USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 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 29 TYR OH : rot 55:sc= 0.751 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -4.23! C(o=-3.5!,f=-7.2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.399 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -3 K(o=-3,f=-3.6!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.73! C(o=-2.7!,f=-3.9!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 30:sc= -5! USER MOD Single : A 42 MET CE :methyl -153:sc= 0 (180deg=-0.0279) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 91:sc= 1.36 USER MOD Single : A 48 ASN : amide:sc= -3.63! C(o=-3.6!,f=-5.3!) USER MOD Single : A 49 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.46) USER MOD Single : A 50 SER OG : rot -142:sc= 1.29 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= -0.0418 (180deg=-0.352) USER MOD Single : A 62 ASN : amide:sc= -4.2! C(o=-4.2!,f=-5.2!) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.329 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0439 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 163:sc= -0.0238 (180deg=-0.243) USER MOD Single : A 85 CYS SG : rot -140:sc= -0.505 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.247 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 8 -2.849 12.454 -9.659 1.00 0.00 N ATOM 152 CA GLU A 8 -2.290 11.205 -9.155 1.00 0.00 C ATOM 153 C GLU A 8 -0.772 11.300 -9.030 1.00 0.00 C ATOM 154 O GLU A 8 -0.061 10.308 -9.197 1.00 0.00 O ATOM 155 CB GLU A 8 -2.664 10.044 -10.078 1.00 0.00 C ATOM 156 CG GLU A 8 -4.138 10.010 -10.446 1.00 0.00 C ATOM 157 CD GLU A 8 -4.593 8.639 -10.909 1.00 0.00 C ATOM 158 OE1 GLU A 8 -4.682 7.727 -10.061 1.00 0.00 O ATOM 159 OE2 GLU A 8 -4.859 8.479 -12.118 1.00 0.00 O ATOM 0 HA GLU A 8 -2.709 11.023 -8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.072 10.111 -10.991 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.397 9.105 -9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.731 10.313 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.328 10.737 -11.235 1.00 0.00 H new ATOM 166 N ILE A 9 -0.282 12.500 -8.736 1.00 0.00 N ATOM 167 CA ILE A 9 1.150 12.725 -8.588 1.00 0.00 C ATOM 168 C ILE A 9 1.678 12.083 -7.310 1.00 0.00 C ATOM 169 O ILE A 9 2.578 11.245 -7.350 1.00 0.00 O ATOM 170 CB ILE A 9 1.486 14.228 -8.571 1.00 0.00 C ATOM 171 CG1 ILE A 9 0.905 14.917 -9.808 1.00 0.00 C ATOM 172 CG2 ILE A 9 2.991 14.434 -8.501 1.00 0.00 C ATOM 173 CD1 ILE A 9 1.011 16.425 -9.766 1.00 0.00 C ATOM 0 H ILE A 9 -0.856 13.331 -8.596 1.00 0.00 H new ATOM 0 HA ILE A 9 1.632 12.264 -9.450 1.00 0.00 H new ATOM 0 HB ILE A 9 1.037 14.675 -7.684 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.421 14.549 -10.695 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.144 14.637 -9.911 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.212 15.501 -8.490 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.379 13.973 -7.593 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.462 13.975 -9.370 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.580 16.846 -10.674 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.470 16.804 -8.899 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.060 16.714 -9.695 1.00 0.00 H new ATOM 185 N GLY A 10 1.110 12.481 -6.176 1.00 0.00 N ATOM 186 CA GLY A 10 1.536 11.934 -4.901 1.00 0.00 C ATOM 187 C GLY A 10 0.896 10.592 -4.604 1.00 0.00 C ATOM 188 O GLY A 10 0.959 10.101 -3.477 1.00 0.00 O ATOM 0 H GLY A 10 0.362 13.172 -6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.620 11.824 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.286 12.636 -4.106 1.00 0.00 H new ATOM 192 N LYS A 11 0.277 9.996 -5.618 1.00 0.00 N ATOM 193 CA LYS A 11 -0.378 8.703 -5.462 1.00 0.00 C ATOM 194 C LYS A 11 0.562 7.567 -5.852 1.00 0.00 C ATOM 195 O LYS A 11 1.456 7.744 -6.681 1.00 0.00 O ATOM 196 CB LYS A 11 -1.648 8.645 -6.314 1.00 0.00 C ATOM 197 CG LYS A 11 -2.560 7.481 -5.967 1.00 0.00 C ATOM 198 CD LYS A 11 -3.901 7.594 -6.672 1.00 0.00 C ATOM 199 CE LYS A 11 -4.826 8.566 -5.957 1.00 0.00 C ATOM 200 NZ LYS A 11 -5.493 7.936 -4.783 1.00 0.00 N ATOM 0 H LYS A 11 0.215 10.389 -6.557 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.647 8.584 -4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.200 9.577 -6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.368 8.575 -7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.078 6.544 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.716 7.449 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.747 7.925 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.371 6.612 -6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.256 9.435 -5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.582 8.927 -6.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.115 8.631 -4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.058 7.122 -5.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.772 7.614 -4.106 1.00 0.00 H new ATOM 214 N LEU A 12 0.353 6.400 -5.253 1.00 0.00 N ATOM 215 CA LEU A 12 1.181 5.233 -5.540 1.00 0.00 C ATOM 216 C LEU A 12 0.330 3.970 -5.625 1.00 0.00 C ATOM 217 O LEU A 12 -0.265 3.541 -4.636 1.00 0.00 O ATOM 218 CB LEU A 12 2.254 5.068 -4.462 1.00 0.00 C ATOM 219 CG LEU A 12 3.402 4.116 -4.799 1.00 0.00 C ATOM 220 CD1 LEU A 12 4.219 4.655 -5.963 1.00 0.00 C ATOM 221 CD2 LEU A 12 4.287 3.895 -3.581 1.00 0.00 C ATOM 0 H LEU A 12 -0.383 6.236 -4.566 1.00 0.00 H new ATOM 0 HA LEU A 12 1.665 5.388 -6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.675 6.049 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.773 4.716 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 12 2.977 3.156 -5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.031 3.964 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.579 4.760 -6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.633 5.628 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.099 3.215 -3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.703 4.849 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.695 3.463 -2.774 1.00 0.00 H new ATOM 233 N PHE A 13 0.279 3.377 -6.813 1.00 0.00 N ATOM 234 CA PHE A 13 -0.498 2.161 -7.028 1.00 0.00 C ATOM 235 C PHE A 13 0.378 0.922 -6.870 1.00 0.00 C ATOM 236 O PHE A 13 1.318 0.710 -7.636 1.00 0.00 O ATOM 237 CB PHE A 13 -1.134 2.176 -8.419 1.00 0.00 C ATOM 238 CG PHE A 13 -1.580 0.821 -8.889 1.00 0.00 C ATOM 239 CD1 PHE A 13 -0.690 -0.038 -9.512 1.00 0.00 C ATOM 240 CD2 PHE A 13 -2.890 0.407 -8.707 1.00 0.00 C ATOM 241 CE1 PHE A 13 -1.099 -1.285 -9.946 1.00 0.00 C ATOM 242 CE2 PHE A 13 -3.304 -0.839 -9.138 1.00 0.00 C ATOM 243 CZ PHE A 13 -2.407 -1.687 -9.758 1.00 0.00 C ATOM 0 H PHE A 13 0.766 3.718 -7.642 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.287 2.125 -6.276 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.991 2.849 -8.410 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.417 2.582 -9.133 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.335 0.270 -9.660 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.596 1.066 -8.223 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.396 -1.945 -10.432 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.328 -1.149 -8.990 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.728 -2.662 -10.095 1.00 0.00 H new ATOM 253 N VAL A 14 0.062 0.105 -5.870 1.00 0.00 N ATOM 254 CA VAL A 14 0.819 -1.114 -5.611 1.00 0.00 C ATOM 255 C VAL A 14 0.261 -2.288 -6.409 1.00 0.00 C ATOM 256 O VAL A 14 -0.952 -2.426 -6.564 1.00 0.00 O ATOM 257 CB VAL A 14 0.807 -1.475 -4.114 1.00 0.00 C ATOM 258 CG1 VAL A 14 1.785 -2.604 -3.828 1.00 0.00 C ATOM 259 CG2 VAL A 14 1.131 -0.251 -3.269 1.00 0.00 C ATOM 0 H VAL A 14 -0.713 0.265 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 14 1.845 -0.921 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.193 -1.818 -3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.762 -2.845 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.503 -3.484 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.792 -2.293 -4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.118 -0.524 -2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.119 0.124 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.388 0.525 -3.452 1.00 0.00 H new ATOM 269 N GLY A 15 1.156 -3.132 -6.914 1.00 0.00 N ATOM 270 CA GLY A 15 0.733 -4.283 -7.690 1.00 0.00 C ATOM 271 C GLY A 15 1.475 -5.547 -7.302 1.00 0.00 C ATOM 272 O GLY A 15 2.630 -5.739 -7.681 1.00 0.00 O ATOM 0 H GLY A 15 2.165 -3.039 -6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.337 -4.437 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.893 -4.082 -8.749 1.00 0.00 H new ATOM 276 N GLY A 16 0.810 -6.413 -6.542 1.00 0.00 N ATOM 277 CA GLY A 16 1.430 -7.653 -6.114 1.00 0.00 C ATOM 278 C GLY A 16 1.209 -7.933 -4.641 1.00 0.00 C ATOM 279 O GLY A 16 2.023 -8.599 -3.999 1.00 0.00 O ATOM 0 H GLY A 16 -0.147 -6.277 -6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.028 -8.478 -6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.500 -7.609 -6.316 1.00 0.00 H new ATOM 283 N LEU A 17 0.107 -7.423 -4.102 1.00 0.00 N ATOM 284 CA LEU A 17 -0.218 -7.621 -2.694 1.00 0.00 C ATOM 285 C LEU A 17 -0.883 -8.975 -2.473 1.00 0.00 C ATOM 286 O LEU A 17 -0.992 -9.782 -3.397 1.00 0.00 O ATOM 287 CB LEU A 17 -1.137 -6.502 -2.201 1.00 0.00 C ATOM 288 CG LEU A 17 -0.573 -5.083 -2.284 1.00 0.00 C ATOM 289 CD1 LEU A 17 -1.688 -4.057 -2.160 1.00 0.00 C ATOM 290 CD2 LEU A 17 0.478 -4.864 -1.205 1.00 0.00 C ATOM 0 H LEU A 17 -0.576 -6.869 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 17 0.712 -7.597 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.061 -6.538 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.400 -6.706 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.099 -4.957 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.267 -3.053 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.405 -4.200 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.192 -4.181 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.869 -3.849 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.027 -5.009 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.292 -5.577 -1.340 1.00 0.00 H new ATOM 302 N ASP A 18 -1.326 -9.218 -1.245 1.00 0.00 N ATOM 303 CA ASP A 18 -1.983 -10.474 -0.903 1.00 0.00 C ATOM 304 C ASP A 18 -3.448 -10.241 -0.547 1.00 0.00 C ATOM 305 O ASP A 18 -3.871 -9.106 -0.328 1.00 0.00 O ATOM 306 CB ASP A 18 -1.263 -11.150 0.265 1.00 0.00 C ATOM 307 CG ASP A 18 -1.857 -12.503 0.606 1.00 0.00 C ATOM 308 OD1 ASP A 18 -2.121 -13.288 -0.329 1.00 0.00 O ATOM 309 OD2 ASP A 18 -2.057 -12.776 1.808 1.00 0.00 O ATOM 0 H ASP A 18 -1.242 -8.561 -0.469 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.938 -11.128 -1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.209 -11.271 0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.312 -10.504 1.141 1.00 0.00 H new ATOM 314 N TRP A 19 -4.217 -11.322 -0.493 1.00 0.00 N ATOM 315 CA TRP A 19 -5.636 -11.235 -0.164 1.00 0.00 C ATOM 316 C TRP A 19 -5.835 -10.984 1.326 1.00 0.00 C ATOM 317 O TRP A 19 -6.934 -10.643 1.766 1.00 0.00 O ATOM 318 CB TRP A 19 -6.356 -12.520 -0.578 1.00 0.00 C ATOM 319 CG TRP A 19 -5.742 -13.758 0.001 1.00 0.00 C ATOM 320 CD1 TRP A 19 -4.922 -14.643 -0.640 1.00 0.00 C ATOM 321 CD2 TRP A 19 -5.900 -14.249 1.336 1.00 0.00 C ATOM 322 NE1 TRP A 19 -4.561 -15.655 0.217 1.00 0.00 N ATOM 323 CE2 TRP A 19 -5.147 -15.436 1.435 1.00 0.00 C ATOM 324 CE3 TRP A 19 -6.602 -13.802 2.458 1.00 0.00 C ATOM 325 CZ2 TRP A 19 -5.080 -16.178 2.611 1.00 0.00 C ATOM 326 CZ3 TRP A 19 -6.534 -14.539 3.624 1.00 0.00 C ATOM 327 CH2 TRP A 19 -5.777 -15.716 3.694 1.00 0.00 C ATOM 0 H TRP A 19 -3.883 -12.269 -0.673 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.060 -10.395 -0.714 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -7.399 -12.460 -0.266 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.352 -12.596 -1.665 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -4.604 -14.560 -1.669 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -3.955 -16.442 -0.016 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -7.188 -12.896 2.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -4.498 -17.086 2.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -7.074 -14.202 4.497 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -5.743 -16.269 4.621 1.00 0.00 H new ATOM 338 N SER A 20 -4.767 -11.154 2.099 1.00 0.00 N ATOM 339 CA SER A 20 -4.827 -10.948 3.541 1.00 0.00 C ATOM 340 C SER A 20 -4.319 -9.558 3.913 1.00 0.00 C ATOM 341 O SER A 20 -4.825 -8.928 4.843 1.00 0.00 O ATOM 342 CB SER A 20 -4.002 -12.015 4.264 1.00 0.00 C ATOM 343 OG SER A 20 -3.973 -11.778 5.661 1.00 0.00 O ATOM 0 H SER A 20 -3.850 -11.434 1.751 1.00 0.00 H new ATOM 0 HA SER A 20 -5.868 -11.031 3.852 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.425 -13.000 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.985 -12.020 3.872 1.00 0.00 H new ATOM 0 HG SER A 20 -3.441 -12.474 6.100 1.00 0.00 H new ATOM 349 N THR A 21 -3.316 -9.086 3.181 1.00 0.00 N ATOM 350 CA THR A 21 -2.738 -7.772 3.433 1.00 0.00 C ATOM 351 C THR A 21 -3.819 -6.752 3.772 1.00 0.00 C ATOM 352 O THR A 21 -4.889 -6.740 3.164 1.00 0.00 O ATOM 353 CB THR A 21 -1.935 -7.268 2.219 1.00 0.00 C ATOM 354 OG1 THR A 21 -1.004 -8.271 1.797 1.00 0.00 O ATOM 355 CG2 THR A 21 -1.189 -5.987 2.557 1.00 0.00 C ATOM 0 H THR A 21 -2.886 -9.594 2.408 1.00 0.00 H new ATOM 0 HA THR A 21 -2.065 -7.881 4.284 1.00 0.00 H new ATOM 0 HB THR A 21 -2.635 -7.059 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.298 -7.856 1.258 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.629 -5.651 1.684 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.903 -5.217 2.849 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.499 -6.174 3.380 1.00 0.00 H new ATOM 363 N THR A 22 -3.532 -5.894 4.747 1.00 0.00 N ATOM 364 CA THR A 22 -4.480 -4.870 5.167 1.00 0.00 C ATOM 365 C THR A 22 -3.924 -3.472 4.920 1.00 0.00 C ATOM 366 O THR A 22 -2.721 -3.298 4.729 1.00 0.00 O ATOM 367 CB THR A 22 -4.837 -5.013 6.658 1.00 0.00 C ATOM 368 OG1 THR A 22 -3.647 -4.966 7.454 1.00 0.00 O ATOM 369 CG2 THR A 22 -5.574 -6.318 6.916 1.00 0.00 C ATOM 0 H THR A 22 -2.650 -5.889 5.260 1.00 0.00 H new ATOM 0 HA THR A 22 -5.382 -5.010 4.571 1.00 0.00 H new ATOM 0 HB THR A 22 -5.490 -4.185 6.933 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.883 -5.056 8.401 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.815 -6.396 7.976 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.494 -6.338 6.332 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.941 -7.157 6.625 1.00 0.00 H new ATOM 377 N GLN A 23 -4.807 -2.479 4.928 1.00 0.00 N ATOM 378 CA GLN A 23 -4.403 -1.096 4.705 1.00 0.00 C ATOM 379 C GLN A 23 -3.502 -0.604 5.833 1.00 0.00 C ATOM 380 O GLN A 23 -2.624 0.231 5.618 1.00 0.00 O ATOM 381 CB GLN A 23 -5.634 -0.195 4.590 1.00 0.00 C ATOM 382 CG GLN A 23 -6.191 -0.103 3.179 1.00 0.00 C ATOM 383 CD GLN A 23 -7.478 0.694 3.110 1.00 0.00 C ATOM 384 OE1 GLN A 23 -7.593 1.763 3.711 1.00 0.00 O ATOM 385 NE2 GLN A 23 -8.456 0.178 2.375 1.00 0.00 N ATOM 0 H GLN A 23 -5.807 -2.606 5.086 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.842 -1.054 3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.412 -0.570 5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.375 0.806 4.935 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.448 0.358 2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.370 -1.108 2.797 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.318 -0.711 1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.345 0.670 2.292 1.00 0.00 H new ATOM 394 N GLU A 24 -3.726 -1.127 7.034 1.00 0.00 N ATOM 395 CA GLU A 24 -2.934 -0.739 8.196 1.00 0.00 C ATOM 396 C GLU A 24 -1.449 -0.985 7.948 1.00 0.00 C ATOM 397 O GLU A 24 -0.650 -0.048 7.905 1.00 0.00 O ATOM 398 CB GLU A 24 -3.391 -1.513 9.434 1.00 0.00 C ATOM 399 CG GLU A 24 -4.525 -0.839 10.189 1.00 0.00 C ATOM 400 CD GLU A 24 -4.137 0.522 10.731 1.00 0.00 C ATOM 401 OE1 GLU A 24 -3.122 0.605 11.455 1.00 0.00 O ATOM 402 OE2 GLU A 24 -4.847 1.505 10.433 1.00 0.00 O ATOM 0 H GLU A 24 -4.449 -1.820 7.228 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.085 0.327 8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.710 -2.511 9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.543 -1.640 10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.384 -0.731 9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.838 -1.479 11.014 1.00 0.00 H new ATOM 409 N THR A 25 -1.084 -2.253 7.786 1.00 0.00 N ATOM 410 CA THR A 25 0.305 -2.624 7.545 1.00 0.00 C ATOM 411 C THR A 25 0.846 -1.943 6.293 1.00 0.00 C ATOM 412 O THR A 25 1.986 -1.476 6.272 1.00 0.00 O ATOM 413 CB THR A 25 0.461 -4.149 7.394 1.00 0.00 C ATOM 414 OG1 THR A 25 -0.026 -4.810 8.567 1.00 0.00 O ATOM 415 CG2 THR A 25 1.917 -4.524 7.162 1.00 0.00 C ATOM 0 H THR A 25 -1.731 -3.041 7.817 1.00 0.00 H new ATOM 0 HA THR A 25 0.876 -2.292 8.412 1.00 0.00 H new ATOM 0 HB THR A 25 -0.122 -4.468 6.530 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.075 -5.779 8.462 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.002 -5.606 7.058 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.276 -4.043 6.252 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.518 -4.192 8.009 1.00 0.00 H new ATOM 423 N LEU A 26 0.023 -1.889 5.252 1.00 0.00 N ATOM 424 CA LEU A 26 0.420 -1.263 3.995 1.00 0.00 C ATOM 425 C LEU A 26 0.831 0.189 4.216 1.00 0.00 C ATOM 426 O LEU A 26 1.830 0.652 3.665 1.00 0.00 O ATOM 427 CB LEU A 26 -0.726 -1.332 2.985 1.00 0.00 C ATOM 428 CG LEU A 26 -0.376 -0.953 1.545 1.00 0.00 C ATOM 429 CD1 LEU A 26 0.643 -1.924 0.970 1.00 0.00 C ATOM 430 CD2 LEU A 26 -1.629 -0.919 0.683 1.00 0.00 C ATOM 0 H LEU A 26 -0.923 -2.271 5.253 1.00 0.00 H new ATOM 0 HA LEU A 26 1.278 -1.808 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.124 -2.347 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.526 -0.676 3.328 1.00 0.00 H new ATOM 0 HG LEU A 26 0.065 0.044 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.880 -1.638 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.551 -1.898 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.230 -2.933 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.361 -0.648 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.099 -1.902 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.326 -0.183 1.083 1.00 0.00 H new ATOM 442 N ARG A 27 0.056 0.902 5.027 1.00 0.00 N ATOM 443 CA ARG A 27 0.341 2.301 5.322 1.00 0.00 C ATOM 444 C ARG A 27 1.740 2.459 5.911 1.00 0.00 C ATOM 445 O ARG A 27 2.566 3.204 5.383 1.00 0.00 O ATOM 446 CB ARG A 27 -0.699 2.861 6.293 1.00 0.00 C ATOM 447 CG ARG A 27 -2.061 3.095 5.659 1.00 0.00 C ATOM 448 CD ARG A 27 -3.165 3.119 6.704 1.00 0.00 C ATOM 449 NE ARG A 27 -3.022 4.241 7.627 1.00 0.00 N ATOM 450 CZ ARG A 27 -3.864 4.484 8.626 1.00 0.00 C ATOM 451 NH1 ARG A 27 -4.903 3.687 8.829 1.00 0.00 N ATOM 452 NH2 ARG A 27 -3.666 5.526 9.423 1.00 0.00 N ATOM 0 H ARG A 27 -0.774 0.534 5.491 1.00 0.00 H new ATOM 0 HA ARG A 27 0.294 2.860 4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.811 2.171 7.130 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.332 3.802 6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.053 4.039 5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.265 2.310 4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.133 3.180 6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.153 2.185 7.265 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.232 4.873 7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.058 2.885 8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.548 3.875 9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.867 6.141 9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.313 5.712 10.190 1.00 0.00 H new ATOM 466 N SER A 28 1.998 1.753 7.007 1.00 0.00 N ATOM 467 CA SER A 28 3.295 1.818 7.670 1.00 0.00 C ATOM 468 C SER A 28 4.420 1.474 6.699 1.00 0.00 C ATOM 469 O SER A 28 5.321 2.279 6.465 1.00 0.00 O ATOM 470 CB SER A 28 3.328 0.864 8.866 1.00 0.00 C ATOM 471 OG SER A 28 2.734 1.456 10.008 1.00 0.00 O ATOM 0 H SER A 28 1.326 1.129 7.455 1.00 0.00 H new ATOM 0 HA SER A 28 3.444 2.838 8.024 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.802 -0.057 8.615 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.359 0.591 9.089 1.00 0.00 H new ATOM 0 HG SER A 28 2.766 0.825 10.758 1.00 0.00 H new ATOM 477 N TYR A 29 4.360 0.272 6.136 1.00 0.00 N ATOM 478 CA TYR A 29 5.374 -0.182 5.192 1.00 0.00 C ATOM 479 C TYR A 29 5.775 0.943 4.242 1.00 0.00 C ATOM 480 O TYR A 29 6.951 1.107 3.918 1.00 0.00 O ATOM 481 CB TYR A 29 4.858 -1.380 4.393 1.00 0.00 C ATOM 482 CG TYR A 29 5.880 -1.958 3.441 1.00 0.00 C ATOM 483 CD1 TYR A 29 6.935 -2.731 3.909 1.00 0.00 C ATOM 484 CD2 TYR A 29 5.790 -1.733 2.073 1.00 0.00 C ATOM 485 CE1 TYR A 29 7.872 -3.261 3.043 1.00 0.00 C ATOM 486 CE2 TYR A 29 6.721 -2.260 1.199 1.00 0.00 C ATOM 487 CZ TYR A 29 7.760 -3.023 1.689 1.00 0.00 C ATOM 488 OH TYR A 29 8.690 -3.550 0.822 1.00 0.00 O ATOM 0 H TYR A 29 3.619 -0.406 6.317 1.00 0.00 H new ATOM 0 HA TYR A 29 6.254 -0.485 5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.539 -2.158 5.086 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.977 -1.076 3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.024 -2.921 4.968 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.978 -1.136 1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.687 -3.858 3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.636 -2.076 0.138 1.00 0.00 H new ATOM 0 HH TYR A 29 8.744 -4.520 0.950 1.00 0.00 H new ATOM 498 N PHE A 30 4.788 1.715 3.799 1.00 0.00 N ATOM 499 CA PHE A 30 5.036 2.824 2.886 1.00 0.00 C ATOM 500 C PHE A 30 5.295 4.115 3.657 1.00 0.00 C ATOM 501 O PHE A 30 5.904 5.050 3.136 1.00 0.00 O ATOM 502 CB PHE A 30 3.847 3.011 1.942 1.00 0.00 C ATOM 503 CG PHE A 30 3.915 2.146 0.715 1.00 0.00 C ATOM 504 CD1 PHE A 30 4.896 2.352 -0.241 1.00 0.00 C ATOM 505 CD2 PHE A 30 2.996 1.128 0.518 1.00 0.00 C ATOM 506 CE1 PHE A 30 4.961 1.558 -1.370 1.00 0.00 C ATOM 507 CE2 PHE A 30 3.056 0.331 -0.609 1.00 0.00 C ATOM 508 CZ PHE A 30 4.039 0.547 -1.555 1.00 0.00 C ATOM 0 H PHE A 30 3.809 1.593 4.058 1.00 0.00 H new ATOM 0 HA PHE A 30 5.923 2.587 2.299 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.926 2.790 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.796 4.056 1.638 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.619 3.143 -0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.224 0.956 1.254 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.732 1.728 -2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.335 -0.460 -0.750 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.086 -0.074 -2.438 1.00 0.00 H new ATOM 518 N SER A 31 4.829 4.159 4.901 1.00 0.00 N ATOM 519 CA SER A 31 5.006 5.336 5.743 1.00 0.00 C ATOM 520 C SER A 31 6.486 5.602 6.001 1.00 0.00 C ATOM 521 O SER A 31 6.928 6.751 6.008 1.00 0.00 O ATOM 522 CB SER A 31 4.269 5.155 7.071 1.00 0.00 C ATOM 523 OG SER A 31 4.351 6.326 7.864 1.00 0.00 O ATOM 0 H SER A 31 4.326 3.393 5.348 1.00 0.00 H new ATOM 0 HA SER A 31 4.587 6.194 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.223 4.914 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.696 4.313 7.615 1.00 0.00 H new ATOM 0 HG SER A 31 3.871 6.185 8.707 1.00 0.00 H new ATOM 529 N GLN A 32 7.245 4.532 6.212 1.00 0.00 N ATOM 530 CA GLN A 32 8.675 4.649 6.472 1.00 0.00 C ATOM 531 C GLN A 32 9.359 5.472 5.385 1.00 0.00 C ATOM 532 O GLN A 32 10.358 6.146 5.639 1.00 0.00 O ATOM 533 CB GLN A 32 9.314 3.263 6.558 1.00 0.00 C ATOM 534 CG GLN A 32 8.825 2.300 5.488 1.00 0.00 C ATOM 535 CD GLN A 32 9.862 1.254 5.126 1.00 0.00 C ATOM 536 OE1 GLN A 32 10.957 1.582 4.667 1.00 0.00 O ATOM 537 NE2 GLN A 32 9.522 -0.013 5.330 1.00 0.00 N ATOM 0 H GLN A 32 6.894 3.574 6.208 1.00 0.00 H new ATOM 0 HA GLN A 32 8.806 5.160 7.426 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.396 3.365 6.476 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.108 2.837 7.540 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.920 1.803 5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.555 2.863 4.594 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.604 -0.239 5.712 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.179 -0.760 5.104 1.00 0.00 H new ATOM 546 N TYR A 33 8.817 5.411 4.174 1.00 0.00 N ATOM 547 CA TYR A 33 9.377 6.147 3.048 1.00 0.00 C ATOM 548 C TYR A 33 8.810 7.562 2.985 1.00 0.00 C ATOM 549 O TYR A 33 9.553 8.538 2.894 1.00 0.00 O ATOM 550 CB TYR A 33 9.091 5.413 1.737 1.00 0.00 C ATOM 551 CG TYR A 33 9.698 4.029 1.673 1.00 0.00 C ATOM 552 CD1 TYR A 33 9.030 2.931 2.200 1.00 0.00 C ATOM 553 CD2 TYR A 33 10.940 3.821 1.087 1.00 0.00 C ATOM 554 CE1 TYR A 33 9.581 1.665 2.145 1.00 0.00 C ATOM 555 CE2 TYR A 33 11.498 2.559 1.026 1.00 0.00 C ATOM 556 CZ TYR A 33 10.815 1.484 1.556 1.00 0.00 C ATOM 557 OH TYR A 33 11.368 0.226 1.498 1.00 0.00 O ATOM 0 H TYR A 33 7.990 4.859 3.947 1.00 0.00 H new ATOM 0 HA TYR A 33 10.455 6.213 3.192 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.012 5.334 1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.473 6.007 0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.063 3.069 2.661 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.478 4.660 0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.049 0.822 2.561 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.464 2.415 0.566 1.00 0.00 H new ATOM 0 HH TYR A 33 12.239 0.272 1.051 1.00 0.00 H new ATOM 567 N GLY A 34 7.485 7.664 3.035 1.00 0.00 N ATOM 568 CA GLY A 34 6.838 8.962 2.984 1.00 0.00 C ATOM 569 C GLY A 34 5.586 9.020 3.837 1.00 0.00 C ATOM 570 O GLY A 34 4.891 8.018 3.998 1.00 0.00 O ATOM 0 H GLY A 34 6.848 6.871 3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.538 9.727 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.581 9.196 1.951 1.00 0.00 H new ATOM 574 N GLU A 35 5.300 10.197 4.385 1.00 0.00 N ATOM 575 CA GLU A 35 4.124 10.380 5.228 1.00 0.00 C ATOM 576 C GLU A 35 2.859 9.933 4.502 1.00 0.00 C ATOM 577 O GLU A 35 2.322 10.657 3.663 1.00 0.00 O ATOM 578 CB GLU A 35 3.993 11.845 5.648 1.00 0.00 C ATOM 579 CG GLU A 35 2.611 12.210 6.162 1.00 0.00 C ATOM 580 CD GLU A 35 2.643 13.347 7.165 1.00 0.00 C ATOM 581 OE1 GLU A 35 3.626 14.116 7.160 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.683 13.468 7.955 1.00 0.00 O ATOM 0 H GLU A 35 5.865 11.037 4.261 1.00 0.00 H new ATOM 0 HA GLU A 35 4.248 9.764 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.728 12.059 6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.234 12.481 4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.977 12.490 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.157 11.334 6.626 1.00 0.00 H new ATOM 589 N VAL A 36 2.388 8.733 4.830 1.00 0.00 N ATOM 590 CA VAL A 36 1.186 8.188 4.210 1.00 0.00 C ATOM 591 C VAL A 36 -0.049 8.988 4.610 1.00 0.00 C ATOM 592 O VAL A 36 -0.445 8.998 5.776 1.00 0.00 O ATOM 593 CB VAL A 36 0.976 6.712 4.596 1.00 0.00 C ATOM 594 CG1 VAL A 36 -0.331 6.190 4.018 1.00 0.00 C ATOM 595 CG2 VAL A 36 2.151 5.867 4.127 1.00 0.00 C ATOM 0 H VAL A 36 2.821 8.120 5.521 1.00 0.00 H new ATOM 0 HA VAL A 36 1.326 8.257 3.131 1.00 0.00 H new ATOM 0 HB VAL A 36 0.919 6.643 5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.463 5.146 4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.162 6.779 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.306 6.271 2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.986 4.827 4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.242 5.940 