USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 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 83 ASN : amide:sc=-0.00525 X(o=-0.072,f=-0.18) USER MOD Set 1.2: A 86 LYS NZ :NH3+ -169:sc= -0.0671 (180deg=-0.2) USER MOD Set 2.1: A 31 CYS SG : rot 26:sc= 1.13 USER MOD Set 2.2: A 52 SER OG : rot 128:sc= 1.4 USER MOD Set 2.3: A 54 SER OG : rot -122:sc= 1.57 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.378 USER MOD Single : A 35 SER OG : rot 38:sc= 0.0368 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -1.22 USER MOD Single : A 47 HIS : no HD1:sc= -0.52 K(o=-0.52,f=-1.3) USER MOD Single : A 64 GLN : amide:sc= -5.05! C(o=-5!,f=-6.1!) USER MOD Single : A 69 ASN : amide:sc= -6.39! C(o=-6.4!,f=-7.1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN :FLIP amide:sc= -1.18 F(o=-1.7!,f=-1.2) USER MOD Single : A 78 HIS : no HD1:sc= -0.72 K(o=-0.72,f=-1.9) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 41:sc= 0.0169 USER MOD Single : A 92 THR OG1 : rot -28:sc= -2.88! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 187 N GLU A 16 -4.655 -5.484 -13.753 1.00 0.00 N ATOM 188 CA GLU A 16 -3.315 -5.183 -13.276 1.00 0.00 C ATOM 189 C GLU A 16 -2.914 -3.764 -13.684 1.00 0.00 C ATOM 190 O GLU A 16 -2.344 -3.560 -14.755 1.00 0.00 O ATOM 191 CB GLU A 16 -2.306 -6.209 -13.794 1.00 0.00 C ATOM 192 CG GLU A 16 -2.278 -7.451 -12.901 1.00 0.00 C ATOM 193 CD GLU A 16 -1.617 -8.628 -13.620 1.00 0.00 C ATOM 194 OE1 GLU A 16 -0.425 -8.483 -13.969 1.00 0.00 O ATOM 195 OE2 GLU A 16 -2.317 -9.647 -13.804 1.00 0.00 O ATOM 0 HA GLU A 16 -3.315 -5.241 -12.188 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.564 -6.496 -14.813 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.313 -5.761 -13.831 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.735 -7.230 -11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.295 -7.720 -12.614 1.00 0.00 H new ATOM 202 N LYS A 17 -3.227 -2.820 -12.808 1.00 0.00 N ATOM 203 CA LYS A 17 -2.906 -1.426 -13.064 1.00 0.00 C ATOM 204 C LYS A 17 -1.798 -0.979 -12.108 1.00 0.00 C ATOM 205 O LYS A 17 -1.698 -1.481 -10.989 1.00 0.00 O ATOM 206 CB LYS A 17 -4.167 -0.563 -12.990 1.00 0.00 C ATOM 207 CG LYS A 17 -4.606 -0.357 -11.539 1.00 0.00 C ATOM 208 CD LYS A 17 -5.525 0.859 -11.412 1.00 0.00 C ATOM 209 CE LYS A 17 -6.982 0.429 -11.231 1.00 0.00 C ATOM 210 NZ LYS A 17 -7.865 1.192 -12.141 1.00 0.00 N ATOM 0 H LYS A 17 -3.699 -2.993 -11.921 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.523 -1.303 -14.077 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.978 0.404 -13.457 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.971 -1.038 -13.553 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.124 -1.247 -11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.729 -0.222 -10.906 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.214 1.467 -10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.434 1.483 -12.301 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.080 -0.638 -11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.289 0.590 -10.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.850 0.888 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.784 2.208 -11.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.582 1.018 -13.126 1.00 0.00 H new ATOM 224 N LYS A 18 -0.994 -0.039 -12.583 1.00 0.00 N ATOM 225 CA LYS A 18 0.103 0.481 -11.784 1.00 0.00 C ATOM 226 C LYS A 18 -0.294 1.842 -11.206 1.00 0.00 C ATOM 227 O LYS A 18 -0.578 2.778 -11.952 1.00 0.00 O ATOM 228 CB LYS A 18 1.394 0.514 -12.604 1.00 0.00 C ATOM 229 CG LYS A 18 2.557 1.059 -11.773 1.00 0.00 C ATOM 230 CD LYS A 18 3.188 2.280 -12.446 1.00 0.00 C ATOM 231 CE LYS A 18 4.310 1.861 -13.399 1.00 0.00 C ATOM 232 NZ LYS A 18 4.187 2.575 -14.690 1.00 0.00 N ATOM 0 H LYS A 18 -1.080 0.376 -13.511 1.00 0.00 H new ATOM 0 HA LYS A 18 0.306 -0.178 -10.940 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.632 -0.490 -12.955 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.252 1.135 -13.488 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.202 1.330 -10.779 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.310 0.282 -11.642 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.425 2.831 -12.996 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.584 2.955 -11.687 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.278 2.077 -12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.270 0.785 -13.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.956 2.279 -15.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.271 2.348 -15.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.248 3.600 -14.527 1.00 0.00 H new ATOM 246 N VAL A 19 -0.300 1.908 -9.883 1.00 0.00 N ATOM 247 CA VAL A 19 -0.657 3.138 -9.197 1.00 0.00 C ATOM 248 C VAL A 19 0.513 3.583 -8.317 1.00 0.00 C ATOM 249 O VAL A 19 0.898 2.878 -7.386 1.00 0.00 O ATOM 250 CB VAL A 19 -1.955 2.941 -8.411 1.00 0.00 C ATOM 251 CG1 VAL A 19 -3.176 3.211 -9.293 1.00 0.00 C ATOM 252 CG2 VAL A 19 -2.019 1.540 -7.800 1.00 0.00 C ATOM 0 H VAL A 19 -0.063 1.130 -9.268 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.846 3.936 -9.916 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.965 3.663 -7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.085 3.064 -8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.141 4.237 -9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.172 2.524 -10.139 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.951 1.427 -7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.975 0.794 -8.594 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.176 1.399 -7.123 1.00 0.00 H new ATOM 262 N PHE A 20 1.045 4.752 -8.643 1.00 0.00 N ATOM 263 CA PHE A 20 2.163 5.300 -7.894 1.00 0.00 C ATOM 264 C PHE A 20 1.679 6.290 -6.832 1.00 0.00 C ATOM 265 O PHE A 20 1.145 7.348 -7.162 1.00 0.00 O ATOM 266 CB PHE A 20 3.053 6.039 -8.895 1.00 0.00 C ATOM 267 CG PHE A 20 