USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=9 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 180:sc= -0.0438 USER MOD Set 1.2: A 49 ASN : amide:sc= -4.22! C(o=-4.3!,f=-6.2!) 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=-0.00132 X(o=-0.0013,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -150:sc= -0.147 (180deg=-1.31) USER MOD Single : A 35 CYS SG : rot 134:sc= -0.785 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.594 K(o=0.59,f=-0.54) USER MOD Single : A 48 ASN : amide:sc= 0.457 X(o=0.46,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= 0.757 K(o=0.76,f=-0.3) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 13 -4.523 9.186 3.914 1.00 0.00 N ATOM 133 CA LEU A 13 -4.306 8.343 2.751 1.00 0.00 C ATOM 134 C LEU A 13 -2.891 8.570 2.217 1.00 0.00 C ATOM 135 O LEU A 13 -2.106 7.630 2.106 1.00 0.00 O ATOM 136 CB LEU A 13 -5.402 8.576 1.709 1.00 0.00 C ATOM 137 CG LEU A 13 -5.817 7.353 0.887 1.00 0.00 C ATOM 138 CD1 LEU A 13 -7.228 7.527 0.320 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.792 7.054 -0.208 1.00 0.00 C ATOM 0 HA LEU A 13 -4.377 7.290 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.284 8.963 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.064 9.353 1.023 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.840 6.488 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.499 6.644 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.936 7.654 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.256 8.406 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.111 6.181 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.712 7.912 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.821 6.856 0.247 1.00 0.00 H new ATOM 151 N ASP A 14 -2.607 9.825 1.899 1.00 0.00 N ATOM 152 CA ASP A 14 -1.300 10.189 1.379 1.00 0.00 C ATOM 153 C ASP A 14 -0.217 9.663 2.323 1.00 0.00 C ATOM 154 O ASP A 14 0.756 9.055 1.880 1.00 0.00 O ATOM 155 CB ASP A 14 -1.148 11.708 1.285 1.00 0.00 C ATOM 156 CG ASP A 14 0.073 12.188 0.498 1.00 0.00 C ATOM 157 OD1 ASP A 14 1.062 11.424 0.464 1.00 0.00 O ATOM 158 OD2 ASP A 14 -0.009 13.308 -0.051 1.00 0.00 O ATOM 0 H ASP A 14 -3.260 10.603 1.992 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.200 9.755 0.384 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.045 12.120 0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.094 12.116 2.294 1.00 0.00 H new ATOM 163 N SER A 15 -0.421 9.918 3.607 1.00 0.00 N ATOM 164 CA SER A 15 0.526 9.478 4.617 1.00 0.00 C ATOM 165 C SER A 15 0.720 7.963 4.529 1.00 0.00 C ATOM 166 O SER A 15 1.839 7.485 4.352 1.00 0.00 O ATOM 167 CB SER A 15 0.059 9.872 6.020 1.00 0.00 C ATOM 168 OG SER A 15 0.874 9.295 7.036 1.00 0.00 O ATOM 0 H SER A 15 -1.228 10.424 3.971 1.00 0.00 H new ATOM 0 HA SER A 15 1.479 9.972 4.429 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.075 10.958 6.116 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.974 9.555 6.160 1.00 0.00 H new ATOM 0 HG SER A 15 0.544 9.572 7.916 1.00 0.00 H new ATOM 174 N LEU A 16 -0.389 7.248 4.656 1.00 0.00 N ATOM 175 CA LEU A 16 -0.355 5.797 4.593 1.00 0.00 C ATOM 176 C LEU A 16 0.607 5.361 3.486 1.00 0.00 C ATOM 177 O LEU A 16 1.540 4.599 3.735 1.00 0.00 O ATOM 178 CB LEU A 16 -1.769 5.235 4.435 1.00 0.00 C ATOM 179 CG LEU A 16 -2.739 5.526 5.582 1.00 0.00 C ATOM 180 CD1 LEU A 16 -4.142 5.007 5.259 1.00 0.00 C ATOM 181 CD2 LEU A 16 -2.210 4.964 6.903 1.00 0.00 C ATOM 0 H LEU A 16 -1.316 7.647 4.802 1.00 0.00 H new ATOM 0 HA LEU A 16 0.025 5.384 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.196 5.633 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.697 4.154 4.312 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.815 6.607 5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.812 5.227 6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.512 5.495 4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.103 3.929 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.918 5.184 7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.086 3.885 6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.248 5.422 7.134 1.00 0.00 H new ATOM 193 N ILE A 17 0.347 5.863 2.288 1.00 0.00 N ATOM 194 CA ILE A 17 1.178 5.535 1.142 1.00 0.00 C ATOM 195 C ILE A 17 2.632 5.895 1.453 1.00 0.00 C ATOM 196 O ILE A 17 3.470 5.012 1.632 1.00 0.00 O ATOM 197 CB ILE A 17 0.636 6.205 -0.122 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.680 5.560 -0.563 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.682 6.194 -1.239 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.374 6.407 -1.631 1.00 0.00 C ATOM 0 H ILE A 17 -0.428 6.495 2.086 1.00 0.00 H new ATOM 0 HA ILE A 17 1.149 4.463 0.944 1.00 0.00 H new ATOM 0 HB ILE A 17 0.422 7.248 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.486 4.561 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.338 5.443 0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.272 6.676 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.570 6.734 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.950 5.164 -1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.307 5.927 -1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.588 7.397 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.723 6.502 -2.500 1.00 0.00 H new ATOM 212 N SER A 18 2.888 7.194 1.509 1.00 0.00 N ATOM 213 CA SER A 18 4.227 7.681 1.795 1.00 0.00 C ATOM 214 C SER A 18 4.882 6.810 2.869 1.00 0.00 C ATOM 215 O SER A 18 5.999 6.327 2.685 1.00 0.00 O ATOM 216 CB SER A 18 4.196 9.144 2.244 1.00 0.00 C ATOM 217 OG SER A 18 5.489 9.616 2.613 1.00 0.00 O ATOM 0 H SER A 18 2.191 7.924 1.361 1.00 0.00 H new ATOM 0 HA SER A 18 4.816 7.622 0.880 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.801 9.762 1.438 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.516 9.250 3.090 1.00 0.00 H new ATOM 0 HG SER A 18 5.428 10.553 2.892 1.00 0.00 H new ATOM 223 N GLN A 19 4.161 6.636 3.966 1.00 0.00 N ATOM 224 CA GLN A 19 4.658 5.831 5.069 1.00 0.00 C ATOM 225 C GLN A 19 5.293 4.543 4.542 1.00 0.00 C ATOM 226 O GLN A 19 6.435 4.229 4.874 1.00 0.00 O ATOM 227 CB GLN A 19 3.543 5.524 6.070 1.00 0.00 C ATOM 228 CG GLN A 19 3.107 6.789 6.812 1.00 0.00 C ATOM 229 CD GLN A 19 3.143 6.576 8.327 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.187 6.392 8.929 1.00 0.00 O ATOM 231 NE2 GLN A 19 1.946 6.610 8.906 1.00 0.00 N ATOM 0 H GLN A 19 3.236 7.039 4.115 1.00 0.00 H new ATOM 0 HA GLN A 19 5.424 6.402 5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.689 5.092 5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.888 4.779 6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.762 