USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 436 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 39 TYR OH : rot -4:sc= -1.77! USER MOD Set 1.2: A 49 ASN : amide:sc= -6.24! C(o=-8!,f=-7.6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 126:sc= -0.351 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.03) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0281 USER MOD Single : A 45 GLN : amide:sc= 0.13 X(o=0.13,f=-0.097) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.8) USER MOD Single : A 65 ASN : amide:sc= -0.749 K(o=-0.75,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 13 -4.662 8.992 3.959 1.00 0.00 N ATOM 133 CA LEU A 13 -4.564 8.071 2.841 1.00 0.00 C ATOM 134 C LEU A 13 -3.185 8.209 2.192 1.00 0.00 C ATOM 135 O LEU A 13 -2.468 7.222 2.032 1.00 0.00 O ATOM 136 CB LEU A 13 -5.725 8.282 1.868 1.00 0.00 C ATOM 137 CG LEU A 13 -5.944 7.176 0.834 1.00 0.00 C ATOM 138 CD1 LEU A 13 -7.393 7.165 0.341 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.948 7.299 -0.321 1.00 0.00 C ATOM 0 HA LEU A 13 -4.653 7.041 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.641 8.397 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.563 9.220 1.338 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.760 6.216 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.522 6.370 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.063 6.993 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.628 8.125 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.126 6.501 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.076 8.265 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.932 7.220 0.065 1.00 0.00 H new ATOM 151 N ASP A 14 -2.855 9.441 1.835 1.00 0.00 N ATOM 152 CA ASP A 14 -1.575 9.721 1.207 1.00 0.00 C ATOM 153 C ASP A 14 -0.446 9.349 2.172 1.00 0.00 C ATOM 154 O ASP A 14 0.534 8.723 1.773 1.00 0.00 O ATOM 155 CB ASP A 14 -1.439 11.208 0.872 1.00 0.00 C ATOM 156 CG ASP A 14 -0.246 11.564 -0.017 1.00 0.00 C ATOM 157 OD1 ASP A 14 0.531 10.634 -0.323 1.00 0.00 O ATOM 158 OD2 ASP A 14 -0.139 12.758 -0.371 1.00 0.00 O ATOM 0 H ASP A 14 -3.452 10.257 1.969 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.515 9.137 0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.353 11.539 0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.359 11.769 1.803 1.00 0.00 H new ATOM 163 N SER A 15 -0.623 9.751 3.422 1.00 0.00 N ATOM 164 CA SER A 15 0.368 9.468 4.446 1.00 0.00 C ATOM 165 C SER A 15 0.726 7.981 4.431 1.00 0.00 C ATOM 166 O SER A 15 1.897 7.621 4.321 1.00 0.00 O ATOM 167 CB SER A 15 -0.138 9.878 5.830 1.00 0.00 C ATOM 168 OG SER A 15 0.162 11.240 6.126 1.00 0.00 O ATOM 0 H SER A 15 -1.438 10.270 3.749 1.00 0.00 H new ATOM 0 HA SER A 15 1.262 10.052 4.228 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.216 9.725 5.882 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.312 9.235 6.586 1.00 0.00 H new ATOM 0 HG SER A 15 -0.179 11.464 7.017 1.00 0.00 H new ATOM 174 N LEU A 16 -0.305 7.156 4.542 1.00 0.00 N ATOM 175 CA LEU A 16 -0.114 5.715 4.542 1.00 0.00 C ATOM 176 C LEU A 16 0.779 5.323 3.363 1.00 0.00 C ATOM 177 O LEU A 16 1.752 4.589 3.533 1.00 0.00 O ATOM 178 CB LEU A 16 -1.464 4.996 4.557 1.00 0.00 C ATOM 179 CG LEU A 16 -2.378 5.309 5.744 1.00 0.00 C ATOM 180 CD1 LEU A 16 -3.816 4.874 5.457 1.00 0.00 C ATOM 181 CD2 LEU A 16 -1.836 4.688 7.032 1.00 0.00 C ATOM 0 H LEU A 16 -1.275 7.458 4.633 1.00 0.00 H new ATOM 0 HA LEU A 16 0.400 5.399 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.996 5.245 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.281 3.922 4.538 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.392 6.389 5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.445 5.107 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.188 5.404 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.841 3.800 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.504 4.926 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.773 3.606 6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.844 5.089 7.240 1.00 0.00 H new ATOM 193 N ILE A 17 0.417 5.829 2.194 1.00 0.00 N ATOM 194 CA ILE A 17 1.173 5.541 0.987 1.00 0.00 C ATOM 195 C ILE A 17 2.644 5.890 1.217 1.00 0.00 C ATOM 196 O ILE A 17 3.499 5.005 1.243 1.00 0.00 O ATOM 197 CB ILE A 17 0.553 6.254 -0.217 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.841 5.702 -0.523 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.478 6.181 -1.433 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.531 6.528 -1.610 1.00 0.00 C ATOM 0 H ILE A 17 -0.390 6.437 2.057 1.00 0.00 H new ATOM 0 HA ILE A 17 1.129 4.477 0.755 1.00 0.00 H new ATOM 0 HB ILE A 17 0.434 7.308 0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.762 4.664 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.446 5.709 0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.014 6.695 -2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.429 6.658 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.651 5.138 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.520 6.115 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.630 7.560 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.936 6.498 -2.522 1.00 0.00 H new ATOM 212 N SER A 18 2.896 7.181 1.378 1.00 0.00 N ATOM 213 CA SER A 18 4.250 7.657 1.605 1.00 0.00 C ATOM 214 C SER A 18 4.928 6.811 2.683 1.00 0.00 C ATOM 215 O SER A 18 6.039 6.320 2.486 1.00 0.00 O ATOM 216 CB SER A 18 4.254 9.133 2.007 1.00 0.00 C ATOM 217 OG SER A 18 5.411 9.476 2.765 1.00 0.00 O ATOM 0 H SER A 18 2.185 7.912 1.356 1.00 0.00 H new ATOM 0 HA SER A 18 4.808 7.561 0.673 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.210 9.753 1.112 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.360 9.352 2.591 1.00 0.00 H new ATOM 0 HG SER A 18 5.377 10.427 3.001 1.00 0.00 H new ATOM 223 N GLN A 19 4.232 6.665 3.801 1.00 0.00 N ATOM 224 CA GLN A 19 4.753 5.886 4.912 1.00 0.00 C ATOM 225 C GLN A 19 5.375 4.585 4.402 1.00 0.00 C ATOM 226 O GLN A 19 6.537 4.296 4.681 1.00 0.00 O ATOM 227 CB GLN A 19 3.661 5.605 5.945 1.00 0.00 C ATOM 228 CG GLN A 19 3.284 6.877 6.706 1.00 0.00 C ATOM 229 CD GLN A 19 3.426 6.676 8.216 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.391 7.093 8.836 1.00 0.00 O ATOM 231 NE2 GLN A 19 2.415 6.014 8.771 1.00 0.00 N ATOM 0 H GLN A 19 3.311 7.073 3.962 1.00 0.00 H new ATOM 0 HA GLN A 19 5.531 6.468 5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.780 5.201 5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.007 4.846 6.647 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.922 7.700 6.384 