4.552 5.883 -8.629 1.00 0.00 C ATOM 268 CD1 PHE A 20 5.032 5.989 -7.361 1.00 0.00 C ATOM 269 CD2 PHE A 20 5.403 5.637 -9.661 1.00 0.00 C ATOM 270 CE1 PHE A 20 6.423 5.844 -7.115 1.00 0.00 C ATOM 271 CE2 PHE A 20 6.794 5.491 -9.414 1.00 0.00 C ATOM 272 CZ PHE A 20 7.275 5.598 -8.146 1.00 0.00 C ATOM 0 H PHE A 20 0.723 5.335 -9.416 1.00 0.00 H new ATOM 0 HA PHE A 20 2.700 4.498 -7.387 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.833 5.675 -9.899 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.800 7.099 -8.877 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.356 6.183 -6.542 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.021 5.553 -10.668 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.805 5.929 -6.108 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.470 5.295 -10.233 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.333 5.488 -7.958 1.00 0.00 H new ATOM 282 N ILE A 21 1.883 5.911 -5.579 1.00 0.00 N ATOM 283 CA ILE A 21 1.474 6.752 -4.467 1.00 0.00 C ATOM 284 C ILE A 21 2.674 7.570 -3.984 1.00 0.00 C ATOM 285 O ILE A 21 3.708 7.009 -3.626 1.00 0.00 O ATOM 286 CB ILE A 21 0.822 5.910 -3.369 1.00 0.00 C ATOM 287 CG1 ILE A 21 -0.433 5.206 -3.891 1.00 0.00 C ATOM 288 CG2 ILE A 21 0.531 6.756 -2.128 1.00 0.00 C ATOM 289 CD1 ILE A 21 -1.630 6.159 -3.905 1.00 0.00 C ATOM 0 H ILE A 21 2.326 5.033 -5.309 1.00 0.00 H new ATOM 0 HA ILE A 21 0.711 7.462 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 21 1.526 5.134 -3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.251 4.830 -4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.658 4.343 -3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.068 6.133 -1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.463 7.170 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.145 7.569 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.509 5.634 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.824 6.514 -2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.411 7.008 -4.552 1.00 0.00 H new ATOM 301 N SER A 22 2.495 8.883 -3.989 1.00 0.00 N ATOM 302 CA SER A 22 3.550 9.783 -3.556 1.00 0.00 C ATOM 303 C SER A 22 3.156 10.455 -2.239 1.00 0.00 C ATOM 304 O SER A 22 2.108 11.094 -2.153 1.00 0.00 O ATOM 305 CB SER A 22 3.846 10.839 -4.623 1.00 0.00 C ATOM 306 OG SER A 22 4.993 11.619 -4.299 1.00 0.00 O ATOM 0 H SER A 22 1.635 9.345 -4.286 1.00 0.00 H new ATOM 0 HA SER A 22 4.457 9.198 -3.401 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.001 10.349 -5.584 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.982 11.494 -4.734 1.00 0.00 H new ATOM 0 HG SER A 22 5.149 12.280 -5.005 1.00 0.00 H new ATOM 312 N LEU A 23 4.016 10.289 -1.246 1.00 0.00 N ATOM 313 CA LEU A 23 3.771 10.871 0.063 1.00 0.00 C ATOM 314 C LEU A 23 4.562 12.175 0.192 1.00 0.00 C ATOM 315 O LEU A 23 5.493 12.264 0.990 1.00 0.00 O ATOM 316 CB LEU A 23 4.075 9.856 1.166 1.00 0.00 C ATOM 317 CG LEU A 23 2.912 8.955 1.587 1.00 0.00 C ATOM 318 CD1 LEU A 23 1.661 9.780 1.894 1.00 0.00 C ATOM 319 CD2 LEU A 23 2.644 7.879 0.532 1.00 0.00 C ATOM 0 H LEU A 23 4.884 9.759 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 23 2.717 11.124 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.897 9.223 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.425 10.398 2.044 1.00 0.00 H new ATOM 0 HG LEU A 23 3.193 8.443 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.850 9.115 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.874 10.476 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.366 10.338 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.813 7.252 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.393 8.354 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.535 7.264 0.405 1.00 0.00 H new ATOM 415 N GLY A 30 -5.006 7.838 2.624 1.00 0.00 N ATOM 416 CA GLY A 30 -6.151 7.818 3.518 1.00 0.00 C ATOM 417 C GLY A 30 -7.045 6.609 3.237 1.00 0.00 C ATOM 418 O GLY A 30 -8.258 6.672 3.429 1.00 0.00 O ATOM 0 HA2 GLY A 30 -5.809 7.789 4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.726 8.736 3.398 1.00 0.00 H new ATOM 422 N CYS A 31 -6.411 5.536 2.786 1.00 0.00 N ATOM 423 CA CYS A 31 -7.135 4.315 2.475 1.00 0.00 C ATOM 424 C CYS A 31 -6.755 3.256 3.512 1.00 0.00 C ATOM 425 O CYS A 31 -5.638 3.258 4.027 1.00 0.00 O ATOM 426 CB CYS A 31 -6.858 3.841 1.047 1.00 0.00 C ATOM 427 SG CYS A 31 -5.057 3.637 0.793 1.00 0.00 S ATOM 0 H CYS A 31 -5.404 5.487 2.629 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.208 4.502 2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.369 2.896 0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.255 4.562 0.332 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.482 3.401 1.935 1.00 0.00 H new ATOM 433 N SER A 32 -7.706 2.375 3.787 1.00 0.00 N ATOM 434 CA SER A 32 -7.485 1.312 4.753 1.00 0.00 C ATOM 435 C SER A 32 -7.167 0.004 4.027 1.00 0.00 C ATOM 436 O SER A 32 -7.765 -0.300 2.996 1.00 0.00 O ATOM 437 CB SER A 32 -8.703 1.132 5.662 1.00 0.00 C ATOM 438 OG SER A 32 -8.339 1.082 7.038 1.00 0.00 O ATOM 0 H SER A 32 -8.631 2.376 3.358 1.00 0.00 H new ATOM 0 HA SER A 32 -6.636 1.589 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.400 1.954 5.501 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.225 0.214 5.391 1.00 0.00 H new ATOM 0 HG SER A 32 -9.144 0.968 7.585 1.00 0.00 H new ATOM 444 N ILE A 33 -6.225 -0.736 4.594 1.00 0.00 N ATOM 445 CA ILE A 33 -5.820 -2.005 4.014 1.00 0.00 C ATOM 446 C ILE A 33 -6.216 -3.142 4.958 1.00 0.00 C ATOM 447 O ILE A 33 -6.186 -2.981 6.177 1.00 0.00 O ATOM 448 CB ILE A 33 -4.329 -1.984 3.668 1.00 0.00 C ATOM 449 CG1 ILE A 33 -3.484 -1.663 4.902 1.00 0.00 C ATOM 450 CG2 ILE A 33 -4.048 -1.020 2.513 1.00 0.00 C ATOM 451 CD1 ILE A 33 -2.078 -2.252 4.772 1.00 0.00 C ATOM 0 H ILE A 33 -5.731 -0.481 5.449 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.340 -2.177 3.072 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.042 -2.981 3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.419 -0.583 5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.969 -2.062 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.982 -1.024 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.607 -1.335 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.355 -0.013 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.498 -2.009 5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.145 -3.335 4.667 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.587 -1.832 3.894 1.00 0.00 H new ATOM 463 N SER A 34 -6.578 -4.267 4.358 1.00 0.00 N ATOM 464 CA SER A 34 -6.979 -5.431 5.130 1.00 0.00 C ATOM 465 C SER A 34 -6.145 -6.645 4.719 1.00 0.00 C ATOM 466 O SER A 34 -5.460 -6.615 3.697 1.00 0.00 O ATOM 467 CB SER A 34 -8.470 -5.724 4.949 1.00 0.00 C ATOM 468 OG SER A 34 -8.728 -7.120 4.823 1.00 0.00 O ATOM 0 H SER A 34 -6.602 -4.397 3.347 1.00 0.00 H new ATOM 0 HA SER A 34 -6.803 -5.219 6.185 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.023 -5.328 5.801 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.836 -5.206 4.063 1.00 0.00 H new ATOM 0 HG SER A 34 -9.691 -7.266 4.711 1.00 0.00 H new ATOM 474 N SER A 35 -6.230 -7.685 5.535 1.00 0.00 N ATOM 475 CA SER A 35 -5.491 -8.908 5.268 1.00 0.00 C ATOM 476 C SER A 35 -6.453 -10.019 4.845 1.00 0.00 C ATOM 477 O SER A 35 -7.425 -10.304 5.544 1.00 0.00 O ATOM 478 CB SER A 35 -4.685 -9.342 6.494 1.00 0.00 C ATOM 479 OG SER A 35 -5.478 -9.354 7.678 1.00 0.00 O ATOM 0 H SER A 35 -6.799 -7.706 6.381 1.00 0.00 H new ATOM 0 HA SER A 35 -4.791 -8.714 4.456 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.273 -10.337 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.840 -8.666 6.630 1.00 0.00 H new ATOM 0 HG SER A 35 -6.376 -9.683 7.467 1.00 0.00 H new ATOM 485 N GLY A 36 -6.150 -10.617 3.702 1.00 0.00 N ATOM 486 CA GLY A 36 -6.976 -11.691 3.177 1.00 0.00 C ATOM 487 C GLY A 36 -6.728 -12.995 3.938 1.00 0.00 C ATOM 488 O GLY A 36 -5.780 -13.094 4.715 1.00 0.00 O ATOM 0 H GLY A 36 -5.344 -10.378 3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.028 -11.416 3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.760 -11.837 2.119 1.00 0.00 H new ATOM 492 N PRO A 37 -7.620 -13.989 3.680 1.00 0.00 N ATOM 493 CA PRO A 37 -7.507 -15.283 4.331 1.00 0.00 C ATOM 494 C PRO A 37 -6.366 -16.104 3.726 1.00 0.00 C ATOM 495 O PRO A 37 -5.604 -15.601 2.902 1.00 0.00 O ATOM 496 CB PRO A 37 -8.869 -15.935 4.150 1.00 0.00 C ATOM 497 CG PRO A 37 -9.541 -15.186 3.011 1.00 0.00 C ATOM 498 CD PRO A 37 -8.756 -13.908 2.766 1.00 0.00 C ATOM 0 HA PRO A 37 -7.257 -15.201 5.389 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.767 -16.994 3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.459 -15.867 5.064 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.562 -15.800 2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.576 -14.956 3.264 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.426 -13.839 1.729 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.364 -13.026 2.967 1.00 0.00 H new ATOM 506 N ILE A 38 -6.285 -17.353 4.159 1.00 0.00 N ATOM 507 CA ILE A 38 -5.250 -18.248 3.671 1.00 0.00 C ATOM 508 C ILE A 38 -5.556 -18.633 2.222 1.00 0.00 C ATOM 509 O ILE A 38 -4.645 -18.900 1.441 1.00 0.00 O ATOM 510 CB ILE A 38 -5.094 -19.449 4.606 1.00 0.00 C ATOM 511 CG1 ILE A 38 -4.109 -20.469 4.030 1.00 0.00 C ATOM 512 CG2 ILE A 38 -6.453 -20.078 4.921 1.00 0.00 C ATOM 513 CD1 ILE A 38 -3.465 -21.297 5.143 1.00 0.00 C ATOM 0 H ILE A 38 -6.919 -17.767 4.842 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.282 -17.746 3.671 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.676 -19.096 5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.628 -21.129 3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.335 -19.952 3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.314 -20.929 5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.092 -19.339 5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.922 -20.414 3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.769 -22.014 4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.927 -20.637 5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.239 -21.831 5.694 1.00 0.00 H new ATOM 525 N GLN A 39 -6.843 -18.649 1.907 1.00 0.00 N ATOM 526 CA GLN A 39 -7.281 -18.997 0.566 1.00 0.00 C ATOM 527 C GLN A 39 -7.069 -17.817 -0.384 1.00 0.00 C ATOM 528 O GLN A 39 -6.805 -18.010 -1.570 1.00 0.00 O ATOM 529 CB GLN A 39 -8.744 -19.444 0.566 1.00 0.00 C ATOM 530 CG GLN A 39 -9.671 -18.290 0.954 1.00 0.00 C ATOM 531 CD GLN A 39 -11.070 -18.803 1.301 1.00 0.00 C ATOM 532 OE1 GLN A 39 -11.893 -19.068 0.440 1.00 0.00 O ATOM 533 NE2 GLN A 39 -11.292 -18.928 2.606 1.00 0.00 N ATOM 0 H GLN A 39 -7.596 -18.427 2.558 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.679 -19.835 0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.014 -19.815 -0.422 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.875 -20.271 1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.254 -17.755 1.807 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.735 -17.578 0.131 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.559 -18.688 3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.196 -19.263 2.940 1.00 0.00 H new ATOM 542 N LYS A 40 -7.192 -16.620 0.172 1.00 0.00 N ATOM 543 CA LYS A 40 -7.016 -15.409 -0.611 1.00 0.00 C ATOM 544 C LYS A 40 -6.202 -14.397 0.197 1.00 0.00 C ATOM 545 O LYS A 40 -6.692 -13.316 0.519 1.00 0.00 O ATOM 546 CB LYS A 40 -8.371 -14.874 -1.081 1.00 0.00 C ATOM 547 CG LYS A 40 -8.204 -13.930 -2.273 1.00 0.00 C ATOM 548 CD LYS A 40 -9.549 -13.336 -2.694 1.00 0.00 C ATOM 549 CE LYS A 40 -9.362 -12.262 -3.768 1.00 0.00 C ATOM 550 NZ LYS A 40 -9.472 -12.855 -5.119 1.00 0.00 N ATOM 0 H LYS A 40 -7.412 -16.463 1.156 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.450 -15.621 -1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.018 -15.706 -1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.862 -14.348 -0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.514 -13.128 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.763 -14.470 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.197 -14.126 -3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.048 -12.905 -1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.113 -11.482 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.387 -11.788 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.343 -12.112 -5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.740 -13.583 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.411 -13.286 -5.233 1.00 0.00 H new ATOM 564 N PRO A 41 -4.940 -14.795 0.511 1.00 0.00 N ATOM 565 CA PRO A 41 -4.053 -13.935 1.276 1.00 0.00 C ATOM 566 C PRO A 41 -3.516 -12.793 0.411 1.00 0.00 C ATOM 567 O PRO A 41 -3.273 -12.973 -0.781 1.00 0.00 O ATOM 568 CB PRO A 41 -2.959 -14.856 1.790 1.00 0.00 C ATOM 569 CG PRO A 41 -3.015 -16.098 0.916 1.00 0.00 C ATOM 570 CD PRO A 41 -4.326 -16.068 0.147 1.00 0.00 C ATOM 0 HA PRO A 41 -4.559 -13.439 2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.982 -14.376 1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.121 -15.108 2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.170 -16.119 0.228 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.952 -16.998 1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.156 -16.133 -0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.965 -16.908 0.420 1.00 0.00 H new ATOM 578 N GLY A 42 -3.346 -11.642 1.045 1.00 0.00 N ATOM 579 CA GLY A 42 -2.842 -10.471 0.349 1.00 0.00 C ATOM 580 C GLY A 42 -3.258 -9.185 1.066 1.00 0.00 C ATOM 581 O GLY A 42 -3.741 -9.229 2.196 1.00 0.00 O ATOM 0 H GLY A 42 -3.549 -11.496 2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.755 -10.521 0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.220 -10.460 -0.673 1.00 0.00 H new ATOM 585 N ILE A 43 -3.056 -8.070 0.379 1.00 0.00 N ATOM 586 CA ILE A 43 -3.405 -6.774 0.936 1.00 0.00 C ATOM 587 C ILE A 43 -4.466 -6.114 0.054 1.00 0.00 C ATOM 588 O ILE A 43 -4.204 -5.792 -1.104 1.00 0.00 O ATOM 589 CB ILE A 43 -2.151 -5.921 1.132 1.00 0.00 C ATOM 590 CG1 ILE A 43 -1.094 -6.677 1.940 1.00 0.00 C ATOM 591 CG2 ILE A 43 -2.499 -4.572 1.764 1.00 0.00 C ATOM 592 CD1 ILE A 43 -1.404 -6.621 3.437 1.00 0.00 C ATOM 0 H ILE A 43 -2.655 -8.037 -0.558 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.842 -6.890 1.928 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.721 -5.716 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.055 -7.716 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.111 -6.246 1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.590 -3.985 1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.190 -4.034 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.966 -4.735 2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.637 -7.166 3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.419 -5.582 3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.377 -7.075 3.624 1.00 0.00 H new ATOM 604 N PHE A 44 -5.643 -5.931 0.635 1.00 0.00 N ATOM 605 CA PHE A 44 -6.745 -5.315 -0.083 1.00 0.00 C ATOM 606 C PHE A 44 -7.235 -4.058 0.638 1.00 0.00 C ATOM 607 O PHE A 44 -7.186 -3.982 1.865 1.00 0.00 O ATOM 608 CB PHE A 44 -7.881 -6.340 -0.124 1.00 0.00 C ATOM 609 CG PHE A 44 -7.437 -7.744 -0.538 1.00 0.00 C ATOM 610 CD1 PHE A 44 -6.635 -8.474 0.284 1.00 0.00 C ATOM 611 CD2 PHE A 44 -7.844 -8.263 -1.727 1.00 0.00 C ATOM 612 CE1 PHE A 44 -6.223 -9.777 -0.100 1.00 0.00 C ATOM 613 CE2 PHE A 44 -7.432 -9.567 -2.111 1.00 0.00 C ATOM 614 CZ PHE A 44 -6.630 -10.296 -1.289 1.00 0.00 C ATOM 0 H PHE A 44 -5.857 -6.199 1.596 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.422 -5.025 -1.083 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.345 -6.392 0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.646 -5.992 -0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.312 -8.062 1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.481 -7.684 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.586 -10.356 0.552 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.755 -9.980 -3.055 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.316 -11.287 -1.581 1.00 0.00 H new ATOM 624 N ILE A 45 -7.696 -3.101 -0.155 1.00 0.00 N ATOM 625 CA ILE A 45 -8.194 -1.851 0.392 1.00 0.00 C ATOM 626 C ILE A 45 -9.588 -2.076 0.981 1.00 0.00 C ATOM 627 O ILE A 45 -10.398 -2.802 0.407 1.00 0.00 O ATOM 628 CB ILE A 45 -8.144 -0.746 -0.664 1.00 0.00 C ATOM 629 CG1 ILE A 45 -6.703 -0.302 -0.926 1.00 0.00 C ATOM 630 CG2 ILE A 45 -9.042 0.429 -0.273 1.00 0.00 C ATOM 631 CD1 ILE A 45 -6.662 0.899 -1.873 1.00 0.00 C ATOM 0 H ILE A 45 -7.735 -3.167 -1.172 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.555 -1.511 1.206 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.532 -1.151 -1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.222 -0.043 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.137 -1.128 -1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.987 1.200 -1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.072 0.084 -0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.708 0.841 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.626 1.194 -2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.122 0.629 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.208 1.731 -1.429 1.00 0.00 H new ATOM 643 N SER A 46 -9.825 -1.440 2.119 1.00 0.00 N ATOM 644 CA SER A 46 -11.107 -1.562 2.791 1.00 0.00 C ATOM 645 C SER A 46 -11.921 -0.280 2.602 1.00 0.00 C ATOM 646 O SER A 46 -13.137 -0.333 2.422 1.00 0.00 O ATOM 647 CB SER A 46 -10.922 -1.858 4.281 1.00 0.00 C ATOM 648 OG SER A 46 -11.188 -0.716 5.089 1.00 0.00 O ATOM 0 H SER A 46 -9.151 -0.839 2.592 1.00 0.00 H new ATOM 0 HA SER A 46 -11.648 -2.397 2.346 