7.617 6.542 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.099 7.066 6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.111 6.769 8.342 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.863 6.477 9.914 1.00 0.00 H new ATOM 240 N VAL A 20 4.525 3.832 3.730 1.00 0.00 N ATOM 241 CA VAL A 20 4.998 2.584 3.154 1.00 0.00 C ATOM 242 C VAL A 20 6.142 2.878 2.181 1.00 0.00 C ATOM 243 O VAL A 20 7.243 2.353 2.335 1.00 0.00 O ATOM 244 CB VAL A 20 3.835 1.835 2.501 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.334 0.607 1.737 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.782 1.444 3.540 1.00 0.00 C ATOM 0 H VAL A 20 3.578 4.096 3.457 1.00 0.00 H new ATOM 0 HA VAL A 20 5.392 1.930 3.931 1.00 0.00 H new ATOM 0 HB VAL A 20 3.364 2.507 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.487 0.093 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.029 0.921 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.842 -0.068 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.966 0.913 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.235 0.798 4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.393 2.342 4.020 1.00 0.00 H new ATOM 256 N LYS A 21 5.841 3.717 1.201 1.00 0.00 N ATOM 257 CA LYS A 21 6.830 4.087 0.202 1.00 0.00 C ATOM 258 C LYS A 21 8.164 4.372 0.894 1.00 0.00 C ATOM 259 O LYS A 21 9.181 3.762 0.566 1.00 0.00 O ATOM 260 CB LYS A 21 6.319 5.249 -0.652 1.00 0.00 C ATOM 261 CG LYS A 21 7.071 5.322 -1.983 1.00 0.00 C ATOM 262 CD LYS A 21 6.192 5.933 -3.076 1.00 0.00 C ATOM 263 CE LYS A 21 6.820 7.211 -3.634 1.00 0.00 C ATOM 264 NZ LYS A 21 6.328 7.475 -5.005 1.00 0.00 N ATOM 0 H LYS A 21 4.926 4.151 1.077 1.00 0.00 H new ATOM 0 HA LYS A 21 7.000 3.263 -0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.252 5.126 -0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.442 6.186 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.975 5.919 -1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.387 4.322 -2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.052 5.211 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.205 6.155 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.579 8.054 -2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.906 7.116 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.061 7.975 -5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.106 6.574 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.471 8.062 -4.959 1.00 0.00 H new ATOM 278 N ASP A 22 8.118 5.300 1.839 1.00 0.00 N ATOM 279 CA ASP A 22 9.310 5.674 2.580 1.00 0.00 C ATOM 280 C ASP A 22 10.113 4.415 2.916 1.00 0.00 C ATOM 281 O ASP A 22 11.342 4.445 2.937 1.00 0.00 O ATOM 282 CB ASP A 22 8.947 6.367 3.895 1.00 0.00 C ATOM 283 CG ASP A 22 8.909 7.895 3.831 1.00 0.00 C ATOM 284 OD1 ASP A 22 9.893 8.466 3.313 1.00 0.00 O ATOM 285 OD2 ASP A 22 7.897 8.458 4.302 1.00 0.00 O ATOM 0 H ASP A 22 7.273 5.804 2.108 1.00 0.00 H new ATOM 0 HA ASP A 22 9.891 6.357 1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.971 6.008 4.220 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.667 6.068 4.657 1.00 0.00 H new ATOM 290 N LEU A 23 9.384 3.337 3.170 1.00 0.00 N ATOM 291 CA LEU A 23 10.013 2.070 3.503 1.00 0.00 C ATOM 292 C LEU A 23 10.290 1.290 2.216 1.00 0.00 C ATOM 293 O LEU A 23 11.330 0.645 2.089 1.00 0.00 O ATOM 294 CB LEU A 23 9.164 1.302 4.517 1.00 0.00 C ATOM 295 CG LEU A 23 9.152 1.860 5.942 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.275 1.006 6.859 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.575 2.008 6.485 1.00 0.00 C ATOM 0 H LEU A 23 8.364 3.315 3.152 1.00 0.00 H new ATOM 0 HA LEU A 23 10.975 2.237 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.137 1.271 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.521 0.273 4.554 1.00 0.00 H new ATOM 0 HG LEU A 23 8.712 2.857 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.284 1.425 7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.253 0.996 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.661 -0.013 6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.538 2.406 7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.064 1.034 6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.139 2.690 5.848 1.00 0.00 H new ATOM 309 N LEU A 24 9.342 1.374 1.295 1.00 0.00 N ATOM 310 CA LEU A 24 9.471 0.683 0.023 1.00 0.00 C ATOM 311 C LEU A 24 9.290 1.686 -1.118 1.00 0.00 C ATOM 312 O LEU A 24 8.253 1.699 -1.779 1.00 0.00 O ATOM 313 CB LEU A 24 8.507 -0.504 -0.043 1.00 0.00 C ATOM 314 CG LEU A 24 8.762 -1.631 0.959 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.729 -2.748 0.803 1.00 0.00 C ATOM 316 CD2 LEU A 24 10.195 -2.155 0.842 1.00 0.00 C ATOM 0 H LEU A 24 8.481 1.910 1.404 1.00 0.00 H new ATOM 0 HA LEU A 24 10.470 0.259 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.494 -0.132 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.546 -0.923 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 24 8.648 -1.226 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.934 -3.536 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.730 -2.347 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.786 -3.158 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.350 -2.956 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.361 -2.538 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.896 -1.345 1.042 1.00 0.00 H new ATOM 328 N PRO A 25 10.342 2.525 -1.318 1.00 0.00 N ATOM 329 CA PRO A 25 10.309 3.529 -2.368 1.00 0.00 C ATOM 330 C PRO A 25 10.510 2.891 -3.744 1.00 0.00 C ATOM 331 O PRO A 25 10.039 3.418 -4.751 1.00 0.00 O ATOM 332 CB PRO A 25 11.407 4.514 -2.004 1.00 0.00 C ATOM 333 CG PRO A 25 12.316 3.784 -1.029 1.00 0.00 C ATOM 334 CD PRO A 25 11.586 2.538 -0.555 1.00 0.00 C ATOM 0 HA PRO A 25 9.346 4.034 -2.437 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.958 4.830 -2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.990 5.413 -1.551 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.256 3.516 -1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.563 4.426 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.174 1.639 -0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.393 2.576 0.517 1.00 0.00 H new ATOM 342 N ASP A 26 11.209 1.766 -3.743 1.00 0.00 N ATOM 343 CA ASP A 26 11.478 1.050 -4.978 1.00 0.00 C ATOM 344 C ASP A 26 10.157 0.765 -5.695 1.00 0.00 C ATOM 345 O ASP A 26 10.055 0.940 -6.909 1.00 0.00 O ATOM 346 CB ASP A 26 12.165 -0.288 -4.701 1.00 0.00 C ATOM 347 CG ASP A 26 13.680 -0.294 -4.913 1.00 0.00 C ATOM 348 OD1 ASP A 26 14.369 0.363 -4.103 1.00 0.00 O ATOM 349 OD2 ASP A 26 14.116 -0.955 -5.881 1.00 0.00 O ATOM 0 H ASP A 26 11.598 1.332 -2.906 1.00 0.00 H new ATOM 0 HA ASP A 26 12.132 1.670 -5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.956 -0.580 -3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.720 -1.047 -5.344 1.00 0.00 H new ATOM 354 N LEU A 27 9.179 0.329 -4.915 1.00 0.00 N ATOM 355 CA LEU A 27 7.869 0.018 -5.460 1.00 0.00 C ATOM 356 C LEU A 27 7.176 1.314 -5.884 1.00 0.00 C ATOM 357 O LEU A 27 7.480 2.385 -5.360 1.00 0.00 O ATOM 358 CB LEU A 27 7.059 -0.815 -4.464 1.00 0.00 C ATOM 359 CG LEU A 27 7.599 -2.215 -4.164 1.00 0.00 C ATOM 360 CD1 LEU A 27 6.953 -2.793 -2.904 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.428 -3.139 -5.372 1.00 0.00 C ATOM 0 H LEU A 27 9.268 0.184 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 27 7.965 -0.599 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.996 -0.263 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.043 -0.913 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 27 8.668 -2.134 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.354 -3.788 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.170 -2.146 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.874 -2.858 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.820 -4.128 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.370 -3.219 -5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.972 -2.730 -6.223 1.00 0.00 H new ATOM 373 N GLY A 28 6.259 1.175 -6.831 1.00 0.00 N ATOM 374 CA GLY A 28 5.521 2.322 -7.332 1.00 0.00 C ATOM 375 C GLY A 28 4.261 2.569 -6.500 1.00 0.00 C ATOM 376 O GLY A 28 3.606 1.623 -6.063 1.00 0.00 O ATOM 0 H GLY A 28 6.011 0.286 -7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.157 3.207 -7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.247 2.156 -8.374 1.00 0.00 H new ATOM 380 N GLU A 29 3.958 3.844 -6.307 1.00 0.00 N ATOM 381 CA GLU A 29 2.787 4.227 -5.536 1.00 0.00 C ATOM 382 C GLU A 29 1.564 3.433 -6.000 1.00 0.00 C ATOM 383 O GLU A 29 0.863 2.834 -5.186 1.00 0.00 O ATOM 384 CB GLU A 29 2.534 5.732 -5.635 1.00 0.00 C ATOM 385 CG GLU A 29 3.159 6.472 -4.450 1.00 0.00 C ATOM 386 CD GLU A 29 2.898 7.977 -4.544 1.00 0.00 C ATOM 387 OE1 GLU A 29 3.552 8.614 -5.398 1.00 0.00 O ATOM 388 OE2 GLU A 29 2.051 8.456 -3.759 1.00 0.00 O ATOM 0 H GLU A 29 4.503 4.625 -6.671 1.00 0.00 H new ATOM 0 HA GLU A 29 2.972 3.992 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.950 6.114 -6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.461 5.923 -5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.748 6.086 -3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.233 6.286 -4.426 1.00 0.00 H new ATOM 395 N GLY A 30 1.344 3.456 -7.306 1.00 0.00 N ATOM 396 CA GLY A 30 0.217 2.746 -7.888 1.00 0.00 C ATOM 397 C GLY A 30 -0.012 1.409 -7.181 1.00 0.00 C ATOM 398 O GLY A 30 -1.140 1.082 -6.814 1.00 0.00 O ATOM 0 H GLY A 30 1.927 3.955 -7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.681 3.359 -7.814 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.399 2.574 -8.949 1.00 0.00 H new ATOM 402 N PHE A 31 1.075 0.671 -7.012 1.00 0.00 N ATOM 403 CA PHE A 31 1.007 -0.623 -6.356 1.00 0.00 C ATOM 404 C PHE A 31 0.864 -0.463 -4.841 1.00 0.00 C ATOM 405 O PHE A 31 0.208 -1.273 -4.186 1.00 0.00 O ATOM 406 CB PHE A 31 2.319 -1.348 -6.659 1.00 0.00 C ATOM 407 CG PHE A 31 2.584 -2.558 -5.759 1.00 0.00 C ATOM 408 CD1 PHE A 31 2.127 -3.786 -6.120 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.278 -2.403 -4.600 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.372 -4.909 -5.285 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.524 -3.526 -3.765 1.00 0.00 C ATOM 412 CZ PHE A 31 3.066 -4.755 -4.125 1.00 0.00 C ATOM 0 H PHE A 31 2.009 0.945 -7.318 1.00 0.00 H new ATOM 0 HA PHE A 31 0.142 -1.179 -6.719 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.309 -1.676 -7.698 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.144 -0.643 -6.555 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.578 -3.908 -7.042 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.642 -1.427 -4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.007 -5.885 -5.571 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.075 -3.404 -2.844 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.253 -5.608 -3.490 1.00 0.00 H new ATOM 422 N ILE A 32 1.489 0.586 -4.327 1.00 0.00 N ATOM 423 CA ILE A 32 1.440 0.862 -2.901 1.00 0.00 C ATOM 424 C ILE A 32 0.009 1.232 -2.507 1.00 0.00 C ATOM 425 O ILE A 32 -0.459 0.858 -1.433 1.00 0.00 O ATOM 426 CB ILE A 32 2.476 1.924 -2.526 1.00 0.00 C ATOM 427 CG1 ILE A 32 3.887 1.474 -2.911 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.375 2.288 -1.043 1.00 0.00 C ATOM 429 CD1 ILE A 32 4.820 2.676 -3.074 1.00 0.00 C ATOM 0 H ILE A 32 2.032 1.255 -4.872 1.00 0.00 H new ATOM 0 HA ILE A 32 1.708 -0.027 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 32 2.260 2.828 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.281 0.805 -2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.851 0.908 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.122 3.044 -0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.380 2.680 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.551 1.399 -0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.816 2.329 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.436 3.331 -3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.873 3.226 -2.134 1.00 0.00 H new ATOM 441 N LEU A 33 -0.646 1.963 -3.397 1.00 0.00 N ATOM 442 CA LEU A 33 -2.014 2.388 -3.155 1.00 0.00 C ATOM 443 C LEU A 33 -2.936 1.168 -3.191 1.00 0.00 C ATOM 444 O LEU A 33 -3.700 0.935 -2.255 1.00 0.00 O ATOM 445 CB LEU A 33 -2.414 3.491 -4.138 1.00 0.00 C ATOM 446 CG LEU A 33 -3.896 3.872 -4.150 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.703 2.910 -5.023 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.452 3.959 -2.727 1.00 0.00 C ATOM 0 H LEU A 33 -0.255 2.272 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.106 2.829 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.831 4.383 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.132 3.175 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.990 4.864 -4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.753 3.204 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.326 2.943 -6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.606 1.897 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.507 4.231 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.344 2.993 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.902 4.715 -2.167 1.00 0.00 H new ATOM 460 