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.258 7.157 6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.638 5.693 8.194 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.417 5.828 9.774 1.00 0.00 H new ATOM 240 N VAL A 20 4.572 3.833 3.663 1.00 0.00 N ATOM 241 CA VAL A 20 5.028 2.568 3.111 1.00 0.00 C ATOM 242 C VAL A 20 6.136 2.833 2.090 1.00 0.00 C ATOM 243 O VAL A 20 7.215 2.248 2.173 1.00 0.00 O ATOM 244 CB VAL A 20 3.845 1.796 2.524 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.317 0.524 1.818 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.811 1.473 3.603 1.00 0.00 C ATOM 0 H VAL A 20 3.608 4.076 3.434 1.00 0.00 H new ATOM 0 HA VAL A 20 5.451 1.939 3.894 1.00 0.00 H new ATOM 0 HB VAL A 20 3.365 2.433 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.457 -0.006 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.998 0.788 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.833 -0.118 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.981 0.924 3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.274 0.865 4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.440 2.400 4.041 1.00 0.00 H new ATOM 256 N LYS A 21 5.832 3.715 1.149 1.00 0.00 N ATOM 257 CA LYS A 21 6.789 4.064 0.113 1.00 0.00 C ATOM 258 C LYS A 21 8.160 4.299 0.749 1.00 0.00 C ATOM 259 O LYS A 21 9.150 3.693 0.341 1.00 0.00 O ATOM 260 CB LYS A 21 6.280 5.251 -0.708 1.00 0.00 C ATOM 261 CG LYS A 21 6.489 5.012 -2.205 1.00 0.00 C ATOM 262 CD LYS A 21 7.364 6.106 -2.818 1.00 0.00 C ATOM 263 CE LYS A 21 7.869 5.693 -4.202 1.00 0.00 C ATOM 264 NZ LYS A 21 8.166 6.887 -5.024 1.00 0.00 N ATOM 0 H LYS A 21 4.936 4.198 1.082 1.00 0.00 H new ATOM 0 HA LYS A 21 6.902 3.242 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.221 5.410 -0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.802 6.158 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.955 4.039 -2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.524 4.987 -2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.794 7.032 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.212 6.308 -2.163 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.766 5.082 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.119 5.079 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.507 6.588 -5.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.302 7.455 -5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.898 7.458 -4.555 1.00 0.00 H new ATOM 278 N ASP A 22 8.175 5.180 1.739 1.00 0.00 N ATOM 279 CA ASP A 22 9.409 5.502 2.435 1.00 0.00 C ATOM 280 C ASP A 22 10.163 4.210 2.753 1.00 0.00 C ATOM 281 O ASP A 22 11.392 4.183 2.734 1.00 0.00 O ATOM 282 CB ASP A 22 9.124 6.220 3.756 1.00 0.00 C ATOM 283 CG ASP A 22 9.058 7.746 3.662 1.00 0.00 C ATOM 284 OD1 ASP A 22 8.444 8.228 2.686 1.00 0.00 O ATOM 285 OD2 ASP A 22 9.625 8.395 4.567 1.00 0.00 O ATOM 0 H ASP A 22 7.352 5.681 2.075 1.00 0.00 H new ATOM 0 HA ASP A 22 10.000 6.152 1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.177 5.854 4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.898 5.948 4.474 1.00 0.00 H new ATOM 290 N LEU A 23 9.394 3.168 3.038 1.00 0.00 N ATOM 291 CA LEU A 23 9.974 1.876 3.359 1.00 0.00 C ATOM 292 C LEU A 23 10.237 1.103 2.065 1.00 0.00 C ATOM 293 O LEU A 23 11.220 0.372 1.963 1.00 0.00 O ATOM 294 CB LEU A 23 9.089 1.124 4.355 1.00 0.00 C ATOM 295 CG LEU A 23 9.062 1.678 5.781 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.157 0.834 6.680 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.478 1.803 6.347 1.00 0.00 C ATOM 0 H LEU A 23 8.374 3.193 3.053 1.00 0.00 H new ATOM 0 HA LEU A 23 10.936 2.004 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.069 1.116 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.422 0.087 4.396 1.00 0.00 H new ATOM 0 HG LEU A 23 8.638 2.682 5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.156 1.249 7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.142 0.841 6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.528 -0.191 6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.431 2.199 7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.952 0.821 6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.062 2.478 5.721 1.00 0.00 H new ATOM 309 N LEU A 24 9.340 1.293 1.108 1.00 0.00 N ATOM 310 CA LEU A 24 9.463 0.623 -0.176 1.00 0.00 C ATOM 311 C LEU A 24 9.313 1.651 -1.299 1.00 0.00 C ATOM 312 O LEU A 24 8.288 1.691 -1.977 1.00 0.00 O ATOM 313 CB LEU A 24 8.472 -0.539 -0.271 1.00 0.00 C ATOM 314 CG LEU A 24 8.635 -1.646 0.774 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.522 -2.688 0.646 1.00 0.00 C ATOM 316 CD2 LEU A 24 10.025 -2.279 0.690 1.00 0.00 C ATOM 0 H LEU A 24 8.526 1.901 1.196 1.00 0.00 H new ATOM 0 HA LEU A 24 10.453 0.178 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.462 -0.137 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.560 -0.986 -1.261 1.00 0.00 H new ATOM 0 HG LEU A 24 8.545 -1.198 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.661 -3.463 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.555 -2.207 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.556 -3.137 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.114 -3.062 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.169 -2.710 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.783 -1.517 0.868 1.00 0.00 H new ATOM 328 N PRO A 25 10.379 2.480 -1.465 1.00 0.00 N ATOM 329 CA PRO A 25 10.376 3.506 -2.494 1.00 0.00 C ATOM 330 C PRO A 25 10.592 2.893 -3.880 1.00 0.00 C ATOM 331 O PRO A 25 10.111 3.424 -4.879 1.00 0.00 O ATOM 332 CB PRO A 25 11.480 4.470 -2.092 1.00 0.00 C ATOM 333 CG PRO A 25 12.363 3.708 -1.117 1.00 0.00 C ATOM 334 CD PRO A 25 11.610 2.463 -0.681 1.00 0.00 C ATOM 0 HA PRO A 25 9.420 4.025 -2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.050 4.796 -2.962 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.067 5.365 -1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.307 3.437 -1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.604 4.330 -0.255 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.190 1.561 -0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.399 2.482 0.388 1.00 0.00 H new ATOM 342 N ASP A 26 11.318 1.784 -3.894 1.00 0.00 N ATOM 343 CA ASP A 26 11.604 1.094 -5.140 1.00 0.00 C ATOM 344 C ASP A 26 10.299 0.879 -5.910 1.00 0.00 C ATOM 345 O ASP A 26 10.211 1.206 -7.093 1.00 0.00 O ATOM 346 CB ASP A 26 12.230 -0.277 -4.879 1.00 0.00 C ATOM 347 CG ASP A 26 13.707 -0.397 -5.259 1.00 0.00 C ATOM 348 OD1 ASP A 26 13.966 -0.695 -6.445 1.00 0.00 O ATOM 349 OD2 ASP A 26 14.545 -0.187 -4.355 1.00 0.00 O ATOM 0 H ASP A 26 