3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.068 6.228 4.593 1.00 0.00 H new ATOM 605 N VAL A 37 -0.656 9.657 3.634 1.00 0.00 N ATOM 606 CA VAL A 37 -1.848 10.458 3.884 1.00 0.00 C ATOM 607 C VAL A 37 -3.104 9.595 3.864 1.00 0.00 C ATOM 608 O VAL A 37 -3.978 9.733 4.720 1.00 0.00 O ATOM 609 CB VAL A 37 -1.995 11.584 2.843 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.916 12.677 3.364 1.00 0.00 C ATOM 611 CG2 VAL A 37 -0.632 12.154 2.479 1.00 0.00 C ATOM 0 H VAL A 37 -0.342 9.660 2.664 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.731 10.900 4.873 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.442 11.165 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.007 13.463 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.900 12.256 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.501 13.096 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.755 12.948 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.156 12.558 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.007 11.365 2.061 1.00 0.00 H new ATOM 621 N ASP A 38 -3.189 8.706 2.881 1.00 0.00 N ATOM 622 CA ASP A 38 -4.338 7.818 2.750 1.00 0.00 C ATOM 623 C ASP A 38 -3.953 6.535 2.020 1.00 0.00 C ATOM 624 O ASP A 38 -3.315 6.576 0.967 1.00 0.00 O ATOM 625 CB ASP A 38 -5.472 8.523 2.004 1.00 0.00 C ATOM 626 CG ASP A 38 -6.839 8.004 2.404 1.00 0.00 C ATOM 627 OD1 ASP A 38 -7.179 6.867 2.014 1.00 0.00 O ATOM 628 OD2 ASP A 38 -7.568 8.734 3.106 1.00 0.00 O ATOM 0 H ASP A 38 -2.476 8.581 2.163 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.680 7.556 3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.421 9.594 2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.335 8.389 0.931 1.00 0.00 H new ATOM 633 N CYS A 39 -4.344 5.399 2.585 1.00 0.00 N ATOM 634 CA CYS A 39 -4.039 4.103 1.989 1.00 0.00 C ATOM 635 C CYS A 39 -5.318 3.354 1.631 1.00 0.00 C ATOM 636 O CYS A 39 -6.254 3.286 2.427 1.00 0.00 O ATOM 637 CB CYS A 39 -3.194 3.263 2.948 1.00 0.00 C ATOM 638 SG CYS A 39 -2.754 1.630 2.309 1.00 0.00 S ATOM 0 H CYS A 39 -4.873 5.348 3.456 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.473 4.277 1.074 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.280 3.808 3.182 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.740 3.140 3.883 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.666 1.680 1.013 1.00 0.00 H new ATOM 644 N VAL A 40 -5.352 2.795 0.425 1.00 0.00 N ATOM 645 CA VAL A 40 -6.517 2.051 -0.040 1.00 0.00 C ATOM 646 C VAL A 40 -6.117 0.678 -0.568 1.00 0.00 C ATOM 647 O VAL A 40 -5.080 0.528 -1.213 1.00 0.00 O ATOM 648 CB VAL A 40 -7.267 2.816 -1.146 1.00 0.00 C ATOM 649 CG1 VAL A 40 -8.615 2.169 -1.424 1.00 0.00 C ATOM 650 CG2 VAL A 40 -7.437 4.278 -0.761 1.00 0.00 C ATOM 0 H VAL A 40 -4.586 2.843 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.178 1.929 0.818 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.675 2.771 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.130 2.724 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.464 1.139 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.218 2.180 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.969 4.804 -1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.007 4.346 0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.457 4.733 -0.618 1.00 0.00 H new ATOM 660 N ILE A 41 -6.948 -0.322 -0.290 1.00 0.00 N ATOM 661 CA ILE A 41 -6.682 -1.682 -0.739 1.00 0.00 C ATOM 662 C ILE A 41 -7.885 -2.265 -1.472 1.00 0.00 C ATOM 663 O ILE A 41 -8.855 -2.697 -0.850 1.00 0.00 O ATOM 664 CB ILE A 41 -6.319 -2.604 0.441 1.00 0.00 C ATOM 665 CG1 ILE A 41 -4.927 -2.261 0.975 1.00 0.00 C ATOM 666 CG2 ILE A 41 -6.384 -4.062 0.014 1.00 0.00 C ATOM 667 CD1 ILE A 41 -4.419 -3.239 2.010 1.00 0.00 C ATOM 0 H ILE A 41 -7.810 -0.215 0.244 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.834 -1.628 -1.422 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.043 -2.448 1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.225 -2.229 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.950 -1.262 1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.125 -4.700 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.393 -4.298 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.680 -4.234 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.427 -2.933 2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.100 -3.254 2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.363 -4.236 1.572 1.00 0.00 H new ATOM 679 N MET A 42 -7.815 -2.274 -2.799 1.00 0.00 N ATOM 680 CA MET A 42 -8.898 -2.806 -3.618 1.00 0.00 C ATOM 681 C MET A 42 -9.227 -4.241 -3.218 1.00 0.00 C ATOM 682 O MET A 42 -8.331 -5.058 -3.004 1.00 0.00 O ATOM 683 CB MET A 42 -8.520 -2.752 -5.100 1.00 0.00 C ATOM 684 CG MET A 42 -8.260 -1.343 -5.609 1.00 0.00 C ATOM 685 SD MET A 42 -9.762 -0.517 -6.168 1.00 0.00 S ATOM 686 CE MET A 42 -10.072 0.588 -4.793 1.00 0.00 C ATOM 0 H MET A 42 -7.020 -1.919 -3.330 1.00 0.00 H new ATOM 0 HA MET A 42 -9.781 -2.189 -3.453 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.629 -3.358 -5.262 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.321 -3.200 -5.688 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.800 -0.754 -4.816 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.545 -1.384 -6.431 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.139 0.802 -4.731 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.742 0.118 -3.867 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.524 1.518 -4.943 1.00 0.00 H new ATOM 696 N LYS A 43 -10.517 -4.542 -3.118 1.00 0.00 N ATOM 697 CA LYS A 43 -10.966 -5.878 -2.745 1.00 0.00 C ATOM 698 C LYS A 43 -11.962 -6.422 -3.764 1.00 0.00 C ATOM 699 O LYS A 43 -12.547 -5.666 -4.540 1.00 0.00 O ATOM 700 CB LYS A 43 -11.604 -5.854 -1.354 1.00 0.00 C ATOM 701 CG LYS A 43 -10.609 -6.061 -0.225 1.00 0.00 C ATOM 702 CD LYS A 43 -11.098 -5.437 1.071 1.00 0.00 C ATOM 703 CE LYS A 43 -9.947 -5.153 2.023 1.00 0.00 C ATOM 704 NZ LYS A 43 -10.412 -5.013 3.430 1.00 0.00 N ATOM 0 H LYS A 43 -11.271 -3.877 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.096 -6.535 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.109 -4.899 -1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.368 -6.629 -1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.443 -7.128 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.649 -5.625 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.628 -4.510 0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.812 -6.106 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.217 -5.960 1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.439 -4.239 1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.598 -4.820 4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.090 -4.227 3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.874 -5.894 3.732 1.00 0.00 H new ATOM 718 N ASP A 44 -12.152 -7.737 -3.755 1.00 0.00 N ATOM 719 CA ASP A 44 -13.080 -8.382 -4.676 1.00 0.00 C ATOM 720 C ASP A 44 -14.499 -7.858 -4.474 1.00 0.00 C ATOM 721 O ASP A 44 -14.820 -7.290 -3.430 1.00 0.00 O ATOM 722 CB ASP A 44 -13.051 -9.899 -4.484 1.00 0.00 C ATOM 723 CG ASP A 44 -13.869 -10.630 -5.531 1.00 0.00 C ATOM 724 OD1 ASP A 44 -13.603 -10.435 -6.735 1.00 0.00 O ATOM 725 OD2 ASP A 44 -14.777 -11.397 -5.145 1.00 0.00 O ATOM 0 H ASP A 44 -11.675 -8.377 -3.120 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.766 -8.146 -5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.019 -10.248 -4.524 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.432 -10.144 -3.493 1.00 0.00 H new ATOM 730 N LYS A 45 -15.344 -8.051 -5.481 1.00 0.00 N ATOM 731 CA LYS A 45 -16.729 -7.599 -5.415 1.00 0.00 C ATOM 732 C LYS A 45 -17.499 -8.359 -4.340 1.00 0.00 C ATOM 733 O LYS A 45 -18.091 -7.757 -3.443 1.00 0.00 O ATOM 734 CB LYS A 45 -17.412 -7.782 -6.772 1.00 0.00 C ATOM 735 CG LYS A 45 -18.918 -7.589 -6.727 1.00 0.00 C ATOM 736 CD LYS A 45 -19.292 -6.116 -6.758 1.00 0.00 C ATOM 737 CE LYS A 45 -19.344 -5.525 -5.357 1.00 0.00 C ATOM 738 NZ LYS A 45 -19.020 -4.072 -5.356 1.00 0.00 N ATOM 0 H LYS A 45 -15.094 -8.518 -6.353 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.727 -6.540 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.985 -7.074 -7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.193 -8.782 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.377 -8.100 -7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.318 -8.048 -5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.566 -5.568 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.262 -5.996 -7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -20.338 -5.676 -4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.641 -6.054 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.066 -3.707 -4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.062 -3.930 -5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.706 -3.563 -5.950 1.00 0.00 H new ATOM 752 N THR A 46 -17.486 -9.685 -4.434 1.00 0.00 N ATOM 753 CA THR A 46 -18.182 -10.526 -3.470 1.00 0.00 C ATOM 754 C THR A 46 -17.251 -10.956 -2.342 1.00 0.00 C ATOM 755 O THR A 46 -17.463 -10.606 -1.180 1.00 0.00 O ATOM 756 CB THR A 46 -18.770 -11.782 -4.141 