510 1.00 0.00 C ATOM 1118 C THR A 72 4.068 0.781 -2.557 1.00 0.00 C ATOM 1119 O THR A 72 3.354 -0.223 -2.541 1.00 0.00 O ATOM 1120 CB THR A 72 6.149 0.508 -3.934 1.00 0.00 C ATOM 1121 OG1 THR A 72 6.388 -0.854 -4.252 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.444 1.262 -4.155 1.00 0.00 C ATOM 0 H THR A 72 6.316 -1.294 -2.189 1.00 0.00 H new ATOM 0 HA THR A 72 6.002 1.563 -2.064 1.00 0.00 H new ATOM 0 HB THR A 72 5.381 0.932 -4.581 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.853 -0.912 -5.113 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.780 1.115 -5.181 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.281 2.325 -3.975 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.204 0.890 -3.468 1.00 0.00 H new ATOM 1130 N PRO A 73 3.549 2.026 -2.631 1.00 0.00 N ATOM 1131 CA PRO A 73 2.103 2.288 -2.696 1.00 0.00 C ATOM 1132 C PRO A 73 1.516 1.954 -4.067 1.00 0.00 C ATOM 1133 O PRO A 73 0.379 1.489 -4.173 1.00 0.00 O ATOM 1134 CB PRO A 73 2.009 3.790 -2.431 1.00 0.00 C ATOM 1135 CG PRO A 73 3.299 4.338 -2.934 1.00 0.00 C ATOM 1136 CD PRO A 73 4.334 3.278 -2.669 1.00 0.00 C ATOM 0 HA PRO A 73 1.543 1.677 -1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.160 4.233 -2.951 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.876 3.998 -1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.237 4.565 -3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.553 5.267 -2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.091 3.253 -3.453 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.855 3.453 -1.728 1.00 0.00 H new ATOM 1144 N THR A 74 2.314 2.192 -5.114 1.00 0.00 N ATOM 1145 CA THR A 74 1.905 1.916 -6.494 1.00 0.00 C ATOM 1146 C THR A 74 1.533 0.438 -6.692 1.00 0.00 C ATOM 1147 O THR A 74 0.896 0.089 -7.687 1.00 0.00 O ATOM 1148 CB THR A 74 3.023 2.309 -7.469 1.00 0.00 C ATOM 1149 OG1 THR A 74 2.671 1.978 -8.803 1.00 0.00 O ATOM 1150 CG2 THR A 74 4.351 1.645 -7.166 1.00 0.00 C ATOM 0 H THR A 74 3.254 2.578 -5.029 1.00 0.00 H new ATOM 0 HA THR A 74 1.018 2.515 -6.700 1.00 0.00 H new ATOM 0 HB THR A 74 3.139 3.386 -7.347 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.107 1.176 -8.803 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.094 1.969 -7.895 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.678 1.926 -6.165 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.237 0.562 -7.220 1.00 0.00 H new ATOM 1158 N TYR A 75 1.929 -0.420 -5.740 1.00 0.00 N ATOM 1159 CA TYR A 75 1.628 -1.852 -5.811 1.00 0.00 C ATOM 1160 C TYR A 75 0.173 -2.102 -6.223 1.00 0.00 C ATOM 1161 O TYR A 75 -0.116 -3.060 -6.940 1.00 0.00 O ATOM 1162 CB TYR A 75 1.901 -2.518 -4.458 1.00 0.00 C ATOM 1163 CG TYR A 75 2.172 -4.001 -4.555 1.00 0.00 C ATOM 1164 CD1 TYR A 75 3.389 -4.473 -5.029 1.00 0.00 C ATOM 1165 CD2 TYR A 75 1.213 -4.931 -4.171 1.00 0.00 C ATOM 1166 CE1 TYR A 75 3.644 -5.826 -5.119 1.00 0.00 C ATOM 1167 CE2 TYR A 75 1.462 -6.288 -4.255 1.00 0.00 C ATOM 1168 CZ TYR A 75 2.678 -6.731 -4.730 1.00 0.00 C ATOM 1169 OH TYR A 75 2.930 -8.081 -4.816 1.00 0.00 O ATOM 0 H TYR A 75 2.458 -0.144 -4.913 1.00 0.00 H new ATOM 0 HA TYR A 75 2.277 -2.288 -6.571 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.756 -2.031 -3.989 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.044 -2.356 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.149 -3.769 -5.333 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.258 -4.588 -3.801 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.595 -6.175 -5.492 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.707 -6.998 -3.950 1.00 0.00 H new ATOM 0 HH TYR A 75 3.863 -8.256 -4.573 