11.716 1.347 -3.063 1.00 0.00 H new ATOM 0 HA ASP A 26 12.301 1.706 -5.712 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.123 -0.513 -3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.666 -1.028 -5.432 1.00 0.00 H new ATOM 354 N LEU A 27 9.319 0.329 -5.209 1.00 0.00 N ATOM 355 CA LEU A 27 8.023 0.066 -5.812 1.00 0.00 C ATOM 356 C LEU A 27 7.345 1.394 -6.152 1.00 0.00 C ATOM 357 O LEU A 27 7.761 2.448 -5.673 1.00 0.00 O ATOM 358 CB LEU A 27 7.185 -0.839 -4.906 1.00 0.00 C ATOM 359 CG LEU A 27 7.752 -2.235 -4.643 1.00 0.00 C ATOM 360 CD1 LEU A 27 7.076 -2.882 -3.432 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.650 -3.113 -5.893 1.00 0.00 C ATOM 0 H LEU A 27 9.396 0.058 -4.229 1.00 0.00 H new ATOM 0 HA LEU A 27 8.141 -0.480 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.051 -0.337 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.196 -0.948 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 27 8.811 -2.134 -4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.497 -3.874 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.243 -2.265 -2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.005 -2.969 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.060 -4.100 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.604 -3.210 -6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.213 -2.655 -6.706 1.00 0.00 H new ATOM 373 N GLY A 28 6.312 1.301 -6.976 1.00 0.00 N ATOM 374 CA GLY A 28 5.572 2.482 -7.386 1.00 0.00 C ATOM 375 C GLY A 28 4.343 2.694 -6.500 1.00 0.00 C ATOM 376 O GLY A 28 3.727 1.730 -6.045 1.00 0.00 O ATOM 0 H GLY A 28 5.970 0.425 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.219 3.358 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.262 2.378 -8.426 1.00 0.00 H new ATOM 380 N GLU A 29 4.021 3.960 -6.281 1.00 0.00 N ATOM 381 CA GLU A 29 2.876 4.311 -5.458 1.00 0.00 C ATOM 382 C GLU A 29 1.638 3.535 -5.913 1.00 0.00 C ATOM 383 O GLU A 29 0.958 2.912 -5.100 1.00 0.00 O ATOM 384 CB GLU A 29 2.620 5.819 -5.488 1.00 0.00 C ATOM 385 CG GLU A 29 3.413 6.531 -4.390 1.00 0.00 C ATOM 386 CD GLU A 29 2.972 7.990 -4.255 1.00 0.00 C ATOM 387 OE1 GLU A 29 2.797 8.631 -5.314 1.00 0.00 O ATOM 388 OE2 GLU A 29 2.819 8.432 -3.096 1.00 0.00 O ATOM 0 H GLU A 29 4.534 4.756 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 29 3.096 4.034 -4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.900 6.220 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.555 6.014 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.271 6.015 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.478 6.489 -4.619 1.00 0.00 H new ATOM 395 N GLY A 30 1.384 3.598 -7.212 1.00 0.00 N ATOM 396 CA GLY A 30 0.240 2.910 -7.785 1.00 0.00 C ATOM 397 C GLY A 30 0.045 1.537 -7.137 1.00 0.00 C ATOM 398 O GLY A 30 -1.079 1.149 -6.823 1.00 0.00 O ATOM 0 H GLY A 30 1.951 4.115 -7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.658 3.512 -7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.382 2.792 -8.859 1.00 0.00 H new ATOM 402 N PHE A 31 1.158 0.840 -6.957 1.00 0.00 N ATOM 403 CA PHE A 31 1.123 -0.480 -6.353 1.00 0.00 C ATOM 404 C PHE A 31 1.024 -0.384 -4.829 1.00 0.00 C ATOM 405 O PHE A 31 0.408 -1.234 -4.188 1.00 0.00 O ATOM 406 CB PHE A 31 2.435 -1.176 -6.723 1.00 0.00 C ATOM 407 CG PHE A 31 2.700 -2.463 -5.939 1.00 0.00 C ATOM 408 CD1 PHE A 31 2.097 -3.623 -6.313 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.538 -2.446 -4.868 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.343 -4.817 -5.585 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.784 -3.640 -4.141 1.00 0.00 C ATOM 412 CZ PHE A 31 3.182 -4.801 -4.514 1.00 0.00 C ATOM 0 H PHE A 31 2.089 1.165 -7.219 1.00 0.00 H new ATOM 0 HA PHE A 31 0.254 -1.030 -6.713 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.424 -1.407 -7.788 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.261 -0.484 -6.556 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.431 -3.636 -7.163 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.016 -1.524 -4.571 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.864 -5.738 -5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.450 -3.626 -3.291 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.370 -5.709 -3.961 1.00 0.00 H new ATOM 422 N ILE A 32 1.641 0.659 -4.293 1.00 0.00 N ATOM 423 CA ILE A 32 1.630 0.878 -2.856 1.00 0.00 C ATOM 424 C ILE A 32 0.215 1.254 -2.413 1.00 0.00 C ATOM 425 O ILE A 32 -0.219 0.878 -1.324 1.00 0.00 O ATOM 426 CB ILE A 32 2.691 1.908 -2.463 1.00 0.00 C ATOM 427 CG1 ILE A 32 4.091 1.430 -2.854 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.598 2.251 -0.975 1.00 0.00 C ATOM 429 CD1 ILE A 32 5.101 2.576 -2.784 1.00 0.00 C ATOM 0 H ILE A 32 2.152 1.362 -4.828 1.00 0.00 H new ATOM 0 HA ILE A 32 1.897 -0.038 -2.329 1.00 0.00 H new ATOM 0 HB ILE A 32 2.497 2.826 -3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.403 0.625 -2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.070 1.020 -3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.363 2.985 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.613 2.664 -0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.752 1.349 -0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.088 2.209 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.799 3.369 -3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.137 2.968 -1.767 1.00 0.00 H new ATOM 441 N LEU A 33 -0.467 1.990 -3.278 1.00 0.00 N ATOM 442 CA LEU A 33 -1.824 2.420 -2.989 1.00 0.00 C ATOM 443 C LEU A 33 -2.761 1.211 -3.046 1.00 0.00 C ATOM 444 O LEU A 33 -3.502 0.951 -2.100 1.00 0.00 O ATOM 445 CB LEU A 33 -2.235 3.560 -3.923 1.00 0.00 C ATOM 446 CG LEU A 33 -3.712 3.957 -3.887 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.545 3.053 -4.798 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.242 3.970 -2.452 1.00 0.00 C ATOM 0 H LEU A 33 -0.105 2.300 -4.180 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.888 2.826 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.637 4.438 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.980 3.276 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.802 4.973 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.591 3.357 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.185 3.139 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.453 2.019 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.294 4.255 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.137 2.976 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.673 4.687 -1.861 1.00 0.00 H new ATOM 460 N ALA A 34 -2.696 0.505 -4.165 1.00 0.00 N ATOM 461 CA