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.589 -11.405 -5.253 1.00 0.00 O ATOM 758 CG2 THR A 46 -19.593 -12.590 -3.150 1.00 0.00 C ATOM 0 H THR A 46 -17.000 -10.199 -5.169 1.00 0.00 H new ATOM 0 HA THR A 46 -18.995 -9.928 -3.059 1.00 0.00 H new ATOM 0 HB THR A 46 -17.944 -12.400 -4.492 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.958 -12.209 -5.675 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.998 -13.472 -3.647 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.960 -12.900 -2.319 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.412 -11.978 -2.773 1.00 0.00 H new ATOM 766 N THR A 47 -16.218 -11.717 -2.690 1.00 0.00 N ATOM 767 CA THR A 47 -15.255 -12.195 -1.707 1.00 0.00 C ATOM 768 C THR A 47 -14.750 -11.053 -0.832 1.00 0.00 C ATOM 769 O THR A 47 -14.310 -11.271 0.296 1.00 0.00 O ATOM 770 CB THR A 47 -14.052 -12.878 -2.384 1.00 0.00 C ATOM 771 OG1 THR A 47 -14.470 -13.518 -3.595 1.00 0.00 O ATOM 772 CG2 THR A 47 -13.417 -13.902 -1.456 1.00 0.00 C ATOM 0 H THR A 47 -16.027 -12.015 -3.647 1.00 0.00 H new ATOM 0 HA THR A 47 -15.774 -12.924 -1.085 1.00 0.00 H new ATOM 0 HB THR A 47 -13.311 -12.113 -2.615 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.384 -12.891 -4.343 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.570 -14.371 -1.957 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.073 -13.406 -0.548 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.152 -14.664 -1.197 1.00 0.00 H new ATOM 780 N ASN A 48 -14.818 -9.835 -1.359 1.00 0.00 N ATOM 781 CA ASN A 48 -14.367 -8.658 -0.625 1.00 0.00 C ATOM 782 C ASN A 48 -12.952 -8.859 -0.091 1.00 0.00 C ATOM 783 O ASN A 48 -12.617 -8.392 0.997 1.00 0.00 O ATOM 784 CB ASN A 48 -15.322 -8.356 0.532 1.00 0.00 C ATOM 785 CG ASN A 48 -16.778 -8.506 0.134 1.00 0.00 C ATOM 786 OD1 ASN A 48 -17.159 -8.199 -0.996 1.00 0.00 O ATOM 787 ND2 ASN A 48 -17.599 -8.981 1.063 1.00 0.00 N ATOM 0 H ASN A 48 -15.181 -9.637 -2.291 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.360 -7.812 -1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.105 -9.026 1.363 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.148 -7.340 0.887 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.590 -9.105 0.853 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.239 -9.222 1.986 1.00 0.00 H new ATOM 794 N GLN A 49 -12.127 -9.555 -0.866 1.00 0.00 N ATOM 795 CA GLN A 49 -10.748 -9.817 -0.471 1.00 0.00 C ATOM 796 C GLN A 49 -9.772 -9.065 -1.369 1.00 0.00 C ATOM 797 O GLN A 49 -10.007 -8.913 -2.568 1.00 0.00 O ATOM 798 CB GLN A 49 -10.456 -11.318 -0.525 1.00 0.00 C ATOM 799 CG GLN A 49 -11.017 -12.090 0.659 1.00 0.00 C ATOM 800 CD GLN A 49 -10.632 -11.476 1.991 1.00 0.00 C ATOM 801 OE1 GLN A 49 -9.454 -11.250 2.266 1.00 0.00 O ATOM 802 NE2 GLN A 49 -11.628 -11.203 2.826 1.00 0.00 N ATOM 0 H GLN A 49 -12.389 -9.947 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.617 -9.465 0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.872 -11.728 -1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.377 -11.469 -0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.104 -12.128 0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.658 -13.119 0.620 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.590 -11.407 2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.431 -10.789 3.737 1.00 0.00 H new ATOM 811 N SER A 50 -8.676 -8.595 -0.781 1.00 0.00 N ATOM 812 CA SER A 50 -7.666 -7.854 -1.528 1.00 0.00 C ATOM 813 C SER A 50 -7.254 -8.614 -2.785 1.00 0.00 C ATOM 814 O SER A 50 -6.569 -9.634 -2.711 1.00 0.00 O ATOM 815 CB SER A 50 -6.440 -7.595 -0.650 1.00 0.00 C ATOM 816 OG SER A 50 -5.314 -7.246 -1.436 1.00 0.00 O ATOM 0 H SER A 50 -8.465 -8.714 0.210 1.00 0.00 H new ATOM 0 HA SER A 50 -8.098 -6.899 -1.827 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.657 -6.793 0.056 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.215 -8.485 -0.062 1.00 0.00 H new ATOM 0 HG SER A 50 -4.509 -7.654 -1.054 1.00 0.00 H new ATOM 822 N ARG A 51 -7.676 -8.108 -3.939 1.00 0.00 N ATOM 823 CA ARG A 51 -7.352 -8.739 -5.214 1.00 0.00 C ATOM 824 C ARG A 51 -5.842 -8.860 -5.392 1.00 0.00 C ATOM 825 O ARG A 51 -5.356 -9.778 -6.052 1.00 0.00 O ATOM 826 CB ARG A 51 -7.950 -7.936 -6.370 1.00 0.00 C ATOM 827 CG ARG A 51 -9.426 -8.212 -6.605 1.00 0.00 C ATOM 828 CD ARG A 51 -10.134 -7.000 -7.190 1.00 0.00 C ATOM 829 NE ARG A 51 -10.098 -6.997 -8.650 1.00 0.00 N ATOM 830 CZ ARG A 51 -10.845 -6.196 -9.401 1.00 0.00 C ATOM 831 NH1 ARG A 51 -11.681 -5.337 -8.834 1.00 0.00 N ATOM 832 NH2 ARG A 51 -10.756 -6.252 -10.724 1.00 0.00 N ATOM 0 H ARG A 51 -8.243 -7.264 -4.018 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.782 -9.741 -5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.815 -6.873 -6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.397 -8.162 -7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.535 -9.060 -7.281 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.899 -8.492 -5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.171 -6.988 -6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.666 -6.090 -6.814 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.465 -7.645 -9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.752 -5.290 -7.818 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.253 -4.723 -9.414 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.114 -6.911 -11.165 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.330 -5.637 -11.300 1.00 0.00 H new ATOM 846 N GLY A 52 -5.104 -7.926 -4.800 1.00 0.00 N ATOM 847 CA GLY A 52 -3.656 -7.947 -4.906 1.00 0.00 C ATOM 848 C GLY A 52 -3.091 -6.620 -5.373 1.00 0.00 C ATOM 849 O GLY A 52 -2.069 -6.580 -6.058 1.00 0.00 O ATOM 0 H GLY A 52 -5.482 -7.155 -4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.227 -8.200 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.357 -8.731 -5.602 1.00 0.00 H new ATOM 853 N PHE A 53 -3.757 -5.531 -5.003 1.00 0.00 N ATOM 854 CA PHE A 53 -3.316 -4.197 -5.391 1.00 0.00 C ATOM 855 C PHE A 53 -4.134 -3.125 -4.677 1.00 0.00 C ATOM 856 O PHE A 53 -5.269 -3.364 -4.269 1.00 0.00 O ATOM 857 CB PHE A 53 -3.431 -4.018 -6.906 1.00 0.00 C ATOM 858 CG PHE A 53 -4.834 -4.166 -7.421 1.00 0.00 C ATOM 859 CD1 PHE A 53 -5.357 -5.419 -7.698 1.00 0.00 C ATOM 860 CD2 PHE A 53 -5.631 -3.051 -7.629 1.00 0.00 C ATOM 861 CE1 PHE A 53 -6.647 -5.557 -8.173 1.00 0.00 C ATOM 862 CE2 PHE A 53 -6.922 -3.183 -8.104 1.00 0.00 C ATOM 863 CZ PHE A 53 -7.431 -4.438 -8.375 1.00 0.00 C ATOM 0 H PHE A 53 -4.604 -5.547 -4.435 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.272 -4.088 -5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.055 -3.032 -7.177 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.792 -4.750 -7.400 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.749 -6.298 -7.541 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.238 -2.067 -7.417 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.042 -6.539 -8.386 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.532 -2.306 -8.263 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.440 -4.544 -8.744 1.00 0.00 H new ATOM 873 N GLY A 54 -3.547 -1.940 -4.530 1.00 0.00 N ATOM 874 CA GLY A 54 -4.235 -0.849 -3.865 1.00 0.00 C ATOM 875 C GLY A 54 -3.677 0.507 -4.248 1.00 0.00 C ATOM 876 O GLY A 54 -3.358 0.749 -5.413 1.00 0.00 O ATOM 0 H GLY A 54 -2.608 -1.717 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.295 -0.886 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.157 -0.979 -2.786 1.00 0.00 H new ATOM 880 N PHE A 55 -3.560 1.396 -3.267 1.00 0.00 N ATOM 881 CA PHE A 55 -3.039 2.736 -3.508 1.00 0.00 C ATOM 882 C PHE A 55 -2.467 3.336 -2.226 1.00 0.00 C ATOM 883 O PHE A 55 -2.786 2.891 -1.123 1.00 0.00 O ATOM 884 CB PHE A 55 -4.140 3.643 -4.061 1.00 0.00 C ATOM 885 CG PHE A 55 -4.775 3.118 -5.317 1.00 0.00 C ATOM 886 CD1 PHE A 55 -5.837 2.231 -5.254 1.00 0.00 C ATOM 887 CD2 PHE A 55 -4.309 3.511 -6.561 1.00 0.00 C ATOM 888 CE1 PHE A 55 -6.422 1.745 -6.408 1.00 0.00 C ATOM 889 CE2 PHE A 55 -4.890 3.029 -7.719 1.00 0.00 C ATOM 890 CZ PHE A 55 -5.949 2.146 -7.642 1.00 0.00 C ATOM 0 H PHE A 55 -3.819 1.212 -2.298 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.237 2.660 -4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.910 3.771 -3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.721 4.629 -4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.212 1.915 -4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.482 4.202 -6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.248 1.052 -6.345 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.516 3.343 -8.683 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.406 1.770 -8.545 1.00 0.00 H new ATOM 900 N VAL A 56 -1.620 4.348 -2.380 1.00 0.00 N ATOM 901 CA VAL A 56 -1.003 5.010 -1.237 1.00 0.00 C ATOM 902 C VAL A 56 -0.723 6.478 -1.536 1.00 0.00 C ATOM 903 O VAL A 56 0.000 6.804 -2.477 1.00 0.00 O ATOM 904 CB VAL A 56 0.313 4.320 -0.832 1.00 0.00 C ATOM 905 CG1 VAL A 56 0.971 5.060 0.323 1.00 0.00 C ATOM 906 CG2 VAL A 56 0.061 2.864 -0.469 1.00 0.00 C ATOM 0 H VAL A 56 -1.345 4.728 -3.286 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.711 4.940 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 56 0.994 4.346 