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.735 -1.228 -5.778 1.00 0.00 N ATOM 1180 CA ILE A 76 -2.155 -1.352 -6.112 1.00 0.00 C ATOM 1181 C ILE A 76 -2.379 -1.215 -7.618 1.00 0.00 C ATOM 1182 O ILE A 76 -3.103 -2.009 -8.216 1.00 0.00 O ATOM 1183 CB ILE A 76 -3.013 -0.295 -5.386 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.771 -0.341 -3.875 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.490 -0.505 -5.700 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.309 -1.586 -3.205 1.00 0.00 C ATOM 0 H ILE A 76 -0.511 -0.428 -5.186 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.463 -2.344 -5.781 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.719 0.691 -5.745 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.700 -0.273 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.231 0.534 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.083 0.248 -5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.650 -0.415 -6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.795 -1.498 -5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.099 -1.544 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.386 -1.646 -3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.831 -2.466 -3.635 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.745 -0.209 -8.227 1.00 0.00 N ATOM 1199 CA LYS A 77 -1.867 0.022 -9.666 1.00 0.00 C ATOM 1200 C LYS A 77 -1.468 -1.229 -10.457 1.00 0.00 C ATOM 1201 O LYS A 77 -2.041 -1.515 -11.508 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.001 1.211 -10.095 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.408 2.532 -9.458 1.00 0.00 C ATOM 1204 CD LYS A 77 -2.073 3.459 -10.466 1.00 0.00 C ATOM 1205 CE LYS A 77 -3.367 4.047 -9.918 1.00 0.00 C ATOM 1206 NZ LYS A 77 -3.370 5.539 -9.954 1.00 0.00 N ATOM 0 H LYS A 77 -1.142 0.458 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.911 0.249 -9.882 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.038 1.001 -9.841 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.050 1.311 -11.179 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.092 2.342 -8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.529 3.021 -9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.388 4.266 -10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.282 2.909 -11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.209 3.670 -10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.511 3.710 -8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.270 5.894 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.583 5.902 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.260 5.863 -10.936 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.489 -1.974 -9.932 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.020 -3.201 -10.575 1.00 0.00 C ATOM 1222 C ALA A 78 -0.842 -4.416 -10.135 1.00 0.00 C ATOM 1223 O ALA A 78 -0.926 -5.407 -10.857 1.00 0.00 O ATOM 1224 CB ALA A 78 1.455 -3.426 -10.272 1.00 0.00 C ATOM 0 H ALA A 78 -0.007 -1.746 -9.062 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.149 -3.082 -11.651 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.790 -4.343 -10.757 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.036 -2.584 -10.647 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.596 -3.513 -9.195 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.448 -4.340 -8.951 1.00 0.00 N ATOM 1231 CA CYS A 79 -2.260 -5.438 -8.431 1.00 0.00 C ATOM 1232 C CYS A 79 -3.689 -5.375 -8.972 1.00 0.00 C ATOM 1233 O CYS A 79 -4.358 -6.402 -9.092 1.00 0.00 O ATOM 1234 CB CYS A 79 -2.281 -5.404 -6.903 1.00 0.00 C ATOM 1235 SG CYS A 79 -2.504 -7.023 -6.128 1.00 0.00 S ATOM 0 H CYS A 79 -1.392 -3.530 -8.334 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.810 -6.373 -8.764 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.347 -4.969 -6.548 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.084 -4.744 -6.577 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.506 -6.889 -4.835 1.00 0.00 H new ATOM 1241 N CYS A 80 -4.149 -4.168 -9.294 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.495 -3.970 -9.821 1.00 0.00 C ATOM 1243 C CYS A 80 -5.516 -4.086 -11.347 1.00 0.00 C ATOM 1244 O CYS A 80 -6.498 -4.553 -11.926 1.00 0.00 O ATOM 1245 CB CYS A 80 -6.033 -2.601 -9.394 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.777 -2.329 -9.788 1.00 0.00 S ATOM 0 H CYS A 80 -3.606 -3.310 -9.198 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.134 -4.752 -9.412 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.894 -2.489 -8.319 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.439 -1.824 -9.875 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.134 -1.146 -9.385 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.430 -3.656 -11.993 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.334 -3.705 -13.454 1.00 0.00 C ATOM 1254 C GLN A 81 -3.556 -4.932 -13.927 1.00 0.00 C ATOM 1255 O GLN A 81 -3.969 -5.604 -14.875 1.00 0.00 O ATOM 1256 CB GLN A 81 -3.672 -2.435 -13.991 1.00 0.00 C ATOM 1257 CG GLN A 81 -4.476 -1.172 -13.728 1.00 0.00 C ATOM 1258 CD GLN A 81 -3.942 0.030 -14.483 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -4.192 0.189 -15.677 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -3.199 0.885 -13.789 1.00 0.00 N ATOM 0 H GLN A 81 -3.607 -3.271 -11.529 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.349 -3.775 -13.844 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.686 -2.329 -13.537 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.519 -2.541 -15.065 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.515 -1.342 -14.012 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.468 -0.957 -12.659 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.016 0.715 -12.800 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.812 1.711 -14.245 1.00 0.00 H new ATOM 1269 N SER A 82 -2.430 -5.221 -13.273 1.00 0.00 N ATOM 1270 CA SER A 82 -1.603 -6.371 -13.646 1.00 0.00 C ATOM 1271 C SER A 82 -1.998 -7.629 -12.868 1.00 0.00 C ATOM 1272 O SER A 82 -1.750 -8.744 -13.326 1.00 0.00 O ATOM 1273 CB SER A 82 -0.118 -6.064 -13.421 1.00 0.00 C ATOM 1274 OG SER A 82 0.601 -6.080 -14.642 1.00 0.00 O ATOM 0 H SER A 82 -2.071 -4.679 -12.487 1.00 0.00 H new ATOM 0 HA SER A 82 -1.773 -6.562 -14.706 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.014 -5.088 -12.948 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.308 -6.797 -12.736 1.00 0.00 H new ATOM 0 HG SER A 82 1.544 -5.879 -14.469 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.608 -7.444 -11.690 1.00 0.00 N ATOM 1281 CA ASN A 83 -3.034 -8.562 -10.844 1.00 0.00 C ATOM 1282 C ASN A 83 -1.828 -9.271 -10.222 1.00 0.00 C ATOM 1283 O ASN A 83 -1.589 -9.160 -9.019 1.00 0.00 O ATOM 1284 CB ASN A 83 -3.884 -9.559 -11.641 1.00 0.00 C ATOM 1285 CG ASN A 83 -5.180 -9.913 -10.935 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -6.260 -9.814 -11.513 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -5.080 -10.330 -9.674 1.00 0.00 N ATOM 0 H ASN A 83 -2.818 -6.525 -11.301 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.645 -8.154 -10.039 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.111 -9.137 -12.620 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.307 -10.468 -11.812 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.919 -10.581 -9.152 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.164 -10.398 -9.231 1.00 0.00 H new ATOM 1294 N SER A 84 -1.073 -9.994 -11.048 1.00 0.00 N ATOM 1295 CA SER A 84 0.106 -10.719 -10.582 1.00 0.00 C ATOM 1296 C SER A 84 1.037 -11.046 -11.748 1.00 0.00 C ATOM 1297 O SER A 84 1.050 -12.170 -12.255 1.00 0.00 O ATOM 1298 CB SER A 84 -0.311 -12.000 -9.851 1.00 0.00 C ATOM 1299 OG SER A 84 0.566 -12.284 -8.774 1.00 0.00 O ATOM 0 H SER A 84 -1.258 -10.093 -12.046 1.00 0.00 H new ATOM 0 HA SER A 84 0.648 -10.081 -9.884 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.329 -11.893 -9.476 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.315 -12.836 -10.550 1.00 0.00 H new ATOM 0 HG SER A 84 0.276 -13.105 -8.324 1.00 0.00 H new ATOM 1305 N LEU A 85 1.812 -10.049 -12.169 1.00 0.00 N ATOM 1306 CA LEU A 85 2.750 -10.216 -13.276 1.00 0.00 C ATOM 1307 C LEU A 85 4.167 -9.827 -12.858 1.00 0.00 C ATOM 1308 O LEU A 85 5.126 -10.542 -13.152 1.00 0.00 O ATOM 1309 CB LEU A 85 2.308 -9.376 -14.478 1.00 0.00 C ATOM 1310 CG LEU A 85 2.835 -9.857 -15.832 1.00 0.00 C ATOM 1311 CD1 LEU A 85 1.767 -9.708 -16.906 1.00 0.00 C ATOM 1312 CD2 LEU A 85 4.094 -9.093 -16.219 1.00 0.00 C ATOM 0 H LEU A 85 1.809 -9.115 -11.759 1.00 0.00 H new ATOM 0 HA LEU A 85 2.754 -11.269 -13.559 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.219 -9.364 -14.513 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.634 -8.347 -14.323 1.00 0.00 H new ATOM 0 HG LEU A 85 3.088 -10.914 -15.745 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.161 -10.055 -17.861 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.894 -10.302 -16.636 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.480 -8.660 -16.991 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.453 -9.449 -17.184 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.868 -8.029 -16.286 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.863 -9.253 -15.464 1.00 0.00 H new ATOM 1324 N LEU A 86 4.293 -8.688 -12.173 1.00 0.00 N ATOM 1325 CA LEU A 86 5.593 -8.204 -11.717 1.00 0.00 C ATOM 1326 C LEU A 86 5.597 -8.001 -10.204 1.00 0.00 C ATOM 1327 O LEU A 86 5.126 -6.981 -9.704 1.00 0.00 O ATOM 1328 CB LEU A 86 5.955 -6.892 -12.423 1.00 0.00 C ATOM 1329 CG LEU A 86 5.692 -6.867 -13.933 1.00 0.00 C ATOM 1330 CD1 LEU A 86 4.368 -6.181 -14.234 1.00 0.00 C ATOM 1331 CD2 LEU A 86 6.835 -6.172 -14.662 1.00 0.00 C ATOM 0 H LEU A 86 3.509 -8.085 -11.923 1.00 0.00 H new ATOM 0 HA LEU A 86 6.340 -8.957 -11.967 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.392 -6.082 -11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.011 -6.686 -12.251 1.00 0.00 H new ATOM 0 HG LEU A 86 5.633 -7.895 -14.289 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.199 -6.173 -15.311 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.558 -6.721 -13.744 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.397 -5.156 -13.864 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.632 -6.163 -15.733 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.927 -5.147 -14.302 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.766 -6.707 -14.474 1.00 0.00 H new ATOM 1343 N ASN A 87 6.138 -8.979 -9.480 1.00 0.00 N ATOM 1344 CA ASN A 87 6.217 -8.906 -8.022 1.00 0.00 C ATOM 1345 C ASN A 87 7.530 -8.263 -7.582 1.00 0.00 C ATOM 1346 O ASN A 87 7.606 -7.674 -6.503 1.00 0.00 O ATOM 1347 CB ASN A 87 6.076 -10.300 -7.400 1.00 0.00 C ATOM 1348 CG ASN A 87 5.858 -10.249 -5.897 1.00 0.00 C ATOM 1349 OD1 ASN A 87 4.725 -10.335 -5.420 1.00 0.00 O ATOM 1350 ND2 ASN A 87 6.942 -10.110 -5.142 1.00 0.00 N ATOM 0 H ASN A 87 6.529 -9.832 -9.880 1.00 0.00 H new ATOM 0 HA ASN A 87 5.393 -8.285 -7.672 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.240 -10.820 -7.867 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.973 -10.882 -7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.855 -10.071 -4.127 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.862 -10.042 -5.578 1.00 0.00 H new ATOM 1357 N MET A 88 8.561 -8.366 -8.428 1.00 0.00 N ATOM 1358 CA MET A 88 9.865 -7.778 -8.126 1.00 0.00 C ATOM 1359 C MET A 88 9.736 -6.280 -7.835 1.00 0.00 C ATOM 1360 O MET A 88 10.593 -5.693 -7.170 1.00 0.00 O ATOM 1361 CB MET A 88 10.835 -8.003 -9.290 1.00 0.00 C ATOM 1362 CG MET A 88 12.281 -8.182 -8.855 1.00 0.00 C ATOM 1363 SD MET A 88 12.564 -9.749 -8.006 1.00 0.00 S ATOM 1364 CE MET A 88 12.346 -9.258 -6.297 1.00 0.00 C ATOM 0 H MET A 88 8.515 -8.850 -9.324 1.00 0.00 H new ATOM 0 HA MET A 88 10.258 -8.270 -7.236 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.521 -8.885 -9.848 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.772 -7.155 -9.972 1.00 0.00 H new ATOM 0 HG2 MET A 88 12.929 -8.125 -9.730 1.00 0.00 H new ATOM 0 HG3 MET A 88 12.562 -7.361 -8.196 1.00 0.00 H new ATOM 0 HE1 MET A 88 13.208 -9.581 -5.713 1.00 0.00 H new ATOM 0 HE2 MET A 88 12.254 -8.173 -6.239 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.443 -9.720 -5.898 1.00 0.00 H new ATOM 1374 N GLU A 89 8.653 -5.667 -8.329 1.00 0.00 N ATOM 1375 CA GLU A 89 8.406 -4.241 -8.112 1.00 0.00 C ATOM 1376 C GLU A 89 7.877 -3.950 -6.712 1.00 0.00 C ATOM 1377 O GLU A 89 7.630 -2.789 -6.378 1.00 0.00 O ATOM 1378 CB GLU A 89 7.444 -3.690 -9.169 1.00 0.00 C ATOM 1379 CG GLU A 89 6.108 -4.414 -9.224 1.00 0.00 C ATOM 1380 CD GLU A 89 4.931 -3.483 -9.010 1.00 0.00 C ATOM 1381 OE1 GLU A 89 4.475 -2.868 -9.995 1.00 0.00 O ATOM 1382 OE2 GLU A 89 4.465 -3.368 -7.856 1.00 0.00 O ATOM 0 H GLU A 89 7.936 -6.138 -8.881 1.00 0.00 H new ATOM 0 HA GLU A 89 9.367 -3.736 -8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.266 -2.634 -8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.920 -3.752 -10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.006 -4.907 -10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.091 -5.196 -8.464 1.00 0.00 H new ATOM 1389 N ASN A 90 7.743 -4.989 -5.877 1.00 0.00 N ATOM 1390 CA ASN A 90 7.294 -4.798 -4.503 1.00 0.00 C ATOM 1391 C ASN A 90 8.134 -3.702 -3.851 1.00 0.00 C ATOM 1392 O ASN A 90 7.653 -2.971 -2.982 1.00 0.00 O ATOM 1393 CB ASN A 90 7.429 -6.099 -3.701 1.00 0.00 C ATOM 1394 CG ASN A 90 6.088 -6.735 -3.387 1.00 0.00 C ATOM 1395 OD1 ASN A 90 5.712 -7.741 -3.987 1.00 0.00 O ATOM 1396 ND2 ASN A 90 5.361 -6.156 -2.440 1.00 0.00 N ATOM 0 H ASN A 90 7.938 -5.958 -6.130 1.00 0.00 H new ATOM 0 HA ASN A 90 6.243 -4.508 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.039 -6.806 -4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.956 -5.894 -2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.453 -6.544 -2.185 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.710 -5.323 -1.967 1.00 0.00 H new ATOM 1403 N TYR A 91 9.400 -3.599 -4.299 1.00 0.00 N ATOM 1404 CA TYR A 91 10.342 -2.607 -3.801 1.00 0.00 C ATOM 1405 C TYR A 91 10.256 -2.476 -2.286 1.00 0.00 C ATOM 1406 O TYR A 91 10.382 -1.385 -1.725 1.00 0.00 O ATOM 1407 CB TYR A 91 10.109 -1.265 -4.501 1.00 0.00 C ATOM 1408 CG TYR A 91 11.282 -0.320 -4.392 1.00 0.00 C ATOM 1409 CD1 TYR A 91 12.490 -0.621 -5.008 1.00 0.00 C ATOM 1410 CD2 TYR A 91 11.190 0.863 -3.671 1.00 0.00 C ATOM 1411 CE1 TYR A 91 13.572 0.228 -4.908 1.00 0.00 C ATOM 1412 CE2 TYR A 91 12.267 1.720 -3.567 