ALA A 34 -3.529 -0.670 -4.357 1.00 0.00 C ATOM 462 C ALA A 34 -3.453 -1.553 -3.110 1.00 0.00 C ATOM 463 O ALA A 34 -4.477 -1.873 -2.509 1.00 0.00 O ATOM 464 CB ALA A 34 -3.087 -1.408 -5.622 1.00 0.00 C ATOM 0 H ALA A 34 -2.080 0.724 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.572 -0.383 -4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.712 -2.289 -5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.188 -0.747 -6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.046 -1.714 -5.520 1.00 0.00 H new ATOM 470 N CYS A 35 -2.230 -1.922 -2.759 1.00 0.00 N ATOM 471 CA CYS A 35 -2.007 -2.762 -1.595 1.00 0.00 C ATOM 472 C CYS A 35 -2.800 -2.180 -0.423 1.00 0.00 C ATOM 473 O CYS A 35 -3.658 -2.853 0.146 1.00 0.00 O ATOM 474 CB CYS A 35 -0.518 -2.892 -1.267 1.00 0.00 C ATOM 475 SG CYS A 35 0.205 -4.298 -2.190 1.00 0.00 S ATOM 0 H CYS A 35 -1.383 -1.655 -3.260 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.356 -3.774 -1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.002 -1.970 -1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.385 -3.042 -0.196 1.00 0.00 H new ATOM 0 HG CYS A 35 1.239 -3.889 -2.864 1.00 0.00 H new ATOM 481 N LEU A 36 -2.486 -0.935 -0.098 1.00 0.00 N ATOM 482 CA LEU A 36 -3.158 -0.254 0.995 1.00 0.00 C ATOM 483 C LEU A 36 -4.665 -0.497 0.891 1.00 0.00 C ATOM 484 O LEU A 36 -5.270 -1.067 1.798 1.00 0.00 O ATOM 485 CB LEU A 36 -2.774 1.227 1.022 1.00 0.00 C ATOM 486 CG LEU A 36 -1.518 1.580 1.820 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.999 2.968 1.441 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.770 1.454 3.324 1.00 0.00 C ATOM 0 H LEU A 36 -1.774 -0.380 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.834 -0.660 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.635 1.564 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.611 1.792 1.432 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.738 0.863 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.106 3.194 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.755 2.988 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.766 3.713 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.861 1.711 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.572 2.132 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.057 0.429 3.560 1.00 0.00 H new ATOM 500 N GLU A 37 -5.229 -0.051 -0.222 1.00 0.00 N ATOM 501 CA GLU A 37 -6.653 -0.213 -0.457 1.00 0.00 C ATOM 502 C GLU A 37 -7.094 -1.632 -0.092 1.00 0.00 C ATOM 503 O GLU A 37 -7.954 -1.817 0.768 1.00 0.00 O ATOM 504 CB GLU A 37 -7.011 0.116 -1.907 1.00 0.00 C ATOM 505 CG GLU A 37 -7.240 1.618 -2.088 1.00 0.00 C ATOM 506 CD GLU A 37 -8.474 1.884 -2.953 1.00 0.00 C ATOM 507 OE1 GLU A 37 -9.574 1.486 -2.511 1.00 0.00 O ATOM 508 OE2 GLU A 37 -8.290 2.480 -4.036 1.00 0.00 O ATOM 0 H GLU A 37 -4.725 0.423 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.188 0.489 0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.210 -0.215 -2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.909 -0.430 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.366 2.090 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.363 2.070 -2.551 1.00 0.00 H new ATOM 515 N TYR A 38 -6.484 -2.598 -0.763 1.00 0.00 N ATOM 516 CA TYR A 38 -6.803 -3.995 -0.520 1.00 0.00 C ATOM 517 C TYR A 38 -6.843 -4.295 0.979 1.00 0.00 C ATOM 518 O TYR A 38 -7.807 -4.877 1.474 1.00 0.00 O ATOM 519 CB TYR A 38 -5.671 -4.802 -1.160 1.00 0.00 C ATOM 520 CG TYR A 38 -5.930 -6.310 -1.201 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.687 -7.083 -0.084 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.406 -6.897 -2.356 1.00 0.00 C ATOM 523 CE1 TYR A 38 -5.930 -8.501 -0.124 1.00 0.00 C ATOM 524 CE2 TYR A 38 -6.649 -8.315 -2.396 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.399 -9.048 -1.277 1.00 0.00 C ATOM 526 OH TYR A 38 -6.629 -10.388 -1.314 1.00 0.00 O ATOM 0 H TYR A 38 -5.771 -2.441 -1.475 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.780 -4.244 -0.934 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.512 -4.443 -2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.749 -4.617 -0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.315 -6.624 0.820 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.596 -6.292 -3.230 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.744 -9.117 0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.021 -8.787 -3.293 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.963 -10.638 -2.201 1.00 0.00 H new ATOM 536 N TYR A 39 -5.784 -3.884 1.662 1.00 0.00 N ATOM 537 CA TYR A 39 -5.687 -4.102 3.095 1.00 0.00 C ATOM 538 C TYR A 39 -6.346 -2.959 3.869 1.00 0.00 C ATOM 539 O TYR A 39 -5.817 -2.505 4.883 1.00 0.00 O ATOM 540 CB TYR A 39 -4.191 -4.124 3.417 1.00 0.00 C ATOM 541 CG TYR A 39 -3.458 -5.357 2.884 1.00 0.00 C ATOM 542 CD1 TYR A 39 -3.647 -6.585 3.485 1.00 0.00 C ATOM 543 CD2 TYR A 39 -2.608 -5.240 1.804 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.957 -7.745 2.983 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.918 -6.401 1.302 1.00 0.00 C ATOM 546 CZ TYR A 39 -2.127 -7.596 1.917 1.00 0.00 C ATOM 547 OH TYR A 39 -1.475 -8.692 1.443 1.00 0.00 O ATOM 0 H TYR A 39 -4.986 -3.401 1.249 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.190 -5.027 3.378 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.727 -3.230 3.001 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.062 -4.076 4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.312 -6.676 4.331 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.460 -4.279 1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.096 -8.712 3.443 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.250 -6.324 0.457 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.669 -9.462 2.017 1.00 0.00 H new ATOM 557 N HIS A 40 -7.491 -2.526 3.362 1.00 0.00 N ATOM 558 CA HIS A 40 -8.228 -1.445 3.994 1.00 0.00 C ATOM 559 C HIS A 40 -7.251 -0.374 4.481 1.00 0.00 C ATOM 560 O HIS A 40 -7.136 -0.133 5.682 1.00 0.00 O ATOM 561 CB HIS A 40 -9.127 -1.980 5.110 1.00 0.00 C ATOM 562 CG HIS A 40 -10.118 -3.024 4.654 1.00 0.00 C ATOM 563 ND1 HIS A 40 -11.485 -2.885 4.821 1.00 0.00 N ATOM 564 CD2 HIS A 40 -9.926 -4.224 4.035 1.00 0.00 C ATOM 565 CE1 HIS A 40 -12.079 -3.959 4.322 1.00 0.00 C ATOM 566 NE2 HIS A 40 -11.111 -4.788 3.836 1.00 0.00 N ATOM 0 H HIS A 40 -7.926 -2.904 2.521 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.891 -0.978 3.266 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.501 -2.406 5.894 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.671 -1.147 5.555 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.972 -4.644 3.754 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.143 -4.145 4.303 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.271 -5.692 3.393 1.00 0.00 H new ATOM 574 N TYR A 41 -6.572 0.241 3.524 1.00 0.00 N ATOM 575 CA TYR A 41 -5.608 1.281 3.841 1.00 0.00 C ATOM 576 C TYR A 41 -4.839 0.945 5.120 1.00 0.00 C ATOM 577 O TYR A 41 -4.984 1.628 6.133 1.00 0.00 O ATOM 578 CB TYR A 41 -6.423 2.556 4.070 1.00 0.00 C ATOM 579 CG TYR A 41 -7.148 3.063 2.822 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.424 3.475 1.722 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.527 3.108 2.796 1.00 0.00 C ATOM 582 CE1 TYR A 41 -7.106 3.953 0.547 1.00 0.00 C ATOM 583 CE2 TYR A 41 -9.210 3.585 1.621 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.466 3.984 0.555 1.00 0.00 C ATOM 585 OH TYR A 41 -9.111 4.434 -0.554 1.00 0.00 O ATOM 0 H TYR A 41 -6.670 0.039 2.529 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.881 1.388 3.036 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.157 2.370 4.854 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.759 3.339 4.435 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.345 3.439 1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.094 2.786 3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.551 4.279 -0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.289 3.625 1.587 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.079 4.399 -0.406 1.00 0.00 H new ATOM 595 N ASP A 42 -4.038 -0.106 5.033 1.00 0.00 N ATOM 596 CA ASP A 42 -3.246 -0.541 6.171 1.00 0.00 C ATOM 597 C ASP A 42 -1.773 -0.614 5.764 1.00 0.00 C ATOM 598 O ASP A 42 -1.418 -1.331 4.829 1.00 0.00 O ATOM 599 CB ASP A 42 -3.676 -1.932 6.641 1.00 0.00 C ATOM 600 CG ASP A 42 -3.070 -2.380 7.973 1.00 0.00 C ATOM 601 OD1 ASP A 42 -1.823 -2.391 8.054 1.00 0.00 O ATOM 602 OD2 ASP A 42 -3.869 -2.700 8.880 1.00 0.00 O ATOM 0 H ASP A 42 -3.920 -0.670 4.191 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.395 0.175 6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.762 -1.950 6.729 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.406 -2.658 5.874 1.00 0.00 H new ATOM 607 N PRO A 43 -0.933 0.158 6.504 1.00 0.00 N ATOM 608 CA PRO A 43 0.493 0.188 6.230 1.00 0.00 C ATOM 609 C PRO A 43 1.174 -1.089 6.726 1.00 0.00 C ATOM 610 O PRO A 43 1.770 -1.825 5.941 1.00 0.00 O ATOM 611 CB PRO A 43 1.001 1.441 6.925 1.00 0.00 C ATOM 612 CG PRO A 43 -0.063 1.812 7.945 1.00 0.00 C ATOM 613 CD PRO A 43 -1.318 1.020 7.618 1.00 0.00 C ATOM 0 HA PRO A 43 0.716 0.222 5.164 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.960 1.257 7.410 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.155 2.249 6.210 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.280 1.584 8.954 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.267 2.882 7.911 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.651 0.434 8.475 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.141 1.679 7.343 1.00 0.00 H new ATOM 621 N GLU A 44 1.063 -1.313 8.028 1.00 0.00 N ATOM 622 CA GLU A 44 1.660 -2.489 8.638 1.00 0.00 C ATOM 623 C GLU A 44 1.322 -3.739 7.824 1.00 0.00 C ATOM 624 O GLU A 44 2.215 -4.402 7.298 1.00 0.00 O ATOM 625 CB GLU A 44 1.207 -2.642 10.091 1.00 0.00 C ATOM 626 CG GLU A 44 2.202 -1.983 11.048 1.00 0.00 C ATOM 627 CD GLU A 44 1.599 -0.731 11.689 1.00 0.00 C ATOM 628 OE1 GLU A 44 0.642 -0.900 12.474 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.110 0.367 11.379 1.00 0.00 O ATOM 0 H GLU A 44 0.569 -0.700 8.677 1.00 0.00 H new ATOM 0 HA GLU A 44 2.743 -2.363 8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.222 -2.192 10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.108 -3.700 10.335 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.489 -2.692 11.825 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.111 -1.718 10.508 1.00 0.00 H new ATOM 636 N GLN A 45 0.031 -4.024 7.744 1.00 0.00 N ATOM 637 CA GLN A 45 -0.436 -5.184 7.003 1.00 0.00 C ATOM 638 C GLN A 45 0.356 -5.336 5.703 1.00 0.00 C ATOM 639 O GLN A 45 0.976 -6.372 5.467 1.00 0.00 O ATOM 640 CB GLN A 45 -1.937 -5.088 6.723 1.00 0.00 C ATOM 641 CG GLN A 45 -2.751 -5.521 7.944 1.00 0.00 C ATOM 642 CD GLN A 45 -4.121 -6.061 7.526 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.237 -7.024 6.786 1.00 0.00 O ATOM 644 NE2 GLN A 45 -5.147 -5.389 8.039 1.00 0.00 N ATOM 0 H GLN A 45 -0.707 -3.471 8.180 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.270 -6.072 7.613 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.196 -4.064 6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.192 -5.716 5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.207 -6.288 8.495 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.880 -4.674 8.618 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.979 -4.591 8.652 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.102 -5.671 7.819 1.00 0.00 H new ATOM 653 N VAL A 46 0.309 -4.288 4.893 1.00 0.00 N ATOM 654 CA VAL A 46 1.014 -4.292 3.622 1.00 0.00 C ATOM 655 C VAL A 46 2.477 -4.673 3.857 1.00 0.00 C ATOM 656 O VAL A 46 2.899 -5.775 3.508 1.00 0.00 O ATOM 657 CB VAL A 46 0.853 -2.938 2.930 1.00 0.00 C ATOM 658 CG1 VAL A 46 1.652 -2.890 1.626 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.623 -2.622 2.680 1.00 0.00 C ATOM 0 H VAL A 46 -0.206 -3.431 5.092 1.00 0.00 H new ATOM 0 HA VAL A 46 0.587 -5.037 2.951 1.00 0.00 H new ATOM 0 HB VAL A 46 1.252 -2.172 3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.520 -1.916 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.709 -3.049 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.297 -3.670 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.709 -1.654 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.058 -3.393 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.155 -2.594 3.631 1.00 0.00 H new ATOM 669 N ILE A 47 3.211 -3.741 4.447 1.00 0.00 N ATOM 670 CA ILE A 47 4.618 -3.965 4.733 1.00 0.00 C ATOM 671 C ILE A 47 4.810 -5.400 5.229 1.00 0.00 C ATOM 672 O ILE A 47 5.724 -6.096 4.788 1.00 0.00 O ATOM 673 CB ILE A 47 5.144 -2.903 5.700 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.137 -1.518 5.051 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.529 -3.281 6.228 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.019 -0.418 6.107 1.00 0.00 C ATOM 0 H ILE A 47 2.858 -2.829 4.735 1.00 0.00 H new ATOM 0 HA ILE A 47 5.214 -3.859 3.826 1.00 0.00 H new ATOM 0 HB ILE A 47 4.473 -2.860 6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.052 -1.378 4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.305 -1.445 