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.585 -2.672 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.902 -2.198 4.459 1.00 0.00 H new ATOM 0 HG SER A 46 -11.061 -0.946 6.033 1.00 0.00 H new ATOM 654 N HIS A 47 -11.218 0.842 2.649 1.00 0.00 N ATOM 655 CA HIS A 47 -11.860 2.135 2.485 1.00 0.00 C ATOM 656 C HIS A 47 -10.849 3.144 1.936 1.00 0.00 C ATOM 657 O HIS A 47 -9.642 2.962 2.085 1.00 0.00 O ATOM 658 CB HIS A 47 -12.502 2.593 3.796 1.00 0.00 C ATOM 659 CG HIS A 47 -13.278 3.884 3.683 1.00 0.00 C ATOM 660 ND1 HIS A 47 -12.679 5.128 3.771 1.00 0.00 N ATOM 661 CD2 HIS A 47 -14.608 4.110 3.486 1.00 0.00 C ATOM 662 CE1 HIS A 47 -13.616 6.054 3.633 1.00 0.00 C ATOM 663 NE2 HIS A 47 -14.811 5.421 3.458 1.00 0.00 N ATOM 0 H HIS A 47 -10.210 0.882 2.798 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.670 2.053 1.760 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.170 1.810 4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.722 2.715 4.547 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.368 3.351 3.372 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.461 7.123 3.655 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.713 5.880 3.327 1.00 0.00 H new ATOM 671 N VAL A 48 -11.380 4.186 1.313 1.00 0.00 N ATOM 672 CA VAL A 48 -10.540 5.224 0.741 1.00 0.00 C ATOM 673 C VAL A 48 -11.102 6.595 1.119 1.00 0.00 C ATOM 674 O VAL A 48 -12.267 6.887 0.854 1.00 0.00 O ATOM 675 CB VAL A 48 -10.417 5.024 -0.771 1.00 0.00 C ATOM 676 CG1 VAL A 48 -9.771 6.242 -1.434 1.00 0.00 C ATOM 677 CG2 VAL A 48 -9.638 3.747 -1.093 1.00 0.00 C ATOM 0 H VAL A 48 -12.382 4.333 1.192 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.530 5.164 1.146 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.422 4.915 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.695 6.074 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.382 7.125 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.775 6.396 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.565 3.628 -2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.637 3.814 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.156 2.888 -0.668 1.00 0.00 H new ATOM 730 N SER A 52 -7.528 11.461 -0.896 1.00 0.00 N ATOM 731 CA SER A 52 -6.358 10.783 -0.365 1.00 0.00 C ATOM 732 C SER A 52 -5.382 10.458 -1.498 1.00 0.00 C ATOM 733 O SER A 52 -5.689 10.679 -2.668 1.00 0.00 O ATOM 734 CB SER A 52 -6.752 9.505 0.379 1.00 0.00 C ATOM 735 OG SER A 52 -7.068 8.442 -0.516 1.00 0.00 O ATOM 0 HA SER A 52 -5.870 11.450 0.346 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.934 9.199 1.031 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.611 9.708 1.018 1.00 0.00 H new ATOM 0 HG SER A 52 -6.550 7.646 -0.275 1.00 0.00 H new ATOM 741 N LEU A 53 -4.227 9.938 -1.110 1.00 0.00 N ATOM 742 CA LEU A 53 -3.204 9.581 -2.078 1.00 0.00 C ATOM 743 C LEU A 53 -3.720 8.443 -2.961 1.00 0.00 C ATOM 744 O LEU A 53 -3.206 8.220 -4.056 1.00 0.00 O ATOM 745 CB LEU A 53 -1.885 9.262 -1.372 1.00 0.00 C ATOM 746 CG LEU A 53 -0.686 10.126 -1.767 1.00 0.00 C ATOM 747 CD1 LEU A 53 -0.727 10.472 -3.257 1.00 0.00 C ATOM 748 CD2 LEU A 53 -0.600 11.378 -0.891 1.00 0.00 C ATOM 0 H LEU A 53 -3.977 9.755 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.990 10.424 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.039 9.359 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.635 8.219 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 53 0.222 9.549 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.136 11.087 -3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.705 9.554 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.642 11.022 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.261 11.975 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.509 11.968 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.490 11.085 0.153 1.00 0.00 H new ATOM 760 N SER A 54 -4.730 7.752 -2.452 1.00 0.00 N ATOM 761 CA SER A 54 -5.320 6.643 -3.180 1.00 0.00 C ATOM 762 C SER A 54 -6.534 7.126 -3.976 1.00 0.00 C ATOM 763 O SER A 54 -6.819 6.609 -5.055 1.00 0.00 O ATOM 764 CB SER A 54 -5.725 5.513 -2.230 1.00 0.00 C ATOM 765 OG SER A 54 -5.920 5.980 -0.898 1.00 0.00 O ATOM 0 H SER A 54 -5.154 7.940 -1.544 1.00 0.00 H new ATOM 0 HA SER A 54 -4.573 6.251 -3.870 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.643 5.049 -2.590 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.955 4.742 -2.235 1.00 0.00 H new ATOM 0 HG SER A 54 -5.327 5.491 -0.290 1.00 0.00 H new ATOM 771 N ALA A 55 -7.216 8.113 -3.413 1.00 0.00 N ATOM 772 CA ALA A 55 -8.393 8.672 -4.057 1.00 0.00 C ATOM 773 C ALA A 55 -7.964 9.459 -5.297 1.00 0.00 C ATOM 774 O ALA A 55 -8.669 9.468 -6.306 1.00 0.00 O ATOM 775 CB ALA A 55 -9.161 9.536 -3.055 1.00 0.00 C ATOM 0 H ALA A 55 -6.976 8.540 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.065 7.879 -4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.044 9.955 -3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.468 8.924 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.520 10.345 -2.706 1.00 0.00 H new ATOM 781 N GLU A 56 -6.811 10.101 -5.182 1.00 0.00 N ATOM 782 CA GLU A 56 -6.280 10.889 -6.282 1.00 0.00 C ATOM 783 C GLU A 56 -6.062 10.005 -7.512 1.00 0.00 C ATOM 784 O GLU A 56 -6.281 10.441 -8.641 1.00 0.00 O ATOM 785 CB GLU A 56 -4.984 11.594 -5.876 1.00 0.00 C ATOM 786 CG GLU A 56 -3.959 10.591 -5.343 1.00 0.00 C ATOM 787 CD GLU A 56 -2.543 11.169 -5.405 1.00 0.00 C ATOM 788 OE1 GLU A 56 -2.396 12.350 -5.025 1.00 0.00 O ATOM 789 OE2 GLU A 56 -1.641 10.416 -5.830 1.00 0.00 O ATOM 0 H GLU A 56 -6.229 10.092 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.009 11.658 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.569 12.123 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.197 12.343 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.204 10.328 -4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.006 9.672 -5.927 