1.00 0.00 C ATOM 1413 CZ TYR A 91 13.458 1.398 -4.187 1.00 0.00 C ATOM 1414 OH TYR A 91 14.535 2.247 -4.082 1.00 0.00 O ATOM 0 H TYR A 91 9.789 -4.208 -5.019 1.00 0.00 H new ATOM 0 HA TYR A 91 11.354 -2.939 -4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.894 -1.446 -5.554 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.227 -0.789 -4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.583 -1.535 -5.575 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.260 1.117 -3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 91 14.504 -0.022 -5.392 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.179 2.637 -3.004 1.00 0.00 H new ATOM 0 HH TYR A 91 14.286 3.026 -3.541 1.00 0.00 H new ATOM 1424 N LEU A 92 10.041 -3.612 -1.639 1.00 0.00 N ATOM 1425 CA LEU A 92 9.935 -3.663 -0.189 1.00 0.00 C ATOM 1426 C LEU A 92 11.281 -3.381 0.476 1.00 0.00 C ATOM 1427 O LEU A 92 12.333 -3.802 -0.011 1.00 0.00 O ATOM 1428 CB LEU A 92 9.399 -5.022 0.271 1.00 0.00 C ATOM 1429 CG LEU A 92 10.072 -6.249 -0.358 1.00 0.00 C ATOM 1430 CD1 LEU A 92 11.018 -6.908 0.636 1.00 0.00 C ATOM 1431 CD2 LEU A 92 9.027 -7.245 -0.846 1.00 0.00 C ATOM 0 H LEU A 92 9.936 -4.516 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 92 9.233 -2.887 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.506 -5.087 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.332 -5.064 0.053 1.00 0.00 H new ATOM 0 HG LEU A 92 10.654 -5.917 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.486 -7.776 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.788 -6.196 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.458 -7.224 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.525 -8.108 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.415 -7.571 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.392 -6.769 -1.594 1.00 0.00 H new ATOM 1443 N VAL A 93 11.231 -2.666 1.595 1.00 0.00 N ATOM 1444 CA VAL A 93 12.427 -2.316 2.352 1.00 0.00 C ATOM 1445 C VAL A 93 12.852 -3.485 3.239 1.00 0.00 C ATOM 1446 O VAL A 93 12.010 -4.125 3.873 1.00 0.00 O ATOM 1447 CB VAL A 93 12.192 -1.066 3.236 1.00 0.00 C ATOM 1448 CG1 VAL A 93 13.487 -0.615 3.897 1.00 0.00 C ATOM 1449 CG2 VAL A 93 11.583 0.070 2.423 1.00 0.00 C ATOM 0 H VAL A 93 10.364 -2.314 2.001 1.00 0.00 H new ATOM 0 HA VAL A 93 13.215 -2.091 1.634 1.00 0.00 H new ATOM 0 HB VAL A 93 11.486 -1.341 4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 93 13.295 0.264 4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 93 13.875 -1.418 4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.220 -0.367 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.428 0.936 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.258 0.338 1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.627 -0.250 2.009 1.00 0.00 H new ATOM 1459 N PRO A 94 14.169 -3.780 3.291 1.00 0.00 N ATOM 1460 CA PRO A 94 14.711 -4.879 4.101 1.00 0.00 C ATOM 1461 C PRO A 94 14.203 -4.865 5.541 1.00 0.00 C ATOM 1462 O PRO A 94 13.894 -3.807 6.093 1.00 0.00 O ATOM 1463 CB PRO A 94 16.221 -4.630 4.067 1.00 0.00 C ATOM 1464 CG PRO A 94 16.455 -3.904 2.791 1.00 0.00 C ATOM 1465 CD PRO A 94 15.232 -3.061 2.560 1.00 0.00 C ATOM 0 HA PRO A 94 14.410 -5.851 3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 94 16.544 -4.039 4.924 1.00 0.00 H new ATOM 0 HB3 PRO A 94 16.778 -5.567 4.098 1.00 0.00 H new ATOM 0 HG2 PRO A 94 17.349 -3.284 2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 94 16.608 -4.602 1.968 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.366 -2.048 2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 94 15.000 -2.974 1.499 1.00 0.00 H new