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.899 4.558 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.188 6.085 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.298 5.068 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.002 2.392 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.637 2.813 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.362 2.343 -1.328 1.00 0.00 H new ATOM 916 N LYS A 57 -1.301 7.361 -0.730 1.00 0.00 N ATOM 917 CA LYS A 57 -1.114 8.797 -0.906 1.00 0.00 C ATOM 918 C LYS A 57 0.026 9.308 -0.030 1.00 0.00 C ATOM 919 O LYS A 57 0.241 8.814 1.077 1.00 0.00 O ATOM 920 CB LYS A 57 -2.405 9.546 -0.570 1.00 0.00 C ATOM 921 CG LYS A 57 -2.534 10.883 -1.278 1.00 0.00 C ATOM 922 CD LYS A 57 -3.833 11.583 -0.915 1.00 0.00 C ATOM 923 CE LYS A 57 -3.908 12.973 -1.528 1.00 0.00 C ATOM 924 NZ LYS A 57 -4.512 12.946 -2.889 1.00 0.00 N ATOM 0 H LYS A 57 -1.904 7.108 0.053 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.857 8.979 -1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.257 8.920 -0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.451 9.709 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.690 11.519 -1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.491 10.730 -2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.678 10.986 -1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.917 11.657 0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.497 13.624 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.907 13.400 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.546 13.912 -3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.936 12.345 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.477 12.562 -2.833 1.00 0.00 H new ATOM 938 N PHE A 58 0.753 10.300 -0.533 1.00 0.00 N ATOM 939 CA PHE A 58 1.870 10.879 0.204 1.00 0.00 C ATOM 940 C PHE A 58 1.720 12.393 0.320 1.00 0.00 C ATOM 941 O PHE A 58 1.529 13.088 -0.678 1.00 0.00 O ATOM 942 CB PHE A 58 3.194 10.538 -0.483 1.00 0.00 C ATOM 943 CG PHE A 58 3.635 9.119 -0.264 1.00 0.00 C ATOM 944 CD1 PHE A 58 4.319 8.762 0.887 1.00 0.00 C ATOM 945 CD2 PHE A 58 3.365 8.141 -1.208 1.00 0.00 C ATOM 946 CE1 PHE A 58 4.727 7.458 1.091 1.00 0.00 C ATOM 947 CE2 PHE A 58 3.770 6.835 -1.009 1.00 0.00 C ATOM 948 CZ PHE A 58 4.451 6.492 0.142 1.00 0.00 C ATOM 0 H PHE A 58 0.589 10.720 -1.448 1.00 0.00 H new ATOM 0 HA PHE A 58 1.869 10.454 1.208 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.096 10.718 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.969 11.211 -0.116 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.536 9.512 1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.832 8.403 -2.110 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.261 7.194 1.992 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.554 6.083 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.767 5.472 0.300 1.00 0.00 H new ATOM 958 N LYS A 59 1.808 12.898 1.546 1.00 0.00 N ATOM 959 CA LYS A 59 1.682 14.329 1.795 1.00 0.00 C ATOM 960 C LYS A 59 2.420 15.134 0.729 1.00 0.00 C ATOM 961 O LYS A 59 2.028 16.253 0.400 1.00 0.00 O ATOM 962 CB LYS A 59 2.230 14.677 3.181 1.00 0.00 C ATOM 963 CG LYS A 59 1.732 16.008 3.716 1.00 0.00 C ATOM 964 CD LYS A 59 1.740 16.037 5.235 1.00 0.00 C ATOM 965 CE LYS A 59 1.795 17.462 5.764 1.00 0.00 C ATOM 966 NZ LYS A 59 3.110 18.106 5.489 1.00 0.00 N ATOM 0 H LYS A 59 1.966 12.337 2.383 1.00 0.00 H new ATOM 0 HA LYS A 59 0.624 14.587 1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.954 13.888 3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.319 14.697 3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.359 16.813 3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.721 16.192 3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.847 15.541 5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.598 15.476 5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.000 18.050 5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.610 17.458 6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.258 18.892 6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.870 17.406 5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.121 18.470 4.515 1.00 0.00 H new ATOM 980 N ASP A 60 3.489 14.555 0.192 1.00 0.00 N ATOM 981 CA ASP A 60 4.280 15.217 -0.838 1.00 0.00 C ATOM 982 C ASP A 60 4.425 14.326 -2.068 1.00 0.00 C ATOM 983 O ASP A 60 4.595 13.111 -1.968 1.00 0.00 O ATOM 984 CB ASP A 60 5.661 15.585 -0.294 1.00 0.00 C ATOM 985 CG ASP A 60 6.246 16.806 -0.976 1.00 0.00 C ATOM 986 OD1 ASP A 60 5.768 17.927 -0.699 1.00 0.00 O ATOM 987 OD2 ASP A 60 7.182 16.642 -1.785 1.00 0.00 O ATOM 0 H ASP A 60 3.827 13.629 0.453 1.00 0.00 H new ATOM 0 HA ASP A 60 3.759 16.129 -1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.588 15.771 0.778 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.337 14.740 -0.426 1.00 0.00 H new ATOM 992 N PRO A 61 4.356 14.943 -3.257 1.00 0.00 N ATOM 993 CA PRO A 61 4.476 14.225 -4.530 1.00 0.00 C ATOM 994 C PRO A 61 5.890 13.706 -4.771 1.00 0.00 C ATOM 995 O PRO A 61 6.146 13.008 -5.751 1.00 0.00 O ATOM 996 CB PRO A 61 4.111 15.285 -5.571 1.00 0.00 C ATOM 997 CG PRO A 61 4.429 16.585 -4.917 1.00 0.00 C ATOM 998 CD PRO A 61 4.155 16.389 -3.452 1.00 0.00 C ATOM 0 HA PRO A 61 3.839 13.341 -4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.685 15.153 -6.488 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.057 15.226 -5.843 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.469 16.863 -5.086 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.815 17.388 -5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.835 16.976 -2.834 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.142 16.693 -3.189 1.00 0.00 H new ATOM 1006 N ASN A 62 6.804 14.052 -3.870 1.00 0.00 N ATOM 1007 CA ASN A 62 8.192 13.620 -3.985 1.00 0.00 C ATOM 1008 C ASN A 62 8.384 12.235 -3.376 1.00 0.00 C ATOM 1009 O ASN A 62 9.268 11.482 -3.787 1.00 0.00 O ATOM 1010 CB ASN A 62 9.119 14.625 -3.298 1.00 0.00 C ATOM 1011 CG ASN A 62 8.806 16.058 -3.683 1.00 0.00 C ATOM 1012 OD1 ASN A 62 8.067 16.309 -4.636 1.00 0.00 O ATOM 1013 ND2 ASN A 62 9.368 17.006 -2.942 1.00 0.00 N ATOM 0 H ASN A 62 6.608 14.630 -3.053 1.00 0.00 H new ATOM 0 HA ASN A 62 8.444 13.569 -5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.032 14.515 -2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.153 14.399 -3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.194 17.989 -3.153 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.974 16.751 -2.162 1.00 0.00 H new ATOM 1020 N CYS A 63 7.552 11.906 -2.394 1.00 0.00 N ATOM 1021 CA CYS A 63 7.629 10.612 -1.727 1.00 0.00 C ATOM 1022 C CYS A 63 7.502 9.473 -2.734 1.00 0.00 C ATOM 1023 O CYS A 63 8.228 8.481 -2.660 1.00 0.00 O ATOM 1024 CB CYS A 63 6.534 10.495 -0.666 1.00 0.00 C ATOM 1025 SG CYS A 63 6.635 11.743 0.639 1.00 0.00 S ATOM 0 H CYS A 63 6.816 12.518 -2.042 1.00 0.00 H new ATOM 0 HA CYS A 63 8.603 10.538 -1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.562 10.571 -1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.587 9.505 -0.212 1.00 0.00 H new ATOM 0 HG CYS A 63 5.666 11.563 1.487 1.00 0.00 H new ATOM 1031 N VAL A 64 6.574 9.622 -3.674 1.00 0.00 N ATOM 1032 CA VAL A 64 6.350 8.606 -4.695 1.00 0.00 C ATOM 1033 C VAL A 64 7.665 8.169 -5.333 1.00 0.00 C ATOM 1034 O VAL A 64 7.972 6.980 -5.394 1.00 0.00 O ATOM 1035 CB VAL A 64 5.403 9.116 -5.797 1.00 0.00 C ATOM 1036 CG1 VAL A 64 5.189 8.046 -6.856 1.00 0.00 C ATOM 1037 CG2 VAL A 64 4.076 9.556 -5.196 1.00 0.00 C ATOM 0 H VAL A 64 5.965 10.437 -3.749 1.00 0.00 H new ATOM 0 HA VAL A 64 5.889 7.753 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 64 5.864 9.980 -6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.517 8.425 -7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.146 7.784 -7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.750 7.161 -6.395 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.418 9.914 -5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.608 8.712 -4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.250 10.358 -4.479 1.00 0.00 H new ATOM 1047 N GLY A 65 8.438 9.142 -5.807 1.00 0.00 N ATOM 1048 CA GLY A 65 9.711 8.838 -6.434 1.00 0.00 C ATOM 1049 C GLY A 65 10.619 8.021 -5.537 1.00 0.00 C ATOM 1050 O GLY A 65 11.065 6.936 -5.913 1.00 0.00 O ATOM 0 H GLY A 65 8.205 10.134 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.535 8.292 -7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.212 9.768 -6.702 1.00 0.00 H new ATOM 1054 N THR A 66 10.896 8.542 -4.345 1.00 0.00 N ATOM 1055 CA THR A 66 11.759 7.856 -3.393 1.00 0.00 C ATOM 1056 C THR A 66 11.483 6.356 -3.382 1.00 0.00 C ATOM 1057 O THR A 66 12.409 5.545 -3.376 1.00 0.00 O ATOM 1058 CB THR A 66 11.575 8.410 -1.967 1.00 0.00 C ATOM 1059 OG1 THR A 66 12.168 9.709 -1.866 1.00 0.00 O ATOM 1060 CG2 THR A 66 12.202 7.479 -0.940 1.00 0.00 C ATOM 0 H THR A 66 10.534 9.437 -4.017 1.00 0.00 H new ATOM 0 HA THR A 66 12.786 8.032 -3.714 1.00 0.00 H new ATOM 0 HB THR A 66 10.507 8.482 -1.764 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.045 10.055 -0.957 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.060 7.891 0.059 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.728 6.499 -1.000 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.268 7.379 -1.143 1.00 0.00 H new ATOM 1068 N VAL A 67 10.204 5.995 -3.382 1.00 0.00 N ATOM 1069 CA VAL A 67 9.807 4.592 -3.375 1.00 0.00 C ATOM 1070 C VAL A 67 10.047 3.945 -4.734 1.00 0.00 C ATOM 1071 O VAL A 67 10.551 2.825 -4.821 1.00 0.00 O ATOM 1072 CB VAL A 67 8.322 4.431 -2.997 1.00 0.00 C ATOM 1073 CG1 VAL A 67 7.915 2.966 -3.041 1.00 0.00 C ATOM 1074 CG2 VAL A 67 8.055 5.026 -1.623 1.00 0.00 C ATOM 0 H VAL A 67 9.425 6.654 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 67 10.422 4.093 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 67 7.719 4.972 -3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.863 2.872 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.068 2.576 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.522 2.398 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.001 4.904 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.667 4.515 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.305 6.087 -1.631 1.00 0.00 H new ATOM 1084 N LEU A 68 9.683 4.658 -5.794 1.00 0.00 N ATOM 1085 CA LEU A 68 9.859 4.154 -7.152 1.00 0.00 C ATOM 1086 C LEU A 68 11.310 3.754 -7.400 1.00 0.00 C ATOM 1087 O LEU A 68 11.583 2.734 -8.033 1.00 0.00 O ATOM 1088 CB LEU A 68 9.429 5.213 -8.170 1.00 0.00 C ATOM 1089 CG LEU A 68 7.934 5.529 -8.218 1.00 0.00 C ATOM 1090 CD1 LEU A 68 7.668 6.712 -9.136 1.00 0.00 C ATOM 1091 CD2 LEU A 68 7.145 4.310 -8.674 1.00 0.00 C ATOM 0 H LEU A 68 9.264 5.587 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 68 9.232 3.270 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.968 6.135 -7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.743 4.884 -9.161 1.00 0.00 H new ATOM 0 HG LEU A 68 7.606 5.794 -7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.599 6.922 -9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.203 7.587 -8.766 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.012 6.476 -10.143 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.083 4.554 -8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.476 4.014 -9.669 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.310 3.488 -7.977 1.00 0.00 H new ATOM 1103 N ALA A 69 12.236 4.561 -6.895 1.00 0.00 N ATOM 1104 CA ALA A 69 13.659 4.289 -7.058 1.00 0.00 C ATOM 1105 C ALA A 69 14.080 3.068 -6.247 1.00 0.00 C ATOM 1106 O ALA A 69 15.083 2.423 -6.554 1.00 0.00 O ATOM 1107 CB ALA A 69 14.479 5.504 -6.652 1.00 0.00 C ATOM 0 H ALA A 69 12.027 5.409 -6.369 1.00 0.00 H new ATOM 0 HA ALA A 69 13.845 4.075 -8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.539 5.286 -6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.205 6.353 -7.278 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.281 5.744 -5.608 1.00 0.00 H new ATOM 1113 N SER A 70 13.309 2.757 -5.210 1.00 0.00 N ATOM 1114 CA SER A 70 13.605 1.616 -4.352 1.00 0.00 C ATOM 1115 C SER A 70 13.149 0.314 -5.002 1.00 0.00 C ATOM 1116 O SER A 70 13.613 -0.768 -4.643 1.00 0.00 O ATOM 1117 CB SER A 70 12.927 1.785 -2.991 1.00 0.00 C ATOM 1118 OG SER A 70 13.373 0.802 -2.073 1.00 0.00 O ATOM 0 H SER A 70 12.474 3.279 -4.944 1.00 0.00 H new ATOM 0 HA SER A 70 14.685 1.571 -4.209 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.140 2.779 -2.596 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.846 1.713 -3.109 1.00 0.00 H new ATOM 0 HG SER A 70 12.926 0.933 -1.211 1.00 0.00 H new ATOM 1124 N ARG A 71 12.236 0.427 -5.962 1.00 0.00 N ATOM 1125 CA ARG A 71 11.715 -0.740 -6.662 1.00 0.00 C ATOM 1126 C ARG A 71 12.848 -1.671 -7.085 1.00 0.00 C ATOM 1127 O ARG A 71 13.971 -1.242 -7.349 1.00 0.00 O ATOM 1128 CB ARG A 71 10.910 -0.308 -7.889 1.00 0.00 C ATOM 1129 CG ARG A 71 9.571 0.325 -7.548 1.00 0.00 C ATOM 1130 CD ARG A 71 8.803 0.713 -8.802 1.00 0.00 C ATOM 1131 NE ARG A 71 9.434 1.823 -9.509 1.00 0.00 N ATOM 1132 CZ ARG A 71 9.036 2.258 -10.699 1.00 0.00 C ATOM 1133 NH1 ARG A 71 8.012 1.679 -11.312 1.00 0.00 N ATOM 1134 NH2 ARG A 71 9.661 3.275 -11.279 1.00 0.00 N ATOM 0 H ARG A 71 11.842 1.315 -6.272 1.00 0.00 H new ATOM 0 HA ARG A 71 11.060 -1.280 -5.978 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.500 0.402 -8.469 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.740 -1.176 -8.525 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.977 -0.373 -6.958 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.732 1.209 -6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.735 -0.148 -9.467 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.783 0.988 -8.532 1.00 0.00 H new ATOM 0 HE ARG A 71 10.224 2.290 -9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.528 0.898 -10.869 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.708 2.015 -12.226 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.448 3.724 -10.811 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.354 3.608 -12.193 1.00 0.00 H new ATOM 1148 N PRO A 72 12.548 -2.977 -7.150 1.00 0.00 N ATOM 1149 CA PRO A 72 11.214 -3.499 -6.837 1.00 0.00 C ATOM 1150 C PRO A 72 10.886 -3.398 -5.352 1.00 0.00 C ATOM 1151 O PRO A 72 11.660 -2.842 -4.571 1.00 0.00 O ATOM 1152 CB PRO A 72 11.299 -4.966 -7.268 1.00 0.00 C ATOM 1153 CG PRO A 72 12.747 -5.304 -7.182 1.00 0.00 C ATOM 1154 CD PRO A 72 13.488 -4.043 -7.534 1.00 0.00 C ATOM 0 HA PRO A 72 10.427 -2.937 -7.340 1.00 0.00 H new ATOM 0 HB2 PRO A 72 10.704 -5.605 -6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.920 -5.103 -8.281 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.010 -5.644 -6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.001 -6.111 -7.869 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.429 -3.964 -6.989 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.730 -4.002 -8.596 1.00 0.00 H new ATOM 1162 N HIS A 73 9.735 -3.939 -4.967 1.00 0.00 N ATOM 1163 CA HIS A 73 9.304 -3.910 -3.573 1.00 0.00 C ATOM 1164 C HIS A 73 8.752 -5.267 -3.147 1.00 0.00 C ATOM 1165 O HIS A 73 8.326 -6.066 -3.982 1.00 0.00 O ATOM 1166 CB HIS A 73 8.245 -2.827 -3.367 1.00 0.00 C ATOM 1167 CG HIS A 73 8.820 -1.466 -3.122 1.00 0.00 C ATOM 1168 ND1 HIS A 73 8.924 -0.907 -1.866 1.00 0.00 N ATOM 1169 CD2 HIS A 73 9.326 -0.551 -3.982 1.00 0.00 C ATOM 1170 CE1 HIS A 73 9.467 0.293 -1.964 1.00 0.00 C ATOM 1171 NE2 HIS A 73 9.721 0.533 -3.237 1.00 0.00 N ATOM 0 H HIS A 73 9.084 -4.403 -5.600 1.00 0.00 H new ATOM 0 HA HIS A 73 10.172 -3.680 -2.955 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.602 -2.788 -4.246 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.614 -3.103 -2.522 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.404 -0.654 -5.054 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.669 0.964 -1.142 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.142 1.385 -3.607 1.00 0.00 H new ATOM 1180 N THR A 74 8.761 -5.521 -1.842 1.00 0.00 N ATOM 1181 CA THR A 74 8.263 -6.781 -1.305 1.00 0.00 C ATOM 1182 C THR A 74 7.701 -6.596 0.099 1.00 0.00 C ATOM 1183 O THR A 74 8.446 -6.363 1.052 1.00 0.00 O ATOM 1184 CB THR A 74 9.370 -7.852 -1.266 1.00 0.00 C ATOM 1185 OG1 THR A 74 9.964 -7.991 -2.562 1.00 0.00 O ATOM 1186 CG2 THR A 74 8.811 -9.192 -0.813 1.00 0.00 C ATOM 0 H THR A 74 9.108 -4.870 -1.137 1.00 0.00 H new ATOM 0 HA THR A 74 7.467 -7.116 -1.971 1.00 0.00 H new ATOM 0 HB THR A 74 10.129 -7.532 -0.552 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.667 -8.672 -2.528 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.611 -9.932 -0.793 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.386 -9.090 0.186 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.035 -9.515 -1.506 1.00 0.00 H new ATOM 1194 N LEU A 75 6.382 -6.702 0.222 1.00 0.00 N ATOM 1195 CA LEU A 75 5.719 -6.548 1.512 1.00 0.00 C ATOM 1196 C LEU A 75 4.853 -7.762 1.829 1.00 0.00 C ATOM 1197 O LEU A 75 4.005 -8.158 1.028 1.00 0.00 O ATOM 1198 CB LEU A 75 4.862 -5.280 1.519 1.00 0.00 C ATOM 1199 CG LEU A 75 3.810 -5.187 2.624 1.00 0.00 C ATOM 1200 CD1 LEU A 75 4.475 -5.016 3.981 1.00 0.00 C ATOM 1201 CD2 LEU A 75 2.849 -4.039 2.351 1.00 0.00 C ATOM 0 H LEU A 75 5.751 -6.894 -0.556 1.00 0.00 H new ATOM 0 HA LEU A 75 6.488 -6.464 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.524 -4.418 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.357 -5.202 0.556 1.00 0.00 H new ATOM 0 HG LEU A 75 3.240 -6.116 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.711 -4.952 4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.122 -5.871 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.070 -4.103 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.107 -3.988 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.404 -3.102 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.347 -4.204 1.398 1.00 0.00 H new ATOM 1213 N ASP A 76 5.070 -8.348 3.001 1.00 0.00 N ATOM 1214 CA ASP A 76 4.307 -9.517 3.425 1.00 0.00 C ATOM 1215 C ASP A 76 4.637 -10.726 2.555 1.00 0.00 C ATOM 1216 O ASP A 76 3.744 -11.365 1.999 1.00 0.00 O ATOM 1217 CB ASP A 76 2.808 -9.222 3.364 1.00 0.00 C ATOM 1218 CG ASP A 76 2.022 -10.004 4.398 1.00 0.00 C ATOM 1219 OD1 ASP A 76 2.566 -10.251 5.494 1.00 0.00 O ATOM 1220 OD2 ASP A 76 0.863 -10.371 4.111 1.00 0.00 O ATOM 0 H ASP A 76 5.768 -8.033 3.675 1.00 0.00 H new ATOM 0 HA ASP A 76 4.582 -9.747 4.454 