1.00 0.00 H new ATOM 796 N VAL A 57 -5.632 8.779 -7.251 1.00 0.00 N ATOM 797 CA VAL A 57 -5.382 7.830 -8.322 1.00 0.00 C ATOM 798 C VAL A 57 -6.703 7.185 -8.745 1.00 0.00 C ATOM 799 O VAL A 57 -6.816 6.663 -9.853 1.00 0.00 O ATOM 800 CB VAL A 57 -4.331 6.809 -7.882 1.00 0.00 C ATOM 801 CG1 VAL A 57 -2.977 7.482 -7.647 1.00 0.00 C ATOM 802 CG2 VAL A 57 -4.791 6.053 -6.634 1.00 0.00 C ATOM 0 H VAL A 57 -5.450 8.421 -6.313 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.975 8.339 -9.196 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.210 6.085 -8.687 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.248 6.734 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.640 7.954 -8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.077 8.238 -6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.026 5.333 -6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.954 6.759 -5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.721 5.527 -6.850 1.00 0.00 H new ATOM 812 N GLY A 58 -7.669 7.241 -7.839 1.00 0.00 N ATOM 813 CA GLY A 58 -8.977 6.668 -8.104 1.00 0.00 C ATOM 814 C GLY A 58 -9.074 5.243 -7.555 1.00 0.00 C ATOM 815 O GLY A 58 -9.819 4.419 -8.082 1.00 0.00 O ATOM 0 H GLY A 58 -7.571 7.675 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.749 7.290 -7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.164 6.661 -9.178 1.00 0.00 H new ATOM 819 N LEU A 59 -8.309 4.997 -6.501 1.00 0.00 N ATOM 820 CA LEU A 59 -8.299 3.686 -5.874 1.00 0.00 C ATOM 821 C LEU A 59 -9.641 3.447 -5.181 1.00 0.00 C ATOM 822 O LEU A 59 -10.210 4.363 -4.589 1.00 0.00 O ATOM 823 CB LEU A 59 -7.092 3.547 -4.943 1.00 0.00 C ATOM 824 CG LEU A 59 -5.794 3.066 -5.595 1.00 0.00 C ATOM 825 CD1 LEU A 59 -4.640 3.076 -4.591 1.00 0.00 C ATOM 826 CD2 LEU A 59 -5.980 1.692 -6.241 1.00 0.00 C ATOM 0 H LEU A 59 -7.692 5.683 -6.066 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.185 2.905 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.904 4.514 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.353 2.853 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.534 3.763 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.729 2.730 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.490 4.090 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.878 2.416 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.042 1.374 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.277 0.970 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.754 1.752 -7.007 1.00 0.00 H new ATOM 838 N GLU A 60 -10.108 2.211 -5.276 1.00 0.00 N ATOM 839 CA GLU A 60 -11.373 1.839 -4.665 1.00 0.00 C ATOM 840 C GLU A 60 -11.221 0.534 -3.881 1.00 0.00 C ATOM 841 O GLU A 60 -10.201 -0.144 -3.989 1.00 0.00 O ATOM 842 CB GLU A 60 -12.477 1.721 -5.718 1.00 0.00 C ATOM 843 CG GLU A 60 -12.413 2.882 -6.712 1.00 0.00 C ATOM 844 CD GLU A 60 -13.607 2.851 -7.669 1.00 0.00 C ATOM 845 OE1 GLU A 60 -14.745 2.934 -7.159 1.00 0.00 O ATOM 846 OE2 GLU A 60 -13.354 2.745 -8.888 1.00 0.00 O ATOM 0 H GLU A 60 -9.633 1.454 -5.767 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.663 2.626 -3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.377 0.775 -6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.451 1.709 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.400 3.828 -6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.485 2.828 -7.281 1.00 0.00 H new ATOM 853 N ILE A 61 -12.251 0.222 -3.108 1.00 0.00 N ATOM 854 CA ILE A 61 -12.245 -0.989 -2.306 1.00 0.00 C ATOM 855 C ILE A 61 -12.181 -2.207 -3.230 1.00 0.00 C ATOM 856 O ILE A 61 -12.933 -2.295 -4.200 1.00 0.00 O ATOM 857 CB ILE A 61 -13.439 -1.005 -1.350 1.00 0.00 C ATOM 858 CG1 ILE A 61 -13.396 0.193 -0.399 1.00 0.00 C ATOM 859 CG2 ILE A 61 -13.520 -2.333 -0.595 1.00 0.00 C ATOM 860 CD1 ILE A 61 -14.731 0.364 0.328 1.00 0.00 C ATOM 0 H ILE A 61 -13.095 0.787 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.359 -1.022 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.350 -0.915 -1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.596 0.055 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -13.164 1.099 -0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.378 -2.317 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.632 -3.150 -1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.608 -2.479 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.673 1.222 0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -15.525 0.526 -0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -14.948 -0.534 0.907 1.00 0.00 H new ATOM 872 N GLY A 62 -11.277 -3.117 -2.897 1.00 0.00 N ATOM 873 CA GLY A 62 -11.105 -4.325 -3.684 1.00 0.00 C ATOM 874 C GLY A 62 -9.710 -4.379 -4.309 1.00 0.00 C ATOM 875 O GLY A 62 -9.150 -5.459 -4.494 1.00 0.00 O ATOM 0 H GLY A 62 -10.656 -3.041 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.258 -5.200 -3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.861 -4.363 -4.469 1.00 0.00 H new ATOM 879 N ASP A 63 -9.188 -3.201 -4.616 1.00 0.00 N ATOM 880 CA ASP A 63 -7.868 -3.100 -5.215 1.00 0.00 C ATOM 881 C ASP A 63 -6.851 -3.812 -4.321 1.00 0.00 C ATOM 882 O ASP A 63 -6.380 -3.244 -3.337 1.00 0.00 O ATOM 883 CB ASP A 63 -7.436 -1.639 -5.353 1.00 0.00 C ATOM 884 CG ASP A 63 -8.294 -0.797 -6.299 1.00 0.00 C ATOM 885 OD1 ASP A 63 -8.676 -1.344 -7.357 1.00 0.00 O ATOM 886 OD2 ASP A 63 -8.550 0.373 -5.943 1.00 0.00 O ATOM 0 H ASP A 63 -9.655 -2.308 -4.461 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.910 -3.558 -6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.450 -1.177 -4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.404 -1.613 -5.703 1.00 0.00 H new ATOM 891 N GLN A 64 -6.542 -5.045 -4.695 1.00 0.00 N ATOM 892 CA GLN A 64 -5.589 -5.840 -3.939 1.00 0.00 C ATOM 893 C GLN A 64 -4.159 -5.491 -4.355 1.00 0.00 C ATOM 894 O GLN A 64 -3.844 -5.461 -5.544 1.00 0.00 O ATOM 895 CB GLN A 64 -5.862 -7.335 -4.114 1.00 0.00 C