4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.880 -2.510 6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.470 -4.234 6.754 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.225 -3.369 5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.016 0.556 5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.091 -0.547 6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.865 -0.478 6.791 1.00 0.00 H new ATOM 688 N ASN A 48 3.935 -5.799 6.140 1.00 0.00 N ATOM 689 CA ASN A 48 3.998 -7.138 6.702 1.00 0.00 C ATOM 690 C ASN A 48 3.960 -8.164 5.568 1.00 0.00 C ATOM 691 O ASN A 48 4.933 -8.882 5.343 1.00 0.00 O ATOM 692 CB ASN A 48 2.805 -7.405 7.622 1.00 0.00 C ATOM 693 CG ASN A 48 3.257 -7.561 9.075 1.00 0.00 C ATOM 694 OD1 ASN A 48 3.755 -8.595 9.490 1.00 0.00 O ATOM 695 ND2 ASN A 48 3.057 -6.480 9.823 1.00 0.00 N ATOM 0 H ASN A 48 3.179 -5.219 6.503 1.00 0.00 H new ATOM 0 HA ASN A 48 4.921 -7.221 7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.092 -6.585 7.546 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.288 -8.308 7.299 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.325 -6.484 10.807 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.635 -5.647 9.413 1.00 0.00 H new ATOM 702 N ASN A 49 2.826 -8.201 4.884 1.00 0.00 N ATOM 703 CA ASN A 49 2.648 -9.128 3.779 1.00 0.00 C ATOM 704 C ASN A 49 3.924 -9.160 2.936 1.00 0.00 C ATOM 705 O ASN A 49 4.622 -10.173 2.898 1.00 0.00 O ATOM 706 CB ASN A 49 1.495 -8.691 2.874 1.00 0.00 C ATOM 707 CG ASN A 49 0.143 -9.022 3.509 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.342 -10.140 3.451 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.436 -7.990 4.117 1.00 0.00 N ATOM 0 H ASN A 49 2.021 -7.604 5.074 1.00 0.00 H new ATOM 0 HA ASN A 49 2.427 -10.111 4.195 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.560 -7.619 2.688 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.578 -9.188 1.908 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.341 -8.108 4.572 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.025 -7.080 4.128 1.00 0.00 H new ATOM 716 N ILE A 50 4.192 -8.040 2.281 1.00 0.00 N ATOM 717 CA ILE A 50 5.372 -7.927 1.441 1.00 0.00 C ATOM 718 C ILE A 50 6.567 -8.556 2.161 1.00 0.00 C ATOM 719 O ILE A 50 7.340 -9.297 1.556 1.00 0.00 O ATOM 720 CB ILE A 50 5.599 -6.471 1.029 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.539 -6.014 0.026 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.019 -6.268 0.496 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.231 -4.524 0.194 1.00 0.00 C ATOM 0 H ILE A 50 3.611 -7.202 2.315 1.00 0.00 H new ATOM 0 HA ILE A 50 5.232 -8.479 0.511 1.00 0.00 H new ATOM 0 HB ILE A 50 5.495 -5.844 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.887 -6.205 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.627 -6.595 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.155 -5.225 0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.739 -6.528 1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.176 -6.906 -0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.474 -4.225 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.860 -4.341 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.139 -3.944 0.031 1.00 0.00 H new ATOM 735 N LEU A 51 6.680 -8.238 3.442 1.00 0.00 N ATOM 736 CA LEU A 51 7.767 -8.763 4.251 1.00 0.00 C ATOM 737 C LEU A 51 7.652 -10.286 4.325 1.00 0.00 C ATOM 738 O LEU A 51 8.644 -10.996 4.163 1.00 0.00 O ATOM 739 CB LEU A 51 7.794 -8.081 5.620 1.00 0.00 C ATOM 740 CG LEU A 51 8.784 -6.924 5.774 1.00 0.00 C ATOM 741 CD1 LEU A 51 8.481 -6.107 7.031 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.227 -7.432 5.754 1.00 0.00 C ATOM 0 H LEU A 51 6.036 -7.623 3.940 1.00 0.00 H new ATOM 0 HA LEU A 51 8.728 -8.538 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.793 -7.708 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.025 -8.833 6.374 1.00 0.00 H new ATOM 0 HG LEU A 51 8.666 -6.256 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.199 -5.291 7.117 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.473 -5.698 6.965 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.555 -6.749 7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.911 -6.590 5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.378 -8.133 6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.422 -7.936 4.807 1.00 0.00 H new ATOM 754 N GLU A 52 6.433 -10.745 4.569 1.00 0.00 N ATOM 755 CA GLU A 52 6.176 -12.172 4.666 1.00 0.00 C ATOM 756 C GLU A 52 5.827 -12.743 3.291 1.00 0.00 C ATOM 757 O GLU A 52 5.237 -13.818 3.193 1.00 0.00 O ATOM 758 CB GLU A 52 5.065 -12.461 5.678 1.00 0.00 C ATOM 759 CG GLU A 52 5.476 -12.019 7.084 1.00 0.00 C ATOM 760 CD GLU A 52 5.724 -13.228 7.988 1.00 0.00 C ATOM 761 OE1 GLU A 52 6.848 -13.772 7.913 1.00 0.00 O ATOM 762 OE2 GLU A 52 4.785 -13.582 8.734 1.00 0.00 O ATOM 0 H GLU A 52 5.613 -10.154 4.702 1.00 0.00 H new ATOM 0 HA GLU A 52 7.083 -12.662 5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.154 -11.942 5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.838 -13.527 5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.379 -11.411 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.695 -11.392 7.515 1.00 0.00 H new ATOM 769 N GLU A 53 6.206 -11.999 2.262 1.00 0.00 N ATOM 770 CA GLU A 53 5.940 -12.418 0.897 1.00 0.00 C ATOM 771 C GLU A 53 4.555 -13.060 0.798 1.00 0.00 C ATOM 772 O GLU A 53 4.358 -14.007 0.038 1.00 0.00 O ATOM 773 CB GLU A 53 7.024 -13.374 0.396 1.00 0.00 C ATOM 774 CG GLU A 53 8.128 -12.614 -0.342 1.00 0.00 C ATOM 775 CD GLU A 53 9.509 -13.167 0.017 1.00 0.00 C ATOM 776 OE1 GLU A 53 9.931 -14.126 -0.664 1.00 0.00 O ATOM 777 OE2 GLU A 53 10.111 -12.618 0.965 1.00 0.00 O ATOM 0 H GLU A 53 6.695 -11.108 2.347 1.00 0.00 H new ATOM 0 HA GLU A 53 5.956 -11.535 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.452 -13.917 1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.581 -14.115 -0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.970 -12.690 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.079 -11.555 -0.087 1.00 0.00 H new ATOM 784 N ARG A 54 3.630 -12.518 1.578 1.00 0.00 N ATOM 785 CA ARG A 54 2.269 -13.026 1.588 1.00 0.00 C ATOM 786 C ARG A 54 1.340 -12.069 0.839 1.00 0.00 C ATOM 787 O ARG A 54 0.189 -11.882 1.231 1.00 0.00 O ATOM 788 CB ARG A 54 1.759 -13.205 3.020 1.00 0.00 C ATOM 789 CG ARG A 54 2.532 -14.310 3.743 1.00 0.00 C ATOM 790 CD ARG A 54 1.588 -15.198 4.556 1.00 0.00 C ATOM 791 NE ARG A 54 0.568 -15.799 3.669 1.00 0.00 N ATOM 792 CZ ARG A 54 -0.258 -16.788 4.035 1.00 0.00 C ATOM 793 NH1 ARG A 54 -0.190 -17.293 5.274 1.00 0.00 N ATOM 