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.644 -8.155 3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.433 -9.462 2.369 1.00 0.00 H new ATOM 1225 N GLY A 77 5.925 -11.034 2.441 1.00 0.00 N ATOM 1226 CA GLY A 77 6.350 -12.164 1.637 1.00 0.00 C ATOM 1227 C GLY A 77 5.714 -12.168 0.261 1.00 0.00 C ATOM 1228 O GLY A 77 5.446 -13.229 -0.304 1.00 0.00 O ATOM 0 H GLY A 77 6.682 -10.520 2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.435 -12.144 1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.096 -13.090 2.154 1.00 0.00 H new ATOM 1232 N ARG A 78 5.470 -10.979 -0.280 1.00 0.00 N ATOM 1233 CA ARG A 78 4.859 -10.849 -1.597 1.00 0.00 C ATOM 1234 C ARG A 78 5.656 -9.888 -2.474 1.00 0.00 C ATOM 1235 O ARG A 78 6.150 -8.865 -2.001 1.00 0.00 O ATOM 1236 CB ARG A 78 3.415 -10.360 -1.467 1.00 0.00 C ATOM 1237 CG ARG A 78 2.441 -11.444 -1.038 1.00 0.00 C ATOM 1238 CD ARG A 78 1.839 -12.159 -2.238 1.00 0.00 C ATOM 1239 NE ARG A 78 1.399 -13.511 -1.906 1.00 0.00 N ATOM 1240 CZ ARG A 78 1.116 -14.436 -2.817 1.00 0.00 C ATOM 1241 NH1 ARG A 78 1.227 -14.156 -4.108 1.00 0.00 N ATOM 1242 NH2 ARG A 78 0.722 -15.645 -2.436 1.00 0.00 N ATOM 0 H ARG A 78 5.686 -10.091 0.174 1.00 0.00 H new ATOM 0 HA ARG A 78 4.862 -11.831 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.380 -9.545 -0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.091 -9.951 -2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.955 -12.166 -0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.645 -11.003 -0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.993 -11.585 -2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.576 -12.204 -3.040 1.00 0.00 H new ATOM 0 HE ARG A 78 1.304 -13.759 -0.921 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.530 -13.228 -4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.009 -14.868 -4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.636 -15.864 -1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.505 -16.355 -3.136 1.00 0.00 H new ATOM 1256 N ASN A 79 5.777 -10.224 -3.754 1.00 0.00 N ATOM 1257 CA ASN A 79 6.515 -9.392 -4.697 1.00 0.00 C ATOM 1258 C ASN A 79 5.628 -8.281 -5.251 1.00 0.00 C ATOM 1259 O ASN A 79 5.048 -8.416 -6.329 1.00 0.00 O ATOM 1260 CB ASN A 79 7.061 -10.245 -5.844 1.00 0.00 C ATOM 1261 CG ASN A 79 8.088 -11.257 -5.374 1.00 0.00 C ATOM 1262 OD1 ASN A 79 7.849 -12.464 -5.411 1.00 0.00 O ATOM 1263 ND2 ASN A 79 9.239 -10.767 -4.928 1.00 0.00 N ATOM 0 H ASN A 79 5.373 -11.067 -4.162 1.00 0.00 H new ATOM 0 HA ASN A 79 7.349 -8.935 -4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.236 -10.767 -6.329 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.512 -9.595 -6.594 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.969 -11.399 -4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.393 -9.759 -4.916 1.00 0.00 H new ATOM 1270 N ILE A 80 5.529 -7.184 -4.509 1.00 0.00 N ATOM 1271 CA ILE A 80 4.715 -6.049 -4.927 1.00 0.00 C ATOM 1272 C ILE A 80 5.546 -5.033 -5.702 1.00 0.00 C ATOM 1273 O ILE A 80 6.776 -5.072 -5.676 1.00 0.00 O ATOM 1274 CB ILE A 80 4.063 -5.349 -3.720 1.00 0.00 C ATOM 1275 CG1 ILE A 80 5.106 -4.539 -2.947 1.00 0.00 C ATOM 1276 CG2 ILE A 80 3.398 -6.372 -2.810 1.00 0.00 C ATOM 1277 CD1 ILE A 80 4.504 -3.560 -1.964 1.00 0.00 C ATOM 0 H ILE A 80 6.003 -7.057 -3.615 1.00 0.00 H new ATOM 0 HA ILE A 80 3.932 -6.444 -5.574 1.00 0.00 H new ATOM 0 HB ILE A 80 3.298 -4.665 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.761 -5.225 -2.409 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.729 -3.993 -3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.942 -5.862 -1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.630 -6.909 -3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.146 -7.079 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.302 -3.021 -1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.871 -2.851 -2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.905 -4.101 -1.232 1.00 0.00 H new ATOM 1289 N ASP A 81 4.866 -4.123 -6.390 1.00 0.00 N ATOM 1290 CA ASP A 81 5.541 -3.092 -7.171 1.00 0.00 C ATOM 1291 C ASP A 81 4.671 -1.845 -7.292 1.00 0.00 C ATOM 1292 O ASP A 81 3.627 -1.847 -7.944 1.00 0.00 O ATOM 1293 CB ASP A 81 5.889 -3.623 -8.563 1.00 0.00 C ATOM 1294 CG ASP A 81 6.946 -2.785 -9.254 1.00 0.00 C ATOM 1295 OD1 ASP A 81 8.132 -2.898 -8.879 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.588 -2.018 -10.172 1.00 0.00 O ATOM 0 H ASP A 81 3.848 -4.078 -6.423 1.00 0.00 H new ATOM 0 HA ASP A 81 6.461 -2.822 -6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.242 -4.651 -8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.988 -3.644 -9.176 1.00 0.00 H new ATOM 1301 N PRO A 82 5.110 -0.753 -6.649 1.00 0.00 N ATOM 1302 CA PRO A 82 4.386 0.522 -6.668 1.00 0.00 C ATOM 1303 C PRO A 82 4.429 1.192 -8.037 1.00 0.00 C ATOM 1304 O PRO A 82 5.325 0.931 -8.840 1.00 0.00 O ATOM 1305 CB PRO A 82 5.133 1.369 -5.635 1.00 0.00 C ATOM 1306 CG PRO A 82 6.506 0.794 -5.594 1.00 0.00 C ATOM 1307 CD PRO A 82 6.347 -0.678 -5.853 1.00 0.00 C ATOM 0 HA PRO A 82 3.326 0.393 -6.448 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.153 2.420 -5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.653 1.316 -4.658 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.145 1.256 -6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.975 0.971 -4.626 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.200 -1.085 -6.397 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.262 -1.242 -4.924 1.00 0.00 H new ATOM 1315 N LYS A 83 3.455 2.057 -8.298 1.00 0.00 N ATOM 1316 CA LYS A 83 3.381 2.766 -9.570 1.00 0.00 C ATOM 1317 C LYS A 83 3.053 4.240 -9.353 1.00 0.00 C ATOM 1318 O LYS A 83 2.316 4.608 -8.439 1.00 0.00 O ATOM 1319 CB LYS A 83 2.326 2.126 -10.475 1.00 0.00 C ATOM 1320 CG LYS A 83 2.588 0.659 -10.772 1.00 0.00 C ATOM 1321 CD LYS A 83 1.725 0.159 -11.918 1.00 0.00 C ATOM 1322 CE LYS A 83 2.275 0.602 -13.265 1.00 0.00 C ATOM 1323 NZ LYS A 83 3.551 -0.089 -13.597 1.00 0.00 N ATOM 0 H LYS A 83 2.705 2.284 -7.645 1.00 0.00 H new ATOM 0 HA LYS A 83 4.356 2.696 -10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.348 2.224 -10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.284 2.676 -11.415 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.640 0.519 -11.020 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.389 0.065 -9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.671 -0.929 -11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.708 0.532 -11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.539 0.399 -14.043 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.438 1.680 -13.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.744 0.009 -14.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.328 0.338 -13.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.473 -1.097 -13.355 1.00 0.00 H new ATOM 1337 N PRO A 84 3.612 5.104 -10.213 1.00 0.00 N ATOM 1338 CA PRO A 84 3.391 6.551 -10.136 1.00 0.00 C ATOM 1339 C PRO A 84 1.967 6.942 -10.517 1.00 0.00 C ATOM 1340 O PRO A 84 1.610 8.120 -10.498 1.00 0.00 O ATOM 1341 CB PRO A 84 4.390 7.117 -11.149 1.00 0.00 C ATOM 1342 CG PRO A 84 4.614 6.009 -12.119 1.00 0.00 C ATOM 1343 CD PRO A 84 4.502 4.736 -11.327 1.00 0.00 C ATOM 0 HA PRO A 84 3.528 6.930 -9.123 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.993 8.003 -11.645 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.320 7.413 -10.664 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.875 6.036 -12.920 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.595 6.092 -12.587 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.084 3.926 -11.925 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.475 4.398 -10.969 1.00 0.00 H new ATOM 1351 N CYS A 85 1.158 5.946 -10.861 1.00 0.00 N ATOM 1352 CA CYS A 85 -0.228 6.186 -11.247 1.00 0.00 C ATOM 1353 C CYS A 85 -0.304 7.125 -12.446 1.00 0.00 C ATOM 1354 O CYS A 85 -1.195 7.970 -12.532 1.00 0.00 O ATOM 1355 CB CYS A 85 -1.011 6.774 -10.073 1.00 0.00 C ATOM 1356 SG CYS A 85 -1.723 5.535 -8.965 1.00 0.00 S ATOM 0 H CYS A 85 1.438 4.965 -10.881 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.672 5.231 -11.528 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.350 7.423 -9.498 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.813 7.401 -10.463 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.912 5.913 -8.599 1.00 0.00 H new ATOM 1362 N THR A 86 0.638 6.972 -13.372 1.00 0.00 N ATOM 1363 CA THR A 86 0.680 7.808 -14.565 1.00 0.00 C ATOM 1364 C THR A 86 0.536 6.968 -15.829 1.00 0.00 C ATOM 1365 O THR A 86 0.873 5.784 -15.859 1.00 0.00 O ATOM 1366 CB THR A 86 1.992 8.611 -14.642 1.00 0.00 C ATOM 1367 OG1 THR A 86 3.112 7.742 -14.434 1.00 0.00 O ATOM 1368 CG2 THR A 86 2.008 9.723 -13.605 1.00 0.00 C ATOM 0 H THR A 86 1.382 6.276 -13.318 1.00 0.00 H new ATOM 0 HA THR A 86 -0.158 8.502 -14.495 1.00 0.00 H new ATOM 0 HB THR A 86 2.059 9.059 -15.633 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.942 8.260 -14.486 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.944 10.276 -13.679 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.172 10.399 -13.784 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.919 9.292 -12.608 1.00 0.00 H new