ATOM 896 CG GLN A 64 -4.817 -8.173 -3.375 1.00 0.00 C ATOM 897 CD GLN A 64 -4.956 -9.656 -3.725 1.00 0.00 C ATOM 898 OE1 GLN A 64 -5.844 -10.068 -4.454 1.00 0.00 O ATOM 899 NE2 GLN A 64 -4.032 -10.433 -3.167 1.00 0.00 N ATOM 0 H GLN A 64 -6.935 -5.513 -5.512 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.706 -5.604 -2.881 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.857 -7.573 -3.738 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.853 -7.588 -5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.817 -7.826 -3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.931 -8.037 -2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.316 -10.024 -2.567 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.039 -11.438 -3.340 1.00 0.00 H new ATOM 908 N ILE A 65 -3.330 -5.237 -3.353 1.00 0.00 N ATOM 909 CA ILE A 65 -1.941 -4.891 -3.600 1.00 0.00 C ATOM 910 C ILE A 65 -1.125 -6.173 -3.780 1.00 0.00 C ATOM 911 O ILE A 65 -0.888 -6.902 -2.819 1.00 0.00 O ATOM 912 CB ILE A 65 -1.411 -3.976 -2.494 1.00 0.00 C ATOM 913 CG1 ILE A 65 -2.344 -2.783 -2.276 1.00 0.00 C ATOM 914 CG2 ILE A 65 0.024 -3.535 -2.787 1.00 0.00 C ATOM 915 CD1 ILE A 65 -2.164 -2.195 -0.875 1.00 0.00 C ATOM 0 H ILE A 65 -3.594 -5.264 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.850 -4.321 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.389 -4.543 -1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.142 -2.017 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.379 -3.096 -2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.376 -2.886 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.668 -4.412 -2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.052 -2.993 -3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.839 -1.349 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.391 -2.957 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.134 -1.860 -0.750 1.00 0.00 H new ATOM 927 N VAL A 66 -0.719 -6.409 -5.019 1.00 0.00 N ATOM 928 CA VAL A 66 0.065 -7.590 -5.338 1.00 0.00 C ATOM 929 C VAL A 66 1.547 -7.215 -5.389 1.00 0.00 C ATOM 930 O VAL A 66 2.414 -8.065 -5.191 1.00 0.00 O ATOM 931 CB VAL A 66 -0.439 -8.217 -6.640 1.00 0.00 C ATOM 932 CG1 VAL A 66 -1.953 -8.432 -6.595 1.00 0.00 C ATOM 933 CG2 VAL A 66 -0.041 -7.365 -7.847 1.00 0.00 C ATOM 0 H VAL A 66 -0.918 -5.802 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.052 -8.347 -4.562 1.00 0.00 H new ATOM 0 HB VAL A 66 0.034 -9.193 -6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.285 -8.879 -7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.202 -9.097 -5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.453 -7.474 -6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.411 -7.832 -8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.473 -6.369 -7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.045 -7.286 -7.894 1.00 0.00 H new ATOM 943 N GLU A 67 1.793 -5.940 -5.655 1.00 0.00 N ATOM 944 CA GLU A 67 3.156 -5.442 -5.735 1.00 0.00 C ATOM 945 C GLU A 67 3.208 -3.971 -5.318 1.00 0.00 C ATOM 946 O GLU A 67 2.223 -3.248 -5.456 1.00 0.00 O ATOM 947 CB GLU A 67 3.729 -5.635 -7.140 1.00 0.00 C ATOM 948 CG GLU A 67 5.056 -4.890 -7.298 1.00 0.00 C ATOM 949 CD GLU A 67 5.567 -4.979 -8.737 1.00 0.00 C ATOM 950 OE1 GLU A 67 5.158 -4.111 -9.539 1.00 0.00 O ATOM 951 OE2 GLU A 67 6.354 -5.913 -9.004 1.00 0.00 O ATOM 0 H GLU A 67 1.072 -5.237 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 67 3.774 -6.017 -5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.879 -6.697 -7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.015 -5.274 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.926 -3.844 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.797 -5.311 -6.619 1.00 0.00 H new ATOM 958 N VAL A 68 4.368 -3.571 -4.818 1.00 0.00 N ATOM 959 CA VAL A 68 4.562 -2.199 -4.381 1.00 0.00 C ATOM 960 C VAL A 68 6.041 -1.830 -4.514 1.00 0.00 C ATOM 961 O VAL A 68 6.884 -2.359 -3.791 1.00 0.00 O ATOM 962 CB VAL A 68 4.027 -2.023 -2.958 1.00 0.00 C ATOM 963 CG1 VAL A 68 4.300 -0.609 -2.442 1.00 0.00 C ATOM 964 CG2 VAL A 68 2.535 -2.355 -2.888 1.00 0.00 C ATOM 0 H VAL A 68 5.183 -4.173 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 68 3.998 -1.513 -5.013 1.00 0.00 H new ATOM 0 HB VAL A 68 4.556 -2.723 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.910 -0.510 -1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.374 -0.425 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.810 0.116 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.180 -2.222 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.983 -1.691 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.378 -3.389 -3.195 1.00 0.00 H new ATOM 974 N ASN A 69 6.310 -0.925 -5.443 1.00 0.00 N ATOM 975 CA ASN A 69 7.673 -0.479 -5.680 1.00 0.00 C ATOM 976 C ASN A 69 8.544 -1.683 -6.041 1.00 0.00 C ATOM 977 O ASN A 69 9.735 -1.707 -5.734 1.00 0.00 O ATOM 978 CB ASN A 69 8.264 0.174 -4.429 1.00 0.00 C ATOM 979 CG ASN A 69 8.772 1.585 -4.734 1.00 0.00 C ATOM 980 OD1 ASN A 69 8.736 2.055 -5.859 1.00 0.00 O ATOM 981 ND2 ASN A 69 9.246 2.231 -3.673 1.00 0.00 N ATOM 0 H ASN A 69 5.608 -0.488 -6.040 1.00 0.00 H new ATOM 0 HA ASN A 69 7.653 0.248 -6.492 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.508 0.218 -3.645 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.083 -0.437 -4.048 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.609 3.179 -3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.247 1.779 -2.759 1.00 0.00 H new ATOM 988 N GLY A 70 7.916 -2.655 -6.688 1.00 0.00 N ATOM 989 CA GLY A 70 8.619 -3.860 -7.094 1.00 0.00 C ATOM 990 C GLY A 70 8.739 -4.844 -5.928 1.00 0.00 C ATOM 991 O GLY A 70 9.617 -5.705 -5.926 1.00 0.00 O ATOM 0 H GLY A 70 6.928 -2.632 -6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.089 -4.333 -7.921 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.613 -3.600 -7.459 1.00 0.00 H new ATOM 995 N VAL