794 NH2 ARG A 54 -1.153 -17.272 3.163 1.00 0.00 N ATOM 0 H ARG A 54 3.797 -11.733 2.207 1.00 0.00 H new ATOM 0 HA ARG A 54 2.273 -13.996 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.861 -12.267 3.566 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.697 -13.450 3.004 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.072 -14.917 3.016 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.277 -13.866 4.403 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.155 -15.983 5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.103 -14.610 5.335 1.00 0.00 H new ATOM 0 HE ARG A 54 0.489 -15.437 2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.491 -16.924 5.938 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.819 -18.046 5.553 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.206 -16.887 2.220 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.782 -18.025 3.442 1.00 0.00 H new ATOM 808 N LEU A 55 1.874 -11.489 -0.226 1.00 0.00 N ATOM 809 CA LEU A 55 1.107 -10.556 -1.033 1.00 0.00 C ATOM 810 C LEU A 55 0.042 -11.324 -1.819 1.00 0.00 C ATOM 811 O LEU A 55 0.315 -12.397 -2.356 1.00 0.00 O ATOM 812 CB LEU A 55 2.037 -9.719 -1.914 1.00 0.00 C ATOM 813 CG LEU A 55 2.587 -8.439 -1.281 1.00 0.00 C ATOM 814 CD1 LEU A 55 3.461 -7.669 -2.273 1.00 0.00 C ATOM 815 CD2 LEU A 55 1.456 -7.574 -0.722 1.00 0.00 C ATOM 0 H LEU A 55 2.829 -11.647 -0.549 1.00 0.00 H new ATOM 0 HA LEU A 55 0.582 -9.844 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.879 -10.343 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.499 -9.449 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 55 3.223 -8.719 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.839 -6.764 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.299 -8.294 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.868 -7.400 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.874 -6.671 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.775 -7.300 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.912 -8.134 0.039 1.00 0.00 H new ATOM 827 N ALA A 56 -1.148 -10.745 -1.863 1.00 0.00 N ATOM 828 CA ALA A 56 -2.255 -11.362 -2.574 1.00 0.00 C ATOM 829 C ALA A 56 -1.845 -11.613 -4.027 1.00 0.00 C ATOM 830 O ALA A 56 -0.920 -10.980 -4.533 1.00 0.00 O ATOM 831 CB ALA A 56 -3.493 -10.470 -2.464 1.00 0.00 C ATOM 0 H ALA A 56 -1.370 -9.855 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.507 -12.325 -2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.323 -10.933 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.760 -10.346 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.279 -9.495 -2.902 1.00 0.00 H new ATOM 837 N PRO A 57 -2.572 -12.564 -4.673 1.00 0.00 N ATOM 838 CA PRO A 57 -2.294 -12.907 -6.057 1.00 0.00 C ATOM 839 C PRO A 57 -2.806 -11.821 -7.005 1.00 0.00 C ATOM 840 O PRO A 57 -2.545 -11.866 -8.206 1.00 0.00 O ATOM 841 CB PRO A 57 -2.970 -14.251 -6.273 1.00 0.00 C ATOM 842 CG PRO A 57 -3.987 -14.390 -5.152 1.00 0.00 C ATOM 843 CD PRO A 57 -3.675 -13.334 -4.105 1.00 0.00 C ATOM 0 HA PRO A 57 -1.227 -12.975 -6.267 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.455 -14.292 -7.248 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.243 -15.063 -6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.999 -14.259 -5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.939 -15.387 -4.714 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.541 -12.701 -3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.393 -13.789 -3.155 1.00 0.00 H new ATOM 851 N THR A 58 -3.527 -10.870 -6.429 1.00 0.00 N ATOM 852 CA THR A 58 -4.078 -9.774 -7.208 1.00 0.00 C ATOM 853 C THR A 58 -3.147 -8.561 -7.155 1.00 0.00 C ATOM 854 O THR A 58 -3.086 -7.779 -8.103 1.00 0.00 O ATOM 855 CB THR A 58 -5.485 -9.483 -6.684 1.00 0.00 C ATOM 856 OG1 THR A 58 -6.256 -10.598 -7.121 1.00 0.00 O ATOM 857 CG2 THR A 58 -6.134 -8.285 -7.382 1.00 0.00 C ATOM 0 H THR A 58 -3.742 -10.836 -5.433 1.00 0.00 H new ATOM 0 HA THR A 58 -4.156 -10.038 -8.263 1.00 0.00 H new ATOM 0 HB THR A 58 -5.441 -9.298 -5.611 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.183 -10.492 -6.822 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.131 -8.122 -6.973 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.525 -7.396 -7.220 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.209 -8.483 -8.451 1.00 0.00 H new ATOM 865 N LEU A 59 -2.445 -8.442 -6.038 1.00 0.00 N ATOM 866 CA LEU A 59 -1.520 -7.337 -5.849 1.00 0.00 C ATOM 867 C LEU A 59 -0.134 -7.747 -6.349 1.00 0.00 C ATOM 868 O LEU A 59 0.509 -7.003 -7.087 1.00 0.00 O ATOM 869 CB LEU A 59 -1.535 -6.869 -4.392 1.00 0.00 C ATOM 870 CG LEU A 59 -2.914 -6.743 -3.742 1.00 0.00 C ATOM 871 CD1 LEU A 59 -2.792 -6.559 -2.228 1.00 0.00 C ATOM 872 CD2 LEU A 59 -3.726 -5.621 -4.392 1.00 0.00 C ATOM 0 H LEU A 59 -2.498 -9.093 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.830 -6.475 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.939 -7.565 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.040 -5.900 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.457 -7.673 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.787 -6.472 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.280 -7.419 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.222 -5.654 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.702 -5.553 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.197 -4.675 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.858 -5.835 -5.453 1.00 0.00 H new ATOM 884 N SER A 60 0.286 -8.931 -5.927 1.00 0.00 N ATOM 885 CA SER A 60 1.584 -9.450 -6.323 1.00 0.00 C ATOM 886 C SER A 60 1.718 -9.418 -7.847 1.00 0.00 C ATOM 887 O SER A 60 2.812 -9.225 -8.374 1.00 0.00 O ATOM 888 CB SER A 60 1.791 -10.873 -5.802 1.00 0.00 C ATOM 889 OG SER A 60 3.170 -11.175 -5.606 1.00 0.00 O ATOM 0 H SER A 60 -0.250 -9.546 -5.315 1.00 0.00 H new ATOM 0 HA SER A 60 2.354 -8.816 -5.883 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.256 -10.996 -4.860 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.361 -11.584 -6.508 1.00 0.00 H new ATOM 0 HG SER A 60 3.260 -12.092 -5.271 1.00 0.00 H new ATOM 895 N GLN A 61 0.588 -9.611 -8.512 1.00 0.00 N ATOM 896 CA GLN A 61 0.565 -9.607 -9.965 1.00 0.00 C ATOM 897 C GLN A 61 0.604 -8.171 -10.493 1.00 0.00 C ATOM 898 O GLN A 61 1.287 -7.885 -11.474 1.00 0.00 O ATOM 899 CB GLN A 61 -0.660 -10.353 -10.496 1.00 0.00 C ATOM 900 CG GLN A 61 -1.953 -9.645 -10.088 1.00 0.00 C ATOM 901 CD GLN A 61 -3.177 -10.368 -10.655 1.00 0.00 C ATOM 902 OE1 GLN A 61 -3.133 -11.536 -11.004 1.00 0.00 O ATOM 903 NE2 GLN A 61 -4.268 -9.610 -10.726 1.00 