N ALA A 34 -2.835 0.421 -4.280 1.00 0.00 N ATOM 461 CA ALA A 34 -3.651 -0.769 -4.450 1.00 0.00 C ATOM 462 C ALA A 34 -3.567 -1.624 -3.184 1.00 0.00 C ATOM 463 O ALA A 34 -4.585 -1.907 -2.554 1.00 0.00 O ATOM 464 CB ALA A 34 -3.193 -1.528 -5.698 1.00 0.00 C ATOM 0 H ALA A 34 -2.200 0.617 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.697 -0.500 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.805 -2.421 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.299 -0.887 -6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.148 -1.817 -5.585 1.00 0.00 H new ATOM 470 N CYS A 35 -2.345 -2.012 -2.850 1.00 0.00 N ATOM 471 CA CYS A 35 -2.115 -2.829 -1.671 1.00 0.00 C ATOM 472 C CYS A 35 -2.913 -2.231 -0.510 1.00 0.00 C ATOM 473 O CYS A 35 -3.818 -2.873 0.022 1.00 0.00 O ATOM 474 CB CYS A 35 -0.625 -2.941 -1.342 1.00 0.00 C ATOM 475 SG CYS A 35 0.104 -4.371 -2.220 1.00 0.00 S ATOM 0 H CYS A 35 -1.503 -1.776 -3.376 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.455 -3.847 -1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.110 -2.025 -1.632 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.489 -3.056 -0.267 1.00 0.00 H new ATOM 0 HG CYS A 35 1.223 -4.014 -2.777 1.00 0.00 H new ATOM 481 N LEU A 36 -2.549 -1.009 -0.150 1.00 0.00 N ATOM 482 CA LEU A 36 -3.219 -0.318 0.938 1.00 0.00 C ATOM 483 C LEU A 36 -4.726 -0.565 0.841 1.00 0.00 C ATOM 484 O LEU A 36 -5.319 -1.166 1.736 1.00 0.00 O ATOM 485 CB LEU A 36 -2.837 1.163 0.948 1.00 0.00 C ATOM 486 CG LEU A 36 -1.530 1.515 1.661 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.879 2.750 1.035 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.755 1.685 3.165 1.00 0.00 C ATOM 0 H LEU A 36 -1.798 -0.480 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.892 -0.713 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.768 1.507 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.646 1.723 1.417 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.835 0.685 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.048 2.978 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.662 2.554 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.559 3.599 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.810 1.935 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.474 2.486 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.141 0.755 3.582 1.00 0.00 H new ATOM 500 N GLU A 37 -5.302 -0.088 -0.252 1.00 0.00 N ATOM 501 CA GLU A 37 -6.729 -0.249 -0.477 1.00 0.00 C ATOM 502 C GLU A 37 -7.162 -1.676 -0.136 1.00 0.00 C ATOM 503 O GLU A 37 -8.003 -1.881 0.738 1.00 0.00 O ATOM 504 CB GLU A 37 -7.100 0.107 -1.918 1.00 0.00 C ATOM 505 CG GLU A 37 -7.273 1.619 -2.082 1.00 0.00 C ATOM 506 CD GLU A 37 -8.516 1.941 -2.914 1.00 0.00 C ATOM 507 OE1 GLU A 37 -9.551 1.284 -2.666 1.00 0.00 O ATOM 508 OE2 GLU A 37 -8.404 2.836 -3.779 1.00 0.00 O ATOM 0 H GLU A 37 -4.807 0.410 -0.992 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.261 0.438 0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.324 -0.250 -2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.024 -0.401 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.356 2.088 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.390 2.040 -2.563 1.00 0.00 H new ATOM 515 N TYR A 38 -6.568 -2.626 -0.843 1.00 0.00 N ATOM 516 CA TYR A 38 -6.883 -4.028 -0.626 1.00 0.00 C ATOM 517 C TYR A 38 -6.882 -4.365 0.866 1.00 0.00 C ATOM 518 O TYR A 38 -7.813 -4.995 1.364 1.00 0.00 O ATOM 519 CB TYR A 38 -5.771 -4.821 -1.317 1.00 0.00 C ATOM 520 CG TYR A 38 -6.029 -6.328 -1.380 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.831 -7.109 -0.259 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.460 -6.905 -2.557 1.00 0.00 C ATOM 523 CE1 TYR A 38 -6.074 -8.527 -0.318 1.00 0.00 C ATOM 524 CE2 TYR A 38 -6.702 -8.324 -2.616 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.498 -9.064 -1.494 1.00 0.00 C ATOM 526 OH TYR A 38 -6.727 -10.404 -1.550 1.00 0.00 O ATOM 0 H TYR A 38 -5.870 -2.453 -1.567 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.872 -4.265 -1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.644 -4.442 -2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.833 -4.645 -0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.494 -6.657 0.662 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.616 -6.293 -3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.923 -9.150 0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.038 -8.789 -3.531 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.026 -10.647 -2.451 1.00 0.00 H new ATOM 536 N TYR A 39 -5.826 -3.930 1.538 1.00 0.00 N ATOM 537 CA TYR A 39 -5.692 -4.178 2.963 1.00 0.00 C ATOM 538 C TYR A 39 -6.318 -3.045 3.778 1.00 0.00 C ATOM 539 O TYR A 39 -5.726 -2.571 4.747 1.00 0.00 O ATOM 540 CB TYR A 39 -4.188 -4.221 3.244 1.00 0.00 C ATOM 541 CG TYR A 39 -3.495 -5.483 2.727 1.00 0.00 C ATOM 542 CD1 TYR A 39 -3.633 -6.675 3.408 1.00 0.00 C ATOM 543 CD2 TYR A 39 -2.731 -5.429 1.579 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.981 -7.863 2.921 1.00 0.00 C ATOM 545 CE2 TYR A 39 -2.078 -6.617 1.092 1.00 0.00 C ATOM 546 CZ TYR A 39 -2.235 -7.775 1.787 1.00 0.00 C ATOM 547 OH TYR A 39 -1.618 -8.897 1.327 1.00 0.00 O ATOM 0 H TYR A 39 -5.055 -3.407 1.122 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.196 -5.104 3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.719 -3.349 2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.027 -4.145 4.319 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.230 -6.717 4.307 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.623 -4.496 1.046 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.082 -8.802 3.444 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.477 -6.589 0.195 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.121 -8.685 0.509 1.00 0.00 H new ATOM 557 N HIS A 40 -7.508 -2.643 3.356 1.00 0.00 N ATOM 558 CA HIS A 40 -8.221 -1.574 4.035 1.00 0.00 C ATOM 559 C HIS A 40 -7.235 -0.478 4.444 1.00 0.00 C ATOM 560 O HIS A 40 -7.059 -0.208 5.631 1.00 0.00 O ATOM 561 CB HIS A 40 -9.023 -2.122 5.217 1.00 0.00 C ATOM 562 CG HIS A 40 -10.295 -2.834 4.820 1.00 0.00 C ATOM 563 ND1 HIS A 40 -11.553 -2.321 5.082 1.00 0.00 N ATOM 564 CD2 HIS A 40 -10.488 -4.021 4.178 1.00 0.00 C ATOM 565 CE1 HIS A 40 -12.456 -3.171 4.614 1.00 0.00 C ATOM 566 NE2 HIS A 40 -11.794 -4.224 4.055 1.00 0.00 N ATOM 0 H HIS A 40 -7.996 -3.038 2.552 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.946 -1.126 3.355 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.394 -2.811 5.781 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.273 -1.299 5.886 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.710 -4.684 3.829 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.528 -3.051 4.666 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.230 -5.034 3.615 1.00 0.00 H new ATOM 574 N TYR A 41 -6.618 0.123 3.437 1.00 0.00 N ATOM 575 CA TYR A 41 -5.655 1.184 3.677 1.00 0.00 C ATOM 576 C TYR A 41 -4.820 0.894 4.926 1.00 0.00 C ATOM 577 O TYR A 41 -4.796 1.694 5.861 1.00 0.00 O ATOM 578 CB TYR A 41 -6.475 2.454 3.910 1.00 0.00 C ATOM 579 CG TYR A 41 -7.194 2.968 2.661 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.463 3.408 1.576 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.573 2.992 2.620 1.00 0.00 C ATOM 582 CE1 TYR A 41 -7.140 3.892 0.401 1.00 0.00 C ATOM 583 CE2 TYR A 41 -9.250 3.476 1.444 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.500 3.902 0.393 1.00 0.00 C ATOM 585 OH TYR A 41 -9.139 4.359 -0.717 1.00 0.00 O ATOM 0 H TYR A 41 -6.766 -0.105 2.454 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.970 1.278 2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.213 2.260 4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.815 3.237 4.285 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.384 3.389 1.608 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.145 2.648 3.469 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.580 4.239 -0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.329 3.500 1.398 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.108 4.307 -0.581 1.00 0.00 H new ATOM 595 N ASP A 42 -4.155 -0.251 4.902 1.00 0.00 N ATOM 596 CA ASP A 42 -3.321 -0.657 6.021 1.00 0.00 C ATOM 597 C ASP A 42 -1.864 -0.739 5.562 1.00 0.00 C ATOM 598 O ASP A 42 -1.532 -1.525 4.677 1.00 0.00 O ATOM 599 CB ASP A 42 -3.731 -2.036 6.542 1.00 0.00 C ATOM 600 CG ASP A 42 -3.076 -2.449 7.862 1.00 0.00 C ATOM 601 OD1 ASP A 42 -1.831 -2.364 7.928 1.00 0.00 O ATOM 602 OD2 ASP A 42 -3.835 -2.841 8.774 1.00 0.00 O ATOM 0 H ASP A 42 -4.176 -0.911 4.125 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.442 0.079 6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.813 -2.052 6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.488 -2.781 5.784 1.00 0.00 H new ATOM 607 N PRO A 43 -1.012 0.106 6.202 1.00 0.00 N ATOM 608 CA PRO A 43 0.402 0.137 5.869 1.00 0.00 C ATOM 609 C PRO A 43 1.127 -1.083 6.441 1.00 0.00 C ATOM 610 O PRO A 43 1.708 -1.870 5.696 1.00 0.00 O ATOM 611 CB PRO A 43 0.912 1.451 6.437 1.00 0.00 C ATOM 612 CG PRO A 43 -0.119 1.889 7.465 1.00 0.00 C ATOM 613 CD PRO A 43 -1.370 1.052 7.256 1.00 0.00 C ATOM 0 HA PRO A 43 0.582 0.086 4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.892 1.324 6.897 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.023 2.199 5.652 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.267 1.753 8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.345 2.949 7.351 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.658 0.535 8.171 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.216 1.672 6.961 1.00 0.00 H new ATOM 621 N GLU A 44 1.068 -1.201 7.760 1.00 0.00 N ATOM 622 CA GLU A 44 1.712 -2.312 8.441 1.00 0.00 C ATOM 623 C GLU A 44 1.395 -3.627 7.727 1.00 0.00 C ATOM 624 O GLU A 44 2.302 -4.344 7.306 1.00 0.00 O ATOM 625 CB GLU A 44 1.293 -2.370 9.911 1.00 0.00 C ATOM 626 CG GLU A 44 2.510 -2.541 10.822 1.00 0.00 C ATOM 627 CD GLU A 44 2.221 -3.543 11.942 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.679 -4.620 11.613 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.548 -3.209 13.101 1.00 0.00 O ATOM 0 H GLU A 44 0.585 -0.546 8.375 1.00 0.00 H new ATOM 0 HA GLU A 44 2.790 -2.156 8.411 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.760 -1.457 10.177 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.601 -3.198 10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.363 -2.882 10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.784 -1.578 11.253 1.00 0.00 H new ATOM 636 N GLN A 45 0.105 -3.906 7.613 1.00 0.00 N ATOM 637 CA GLN A 45 -0.343 -5.123 6.958 1.00 0.00 C ATOM 638 C GLN A 45 0.467 -5.368 5.683 1.00 0.00 C ATOM 639 O GLN A 45 1.155 -6.380 5.566 1.00 0.00 O ATOM 640 CB GLN A 45 -1.841 -5.062 6.652 1.00 0.00 C ATOM 641 CG GLN A 45 -2.666 -5.496 7.866 1.00 0.00 C ATOM 642 CD GLN A 45 -4.101 -5.839 7.459 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.377 -6.872 6.872 1.00 0.00 O ATOM 644 NE2 GLN A 45 -4.996 -4.917 7.802 1.00 0.00 N ATOM 0 H GLN A 45 -0.645 -3.310 7.963 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.178 -5.960 7.637 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.116 -4.047 6.365 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.069 -5.707 5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.200 -6.362 8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.676 -4.698 8.608 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.697 -4.074 8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.981 -5.053 7.574 1.00 0.00 H new ATOM 653 N VAL A 46 0.357 -4.424 4.760 1.00 0.00 N ATOM 654 CA VAL A 46 1.070 -4.525 3.498 1.00 0.00 C ATOM 655 C VAL A 46 2.532 -4.886 3.771 1.00 0.00 C ATOM 656 O VAL A 46 2.953 -6.014 3.521 1.00 0.00 O ATOM 657 CB VAL A 46 0.914 -3.227 2.703 1.00 0.00 C ATOM 658 CG1 VAL A 46 1.839 -3.216 1.484 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.543 -3.011 2.288 1.00 0.00 C ATOM 0 H VAL A 46 -0.215 -3.586 4.861 1.00 0.00 H new ATOM 0 HA VAL A 46 0.647 -5.320 2.883 1.00 0.00 H new ATOM 0 HB VAL A 46 1.204 -2.400 3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.708 -2.283 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.875 -3.302 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.594 -4.056 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.627 -2.082 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.871 -3.844 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.170 -2.954 3.178 1.00 0.00 H new ATOM 669 N ILE A 47 3.265 -3.907 4.280 1.00 0.00 N ATOM 670 CA ILE A 47 4.670 -4.108 4.590 1.00 0.00 C ATOM 671 C ILE A 47 4.858 -5.491 5.215 1.00 0.00 C ATOM 672 O ILE A 47 5.750 -6.240 4.818 1.00 0.00 O ATOM 673 CB ILE A 47 5.196 -2.964 5.459 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.161 -1.636 4.699 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.593 -3.280 5.996 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.169 -0.450 5.665 1.00 0.00 C ATOM 0 H ILE A 47 2.912 -2.972 4.486 1.00 0.00 H new ATOM 0 HA ILE A 47 5.267 -4.086 3.679 1.00 0.00 H new ATOM 0 HB ILE A 47 4.536 -2.859 6.320 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.021 -1.572 4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.269 -1.594 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.943 -2.450 6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.554 -4.187 6.599 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.279 -3.428 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.144 0.481 5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.295 -0.504 6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.074 -0.481 6.272 1.00 0.00 H new ATOM 688 N ASN A 48 4.003 -5.789 6.182 1.00 0.00 N ATOM 689 CA ASN A 48 4.064 -7.070 6.866 1.00 0.00 C ATOM 690 C ASN A 48 3.995 -8.198 5.834 1.00 0.00 C ATOM 691 O ASN A 48 4.812 -9.117 5.860 1.00 0.00 O ATOM 692 CB ASN A 48 2.886 -7.237 7.828 1.00 0.00 C ATOM 693 CG ASN A 48 3.320 -6.993 9.275 1.00 0.00 C ATOM 694 OD1 ASN A 48 3.595 -7.910 10.031 1.00 0.00 O ATOM 695 ND2 ASN A 48 3.367 -5.708 9.616 1.00 0.00 N ATOM 0 H ASN A 48 3.264 -5.166 6.508 1.00 0.00 H new ATOM 0 HA ASN A 48 4.997 -7.108 7.428 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.092 -6.540 7.560 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.474 -8.242 7.733 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.646 -5.441 10.560 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.124 -4.990 8.934 1.00 0.00 H new ATOM 702 N ASN A 49 3.013 -8.090 4.952 1.00 0.00 N ATOM 703 CA ASN A 49 2.827 -9.090 3.913 1.00 0.00 C ATOM 704 C ASN A 49 4.098 -9.181 3.066 1.00 0.00 C ATOM 705 O ASN A 49 4.708 -10.244 2.969 1.00 0.00 O ATOM 706 CB ASN A 49 1.668 -8.714 2.988 1.00 0.00 C ATOM 707 CG ASN A 49 0.320 -8.976 3.663 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.095 -10.107 3.860 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.337 -7.872 4.006 1.00 0.00 N ATOM 0 H ASN A 49 2.338 -7.326 4.935 1.00 0.00 H new ATOM 0 HA ASN A 49 2.608 -10.042 4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.743 -7.662 2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.734 -9.289 2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.246 -7.941 4.463 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.068 -6.956 3.812 1.00 0.00 H new ATOM 716 N ILE A 50 4.459 -8.052 2.474 1.00 0.00 N ATOM 717 CA ILE A 50 5.646 -7.991 1.638 1.00 0.00 C ATOM 718 C ILE A 50 6.819 -8.635 2.379 1.00 0.00 C ATOM 719 O ILE A 50 7.675 -9.269 1.762 1.00 0.00 O ATOM 720 CB ILE A 50 5.915 -6.552 1.194 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.771 -6.024 0.325 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.268 -6.440 0.490 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.861 -4.505 0.165 1.00 0.00 C ATOM 0 H ILE A 50 3.950 -7.172 2.557 1.00 0.00 H new ATOM 0 HA ILE A 50 5.496 -8.560 0.721 1.00 0.00 H new ATOM 0 HB ILE A 50 5.961 -5.923 2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.805 -6.499 -0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.815 -6.290 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.435 -5.407 0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.060 -6.749 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.275 -7.084 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.037 -4.155 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.802 -4.032 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.808 -4.244 -0.308 1.00 0.00 H new ATOM 735 N LEU A 51 6.822 -8.452 3.691 1.00 0.00 N ATOM 736 CA LEU A 51 7.876 -9.007 4.522 1.00 0.00 C ATOM 737 C LEU A 51 7.626 -10.503 4.724 1.00 0.00 C ATOM 738 O LEU A 51 8.562 -11.301 4.701 1.00 0.00 O ATOM 739 CB LEU A 51 7.998 -8.222 5.830 1.00 0.00 C ATOM 740 CG LEU A 51 9.108 -7.170 5.880 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.034 -6.356 7.174 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.482 -7.813 5.685 1.00 0.00 C ATOM 0 H LEU A 51 6.111 -7.927 4.199 1.00 0.00 H new ATOM 0 HA LEU A 51 8.842 -8.908 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.046 -7.727 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.160 -8.931 6.642 1.00 0.00 H new ATOM 0 HG LEU A 51 8.958 -6.475 5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.834 -5.616 7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.070 -5.850 7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.145 -7.022 8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.253 -7.043 5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.657 -8.543 6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.516 -8.311 4.716 1.00 0.00 H new ATOM 754 N GLU A 52 6.359 -10.837 4.918 1.00 0.00 N ATOM 755 CA GLU A 52 5.974 -12.223 5.124 1.00 0.00 C ATOM 756 C GLU A 52 5.630 -12.883 3.787 1.00 0.00 C ATOM 757 O GLU A 52 4.934 -13.897 3.751 1.00 0.00 O ATOM 758 CB GLU A 52 4.803 -12.327 6.103 1.00 0.00 C ATOM 759 CG GLU A 52 5.188 -11.778 7.478 1.00 0.00 C ATOM 760 CD GLU A 52 5.158 -12.881 8.538 1.00 0.00 C ATOM 761 OE1 GLU A 52 5.742 -13.951 8.260 1.00 0.00 O ATOM 762 OE2 GLU A 52 4.553 -12.629 9.602 1.00 0.00 O ATOM 0 H GLU A 52 5.586 -10.172 4.937 1.00 0.00 H new ATOM 0 HA GLU A 52 6.820 -12.753 5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.948 -11.774 5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.494 -13.368 6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.185 -11.340 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.502 -10.979 7.760 1.00 0.00 H new ATOM 769 N GLU A 53 6.133 -12.281 2.719 1.00 0.00 N ATOM 770 CA GLU A 53 5.888 -12.797 1.383 1.00 0.00 C ATOM 771 C GLU A 53 4.449 -13.304 1.266 1.00 0.00 C ATOM 772 O GLU A 53 4.197 -14.325 0.628 1.00 0.00 O ATOM 773 CB GLU A 53 6.889 -13.899 1.030 1.00 0.00 C ATOM 774 CG GLU A 53 8.220 -13.304 0.568 1.00 0.00 C ATOM 775 CD GLU A 53 9.354 -14.322 0.706 1.00 0.00 C ATOM 776 OE1 GLU A 53 9.713 -14.616 1.866 1.00 0.00 O ATOM 777 OE2 GLU A 53 9.835 -14.783 -0.351 1.00 0.00 O ATOM 0 H GLU A 53 6.709 -11.440 2.752 1.00 0.00 H new ATOM 0 HA GLU A 53 6.025 -11.985 0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.054 -14.537 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.477 -14.531 0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.138 -12.984 -0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.450 -12.416 1.158 1.00 0.00 H new ATOM 784 N ARG A 54 3.543 -12.567 1.891 1.00 0.00 N ATOM 785 CA ARG A 54 2.136 -12.929 1.865 1.00 0.00 C ATOM 786 C ARG A 54 1.378 -12.040 0.877 1.00 0.00 C ATOM 787 O ARG A 54 0.150 -11.977 0.910 1.00 0.00 O ATOM 788 CB ARG A 54 1.506 -12.791 3.252 1.00 0.00 C ATOM 789 CG ARG A 54 2.132 -13.777 4.240 1.00 0.00 C ATOM 790 CD ARG A 54 1.087 -14.308 5.222 1.00 0.00 C ATOM 791 NE ARG A 54 0.054 -15.079 4.495 1.00 0.00 N ATOM 792 CZ ARG A 54 -1.095 -15.498 5.042 1.00 0.00 C ATOM 793 NH1 ARG A 54 -1.365 -15.223 6.326 1.00 0.00 N ATOM 794 NH2 ARG A 54 -1.974 -16.192 4.306 1.00 0.00 N ATOM 0 H ARG A 54 3.756 -11.720 2.419 1.00 0.00 H new ATOM 0 HA ARG A 54 2.067 -13.970 1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.639 -11.772 3.616 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.432 -12.968 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.580 -14.608 3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.936 -13.286 4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.566 -14.941 5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.624 -13.479 5.757 1.00 0.00 H new ATOM 0 HE ARG A 54 0.228 -15.306 3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.696 -14.695 6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.240 -15.542 6.743 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.768 -16.401 3.329 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.849 -16.511 4.723 1.00 0.00 H new ATOM 808 N LEU A 55 2.141 -11.376 0.022 1.00 0.00 N ATOM 809 CA LEU A 55 1.556 -10.493 -0.974 1.00 0.00 C ATOM 810 C LEU A 55 0.465 -11.246 -1.738 1.00 0.00 C ATOM 811 O LEU A 55 0.736 -12.266 -2.370 1.00 0.00 O ATOM 812 CB LEU A 55 2.645 -9.906 -1.875 1.00 0.00 C ATOM 813 CG LEU A 55 3.355 -8.660 -1.343 1.00 0.00 C ATOM 814 CD1 LEU A 55 4.446 -8.196 -2.311 1.00 0.00 C ATOM 815 CD2 LEU A 55 2.352 -7.547 -1.033 1.00 0.00 C ATOM 0 H LEU A 55 3.159 -11.431 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 55 1.078 -9.639 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.394 -10.677 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.199 -9.662 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 55 3.846 -8.920 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.935 -7.309 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.182 -8.990 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.999 -7.958 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.883 -6.673 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.812 -7.280 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.645 -7.894 -0.280 1.00 0.00 H new ATOM 827 N ALA A 56 -0.745 -10.713 -1.655 1.00 0.00 N ATOM 828 CA ALA A 56 -1.878 -11.322 -2.331 1.00 0.00 C ATOM 829 C ALA A 56 -1.471 -11.707 -3.755 1.00 0.00 C ATOM 830 O ALA A 56 -0.536 -11.135 -4.313 1.00 0.00 O ATOM 831 CB ALA A 56 -3.066 -10.358 -2.306 1.00 0.00 C ATOM 0 H ALA A 56 -0.966 -9.867 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.186 -12.233 -1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.916 -10.815 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.335 -10.139 -1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.795 -9.433 -2.814 1.00 0.00 H new ATOM 837 N PRO A 57 -2.211 -12.701 -4.316 1.00 0.00 N ATOM 838 CA PRO A 57 -1.936 -13.169 -5.663 1.00 0.00 C ATOM 839 C PRO A 57 -2.432 -12.164 -6.705 1.00 0.00 C ATOM 840 O PRO A 57 -2.104 -12.275 -7.885 1.00 0.00 O ATOM 841 CB PRO A 57 -2.632 -14.517 -5.761 1.00 0.00 C ATOM 842 CG PRO A 57 -3.652 -14.542 -4.634 1.00 0.00 C ATOM 843 CD PRO A 57 -3.326 -13.401 -3.684 1.00 0.00 C ATOM 0 HA PRO A 57 -0.869 -13.270 -5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.117 -14.637 -6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.917 -15.334 -5.659 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.661 -14.432 -5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.618 -15.497 -4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.183 -12.741 -3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.052 -13.773 -2.697 1.00 0.00 H new ATOM 851 N THR A 58 -3.214 -11.205 -6.231 1.00 0.00 N ATOM 852 CA THR A 58 -3.758 -10.181 -7.106 1.00 0.00 C ATOM 853 C THR A 58 -2.877 -8.930 -7.075 1.00 0.00 C ATOM 854 O THR A 58 -2.834 -8.173 -8.043 1.00 0.00 O ATOM 855 CB THR A 58 -5.204 -9.917 -6.683 1.00 0.00 C ATOM 856 OG1 THR A 58 -5.928 -11.027 -7.208 1.00 0.00 O ATOM 857 CG2 THR A 58 -5.811 -8.707 -7.396 1.00 0.00 C ATOM 0 H THR A 58 -3.484 -11.116 -5.251 1.00 0.00 H new ATOM 0 HA THR A 58 -3.764 -10.510 -8.145 1.00 0.00 H new ATOM 0 HB THR A 58 -5.244 -9.761 -5.605 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.876 -10.937 -6.978 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.838 -8.564 -7.060 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.226 -7.817 -7.164 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.802 -8.877 -8.473 1.00 0.00 H new ATOM 865 N LEU A 59 -2.197 -8.752 -5.952 1.00 0.00 N ATOM 866 CA LEU A 59 -1.321 -7.606 -5.782 1.00 0.00 C ATOM 867 C LEU A 59 0.096 -7.984 -6.219 1.00 0.00 C ATOM 868 O LEU A 59 0.783 -7.191 -6.862 1.00 0.00 O ATOM 869 CB LEU A 59 -1.401 -7.078 -4.348 1.00 0.00 C ATOM 870 CG LEU A 59 -2.809 -6.924 -3.768 1.00 0.00 C ATOM 871 CD1 LEU A 59 -2.754 -6.467 -2.309 1.00 0.00 C ATOM 872 CD2 LEU A 59 -3.657 -5.988 -4.631 1.00 0.00 C ATOM 0 H LEU A 59 -2.235 -9.382 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.643 -6.782 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.835 -7.749 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.906 -6.108 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.293 -7.901 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.768 -6.365 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.211 -7.204 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.244 -5.506 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.653 -5.896 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.187 -5.006 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.737 -6.395 -5.639 1.00 0.00 H new ATOM 884 N SER A 60 0.491 -9.195 -5.853 1.00 0.00 N ATOM 885 CA SER A 60 1.813 -9.687 -6.200 1.00 0.00 C ATOM 886 C SER A 60 1.984 -9.702 -7.720 1.00 0.00 C ATOM 887 O SER A 60 3.096 -9.551 -8.225 1.00 0.00 O ATOM 888 CB SER A 60 2.049 -11.085 -5.625 1.00 0.00 C ATOM 889 OG SER A 60 3.430 -11.435 -5.621 1.00 0.00 O ATOM 0 H SER A 60 -0.081 -9.850 -5.320 1.00 0.00 H new ATOM 0 HA SER A 60 2.553 -9.015 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.661 -11.128 -4.607 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.491 -11.816 -6.210 1.00 0.00 H new ATOM 0 HG SER A 60 3.539 -12.334 -5.245 1.00 0.00 H new ATOM 895 N GLN A 61 0.866 -9.886 -8.408 1.00 0.00 N ATOM 896 CA GLN A 61 0.879 -9.923 -9.860 1.00 0.00 C ATOM 897 C GLN A 61 0.907 -8.502 -10.427 1.00 0.00 C ATOM 898 O GLN A 61 1.515 -8.257 -11.468 1.00 0.00 O ATOM 899 CB GLN A 61 -0.322 -10.703 -10.399 1.00 0.00 C ATOM 900 CG GLN A 61 -1.637 -10.098 -9.903 1.00 0.00 C ATOM 901 CD GLN A 61 -2.825 -10.642 -10.699 1.00 0.00 C ATOM 902 OE1 GLN A 61 -3.328 -10.016 -11.618 1.00 0.00 O ATOM 903 NE2 GLN A 61 -3.243 -11.839 -10.297 1.00 0.00 N ATOM 0 H GLN A 61 -0.054 -10.011 -7.986 1.00 0.00 H new ATOM 0 HA GLN A 61 1.782 -10.441 -10.182 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.304 -10.698 -11.489 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.255 -11.744 -10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.769 -10.324 -8.845 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.600 -9.013 -9.995 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.776 -12.308 -9.521 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.030 -12.288 -10.765 1.00 0.00 H new ATOM 912 N LEU A 62 0.243 -7.602 -9.717 1.00 0.00 N ATOM 913 CA LEU A 62 0.185 -6.212 -10.136 1.00 0.00 C ATOM 914 C LEU A 62 1.601 -5.712 -10.429 1.00 0.00 C ATOM 915 O LEU A 62 2.580 -6.349 -10.042 1.00 0.00 O ATOM 916 CB LEU A 62 -0.562 -5.370 -9.100 1.00 0.00 C ATOM 917 CG LEU A 62 -2.085 -5.336 -9.235 1.00 0.00 C ATOM 918 CD1 LEU A 62 -2.733 -4.717 -7.995 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.505 -4.617 -10.519 1.00 0.00 C ATOM 0 H LEU A 62 -0.260 -7.808 -8.854 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.385 -6.117 -11.060 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.313 -5.746 -8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.189 -4.347 -9.155 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.444 -6.363 -9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.816 -4.705 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.474 -5.307 -7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.371 -3.697 -7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.593 -4.607 -10.591 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.133 -3.593 -10.501 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.089 -5.139 -11.381 1.00 0.00 H new ATOM 931 N ASP A 63 1.665 -4.578 -11.110 1.00 0.00 N ATOM 932 CA ASP A 63 2.945 -3.986 -11.459 1.00 0.00 C ATOM 933 C ASP A 63 3.610 -3.437 -10.195 1.00 0.00 C ATOM 934 O ASP A 63 3.099 -2.506 -9.575 1.00 0.00 O ATOM 935 CB ASP A 63 2.766 -2.826 -12.441 1.00 0.00 C ATOM 936 CG ASP A 63 3.676 -2.873 -13.670 1.00 0.00 C ATOM 937 OD1 ASP A 63 4.891 -3.088 -13.469 1.00 0.00 O ATOM 938 OD2 ASP A 63 3.136 -2.692 -14.783 1.00 0.00 O ATOM 0 H ASP A 63 0.851 -4.053 -11.430 1.00 0.00 H new ATOM 0 HA ASP A 63 3.559 -4.759 -11.922 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.729 -2.810 -12.776 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.944 -1.890 -11.911 1.00 0.00 H new ATOM 943 N ARG A 64 4.740 -4.037 -9.852 1.00 0.00 N ATOM 944 CA ARG A 64 5.480 -3.620 -8.673 1.00 0.00 C ATOM 945 C ARG A 64 5.820 -2.131 -8.759 1.00 0.00 C ATOM 946 O ARG A 64 6.091 -1.493 -7.743 1.00 0.00 O ATOM 947 CB ARG A 64 6.774 -4.424 -8.522 1.00 0.00 C ATOM 948 CG ARG A 64 6.476 -5.876 -8.142 1.00 0.00 C ATOM 949 CD ARG A 64 7.476 -6.387 -7.103 1.00 0.00 C ATOM 950 NE ARG A 64 7.576 -7.862 -7.180 1.00 0.00 N ATOM 951 CZ ARG A 64 6.675 -8.704 -6.657 1.00 0.00 C ATOM 952 NH1 ARG A 64 5.601 -8.223 -6.017 1.00 0.00 N ATOM 953 NH2 ARG A 64 6.848 -10.028 -6.775 1.00 0.00 N ATOM 0 H ARG A 64 5.161 -4.808 -10.370 1.00 0.00 H new ATOM 0 HA ARG A 64 4.849 -3.802 -7.803 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.335 -4.397 -9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.404 -3.966 -7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.464 -5.951 -7.745 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.517 -6.504 -9.032 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.454 -5.938 -7.276 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.160 -6.087 -6.104 1.00 0.00 H new ATOM 0 HE ARG A 64 8.381 -8.262 -7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.469 -7.215 -5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.915 -8.864 -5.619 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.666 -10.394 -7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.162 -10.669 -6.377 1.00 0.00 H new ATOM 967 N ASN A 65 5.796 -1.621 -9.981 1.00 0.00 N ATOM 968 CA ASN A 65 6.098 -0.219 -10.213 1.00 0.00 C ATOM 969 C ASN A 65 4.842 0.492 -10.721 1.00 0.00 C ATOM 970 O ASN A 65 4.935 1.500 -11.421 1.00 0.00 O ATOM 971 CB ASN A 65 7.192 -0.059 -11.271 1.00 0.00 C ATOM 972 CG ASN A 65 8.558 0.162 -10.618 1.00 0.00 C ATOM 973 OD1 ASN A 65 9.192 1.192 -10.778 1.00 0.00 O ATOM 974 ND2 ASN A 65 8.974 -0.859 -9.875 1.00 0.00 N ATOM 0 H ASN A 65 5.572 -2.154 -10.821 1.00 0.00 H new ATOM 0 HA ASN A 65 6.440 0.212 -9.272 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.226 -0.947 -11.902 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.955 0.784 -11.920 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.874 -0.809 -9.397 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.394 -1.693 -9.783 1.00 0.00 H new ATOM 981 N LEU A 66 3.697 -0.060 -10.348 1.00 0.00 N ATOM 982 CA LEU A 66 2.424 0.509 -10.757 1.00 0.00 C ATOM 983 C LEU A 66 2.361 1.974 -10.322 1.00 0.00 C ATOM 984 O LEU A 66 2.805 2.320 -9.228 1.00 0.00 O ATOM 985 CB LEU A 66 1.264 -0.339 -10.231 1.00 0.00 C ATOM 986 CG LEU A 66 -0.129 0.044 -10.733 1.00 0.00 C ATOM 987 CD1 LEU A 66 -0.585 -0.893 -11.853 1.00 0.00 C ATOM 988 CD2 LEU A 66 -1.134 0.090 -9.580 1.00 0.00 C ATOM 0 H LEU A 66 3.624 -0.895 -9.767 1.00 0.00 H new ATOM 0 HA LEU A 66 2.332 0.495 -11.843 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.451 -1.379 -10.497 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.264 -0.283 -9.142 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.076 1.048 -11.154 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.578 -0.599 -12.192 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.115 -0.832 -12.686 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.617 -1.917 -11.480 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.116 0.365 -9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.191 -0.891 -9.107 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.812 0.829 -8.846 1.00 0.00 H new ATOM 1000 N ASP A 67 1.807 2.796 -11.200 1.00 0.00 N ATOM 1001 CA ASP A 67 1.680 4.216 -10.920 1.00 0.00 C ATOM 1002 C ASP A 67 0.248 4.519 -10.477 1.00 0.00 C ATOM 1003 O ASP A 67 -0.635 3.670 -10.595 1.00 0.00 O ATOM 1004 CB ASP A 67 1.976 5.052 -12.167 1.00 0.00 C ATOM 1005 CG ASP A 67 1.799 6.561 -11.991 1.00 0.00 C ATOM 1006 OD1 ASP A 67 2.532 7.125 -11.150 1.00 0.00 O ATOM 1007 OD2 ASP A 67 0.934 7.118 -12.702 1.00 0.00 O ATOM 0 H ASP A 67 1.441 2.506 -12.107 1.00 0.00 H new ATOM 0 HA ASP A 67 2.395 4.470 -10.137 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.001 4.856 -12.483 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.324 4.717 -12.974 1.00 0.00 H new