0.00 N ATOM 0 H GLN A 61 -0.318 -9.771 -8.071 1.00 0.00 H new ATOM 0 HA GLN A 61 1.452 -10.130 -10.324 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.606 -10.421 -11.583 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.663 -11.373 -10.112 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.022 -9.604 -9.001 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.936 -8.615 -10.446 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.235 -8.639 -10.416 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.137 -10.000 -11.090 1.00 0.00 H new ATOM 912 N LEU A 62 -0.139 -7.306 -9.818 1.00 0.00 N ATOM 913 CA LEU A 62 -0.198 -5.907 -10.206 1.00 0.00 C ATOM 914 C LEU A 62 1.215 -5.409 -10.517 1.00 0.00 C ATOM 915 O LEU A 62 2.197 -5.992 -10.061 1.00 0.00 O ATOM 916 CB LEU A 62 -0.919 -5.084 -9.136 1.00 0.00 C ATOM 917 CG LEU A 62 -2.431 -4.934 -9.312 1.00 0.00 C ATOM 918 CD1 LEU A 62 -3.038 -4.123 -8.165 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.767 -4.333 -10.679 1.00 0.00 C ATOM 0 H LEU A 62 -0.705 -7.547 -9.005 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.786 -5.788 -11.116 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.730 -5.542 -8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.475 -4.089 -9.111 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.879 -5.927 -9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.114 -4.031 -8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.845 -4.629 -7.219 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.588 -3.130 -8.144 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.848 -4.237 -10.778 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.306 -3.349 -10.767 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.387 -4.984 -11.466 1.00 0.00 H new ATOM 931 N ASP A 63 1.271 -4.335 -11.291 1.00 0.00 N ATOM 932 CA ASP A 63 2.547 -3.751 -11.669 1.00 0.00 C ATOM 933 C ASP A 63 3.272 -3.264 -10.413 1.00 0.00 C ATOM 934 O ASP A 63 2.807 -2.344 -9.741 1.00 0.00 O ATOM 935 CB ASP A 63 2.351 -2.551 -12.597 1.00 0.00 C ATOM 936 CG ASP A 63 3.161 -2.597 -13.894 1.00 0.00 C ATOM 937 OD1 ASP A 63 3.815 -3.638 -14.118 1.00 0.00 O ATOM 938 OD2 ASP A 63 3.108 -1.589 -14.632 1.00 0.00 O ATOM 0 H ASP A 63 0.454 -3.854 -11.667 1.00 0.00 H new ATOM 0 HA ASP A 63 3.127 -4.515 -12.186 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.293 -2.475 -12.849 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.615 -1.644 -12.054 1.00 0.00 H new ATOM 943 N ARG A 64 4.399 -3.902 -10.133 1.00 0.00 N ATOM 944 CA ARG A 64 5.192 -3.545 -8.969 1.00 0.00 C ATOM 945 C ARG A 64 5.498 -2.046 -8.975 1.00 0.00 C ATOM 946 O ARG A 64 5.574 -1.421 -7.918 1.00 0.00 O ATOM 947 CB ARG A 64 6.508 -4.326 -8.939 1.00 0.00 C ATOM 948 CG ARG A 64 6.261 -5.804 -8.627 1.00 0.00 C ATOM 949 CD ARG A 64 7.229 -6.307 -7.554 1.00 0.00 C ATOM 950 NE ARG A 64 8.576 -6.497 -8.137 1.00 0.00 N ATOM 951 CZ ARG A 64 8.909 -7.514 -8.943 1.00 0.00 C ATOM 952 NH1 ARG A 64 7.995 -8.439 -9.268 1.00 0.00 N ATOM 953 NH2 ARG A 64 10.156 -7.606 -9.425 1.00 0.00 N ATOM 0 H ARG A 64 4.782 -4.664 -10.692 1.00 0.00 H new ATOM 0 HA ARG A 64 4.611 -3.798 -8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.012 -4.233 -9.901 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.172 -3.898 -8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.234 -5.941 -8.289 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.379 -6.396 -9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.277 -5.593 -6.732 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.868 -7.248 -7.138 1.00 0.00 H new ATOM 0 HE ARG A 64 9.296 -5.811 -7.911 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.046 -8.369 -8.902 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.249 -9.213 -9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.851 -6.902 -9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.410 -8.380 -10.039 1.00 0.00 H new ATOM 967 N ASN A 65 5.664 -1.513 -10.176 1.00 0.00 N ATOM 968 CA ASN A 65 5.959 -0.099 -10.333 1.00 0.00 C ATOM 969 C ASN A 65 4.735 0.612 -10.914 1.00 0.00 C ATOM 970 O ASN A 65 4.846 1.343 -11.897 1.00 0.00 O ATOM 971 CB ASN A 65 7.131 0.117 -11.292 1.00 0.00 C ATOM 972 CG ASN A 65 6.832 -0.488 -12.666 1.00 0.00 C ATOM 973 OD1 ASN A 65 5.768 -1.029 -12.917 1.00 0.00 O ATOM 974 ND2 ASN A 65 7.828 -0.366 -13.539 1.00 0.00 N ATOM 0 H ASN A 65 5.600 -2.035 -11.050 1.00 0.00 H new ATOM 0 HA ASN A 65 6.217 0.302 -9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.329 1.184 -11.395 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.032 -0.336 -10.879 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.726 -0.737 -14.484 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.693 0.099 -13.264 1.00 0.00 H new ATOM 981 N LEU A 66 3.595 0.372 -10.282 1.00 0.00 N ATOM 982 CA LEU A 66 2.352 0.980 -10.724 1.00 0.00 C ATOM 983 C LEU A 66 2.304 2.435 -10.251 1.00 0.00 C ATOM 984 O LEU A 66 2.729 2.744 -9.139 1.00 0.00 O ATOM 985 CB LEU A 66 1.155 0.145 -10.266 1.00 0.00 C ATOM 986 CG LEU A 66 -0.206 0.558 -10.830 1.00 0.00 C ATOM 987 CD1 LEU A 66 -0.643 -0.387 -11.952 1.00 0.00 C ATOM 988 CD2 LEU A 66 -1.255 0.653 -9.720 1.00 0.00 C ATOM 0 H LEU A 66 3.507 -0.235 -9.467 1.00 0.00 H new ATOM 0 HA LEU A 66 2.302 0.997 -11.813 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.338 -0.895 -10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.103 0.187 -9.178 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.108 1.553 -11.265 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.613 -0.072 -12.336 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.092 -0.361 -12.757 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.719 -1.403 -11.563 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.213 0.948 -10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.359 -0.317 -9.233 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.942 1.395 -8.986 1.00 0.00 H new ATOM 1000 N ASP A 67 1.784 3.289 -11.120 1.00 0.00 N ATOM 1001 CA ASP A 67 1.675 4.703 -10.806 1.00 0.00 C ATOM 1002 C ASP A 67 0.234 5.022 -10.401 1.00 0.00 C ATOM 1003 O ASP A 67 -0.659 4.194 -10.570 1.00 0.00 O ATOM 1004 CB ASP A 67 2.027 5.566 -12.019 1.00 0.00 C ATOM 1005 CG ASP A 67 1.873 7.074 -11.808 1.00 0.00 C ATOM 1006 OD1 ASP A 67 2.792 7.658 -11.194 1.00 0.00 O ATOM 1007 OD2 ASP A 67 0.839 7.608 -12.264 1.00 0.00 O ATOM 0 H ASP A 67 1.433 3.029 -12.042 1.00 0.00 H new ATOM 0 HA ASP A 67 2.369 4.922 -9.994 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.058 5.358 -12.307 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.396 5.265 -12.855 1.00 0.00 H new