A 71 7.843 -4.683 -4.966 1.00 0.00 N ATOM 996 CA VAL A 71 7.837 -5.547 -3.797 1.00 0.00 C ATOM 997 C VAL A 71 6.775 -6.634 -3.977 1.00 0.00 C ATOM 998 O VAL A 71 5.844 -6.473 -4.764 1.00 0.00 O ATOM 999 CB VAL A 71 7.630 -4.713 -2.531 1.00 0.00 C ATOM 1000 CG1 VAL A 71 7.624 -5.600 -1.285 1.00 0.00 C ATOM 1001 CG2 VAL A 71 8.691 -3.616 -2.418 1.00 0.00 C ATOM 0 H VAL A 71 7.116 -3.967 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 71 8.799 -6.047 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 71 6.655 -4.231 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.475 -4.982 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.816 -6.327 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.577 -6.123 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.521 -3.038 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.681 -4.070 -2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.627 -2.958 -3.284 1.00 0.00 H new ATOM 1011 N ASP A 72 6.951 -7.716 -3.233 1.00 0.00 N ATOM 1012 CA ASP A 72 6.019 -8.829 -3.300 1.00 0.00 C ATOM 1013 C ASP A 72 4.955 -8.665 -2.214 1.00 0.00 C ATOM 1014 O ASP A 72 5.099 -9.196 -1.114 1.00 0.00 O ATOM 1015 CB ASP A 72 6.735 -10.161 -3.064 1.00 0.00 C ATOM 1016 CG ASP A 72 6.131 -11.359 -3.799 1.00 0.00 C ATOM 1017 OD1 ASP A 72 5.116 -11.884 -3.291 1.00 0.00 O ATOM 1018 OD2 ASP A 72 6.697 -11.723 -4.853 1.00 0.00 O ATOM 0 H ASP A 72 7.725 -7.846 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 72 5.568 -8.832 -4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.777 -10.055 -3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.734 -10.372 -1.995 1.00 0.00 H new ATOM 1023 N PHE A 73 3.911 -7.926 -2.560 1.00 0.00 N ATOM 1024 CA PHE A 73 2.823 -7.685 -1.627 1.00 0.00 C ATOM 1025 C PHE A 73 1.705 -8.714 -1.811 1.00 0.00 C ATOM 1026 O PHE A 73 0.584 -8.507 -1.349 1.00 0.00 O ATOM 1027 CB PHE A 73 2.272 -6.291 -1.933 1.00 0.00 C ATOM 1028 CG PHE A 73 2.906 -5.175 -1.100 1.00 0.00 C ATOM 1029 CD1 PHE A 73 4.252 -4.987 -1.127 1.00 0.00 C ATOM 1030 CD2 PHE A 73 2.122 -4.370 -0.334 1.00 0.00 C ATOM 1031 CE1 PHE A 73 4.840 -3.951 -0.354 1.00 0.00 C ATOM 1032 CE2 PHE A 73 2.710 -3.334 0.439 1.00 0.00 C ATOM 1033 CZ PHE A 73 4.057 -3.146 0.413 1.00 0.00 C ATOM 0 H PHE A 73 3.795 -7.486 -3.473 1.00 0.00 H new ATOM 0 HA PHE A 73 3.187 -7.763 -0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.427 -6.074 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.195 -6.291 -1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.874 -5.626 -1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.052 -4.519 -0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.910 -3.802 -0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.087 -2.695 1.048 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.504 -2.358 1.001 1.00 0.00 H new ATOM 1043 N SER A 74 2.050 -9.800 -2.486 1.00 0.00 N ATOM 1044 CA SER A 74 1.090 -10.862 -2.736 1.00 0.00 C ATOM 1045 C SER A 74 1.107 -11.866 -1.582 1.00 0.00 C ATOM 1046 O SER A 74 0.341 -12.828 -1.581 1.00 0.00 O ATOM 1047 CB SER A 74 1.384 -11.570 -4.060 1.00 0.00 C ATOM 1048 OG SER A 74 0.281 -11.502 -4.959 1.00 0.00 O ATOM 0 H SER A 74 2.981 -9.968 -2.868 1.00 0.00 H new ATOM 0 HA SER A 74 0.098 -10.416 -2.806 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.260 -11.118 -4.526 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.629 -12.614 -3.866 1.00 0.00 H new ATOM 0 HG SER A 74 0.509 -11.964 -5.793 1.00 0.00 H new ATOM 1054 N ASN A 75 1.988 -11.607 -0.628 1.00 0.00 N ATOM 1055 CA ASN A 75 2.115 -12.476 0.530 1.00 0.00 C ATOM 1056 C ASN A 75 2.680 -11.674 1.705 1.00 0.00 C ATOM 1057 O ASN A 75 3.280 -12.241 2.616 1.00 0.00 O ATOM 1058 CB ASN A 75 3.071 -13.636 0.246 1.00 0.00 C ATOM 1059 CG ASN A 75 4.523 -13.153 0.210 1.00 0.00 C ATOM 1060 OD1 ASN A 75 4.829 -12.438 -0.868 1.00 0.00 O flip ATOM 1061 ND2 ASN A 75 5.313 -13.413 1.103 1.00 0.00 N flip ATOM 0 H ASN A 75 2.621 -10.807 -0.633 1.00 0.00 H new ATOM 0 HA ASN A 75 1.127 -12.872 0.764 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.958 -14.402 1.013 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.814 -14.099 -0.707 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.012 -13.968 1.904 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.274 -13.075 1.048 1.00 0.00 H new ATOM 1068 N LEU A 76 2.467 -10.368 1.645 1.00 0.00 N ATOM 1069 CA LEU A 76 2.948 -9.483 2.692 1.00 0.00 C ATOM 1070 C LEU A 76 2.008 -9.569 3.897 1.00 0.00 C ATOM 1071 O LEU A 76 1.161 -10.457 3.965 1.00 0.00 O ATOM 1072 CB LEU A 76 3.127 -8.062 2.153 1.00 0.00 C ATOM 1073 CG LEU A 76 4.548 -7.680 1.731 1.00 0.00 C ATOM 1074 CD1 LEU A 76 4.641 -6.186 1.413 1.00 0.00 C ATOM 1075 CD2 LEU A 76 5.567 -8.105 2.790 1.00 0.00 C ATOM 0 H LEU A 76 1.968 -9.901 0.888 1.00 0.00 H new ATOM 0 HA LEU A 76 3.935 -9.797 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.467 -7.934 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.795 -7.360 2.918 1.00 0.00 H new ATOM 0 HG LEU A 76 4.791 -8.220 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.660 -5.940 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.957 -5.944 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.371 -5.608 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.568 -7.822 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.338 -7.611 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.521 -9.186 2.926 1.00 0.00 H new ATOM 1087 N ASP A 77 2.191 -8.633 4.817 1.00 0.00 N ATOM 1088 CA ASP A 77 1.370 -8.592 6.016 1.00 0.00 C ATOM 1089 C ASP A 77 0.918 -7.153 6.269 1.00 0.00 C ATOM 1090 O ASP A 77 1.330 -6.235 5.562 1.00 0.00 O ATOM 1091 CB ASP A 77 2.159 -9.062 7.239 1.00 0.00 C ATOM 1092 CG ASP A 77 1.311 -9.380 8.472 1.00 0.00 C ATOM 1093 OD1 ASP A 77 0.632 -10.429 8.440 1.00 0.00 O ATOM 1094 OD2 ASP A 77 1.360 -8.566 9.420 1.00 0.00 O ATOM 0 H ASP A 77 2.895 -7.898 4.757 1.00 0.00 H new ATOM 0 HA ASP A 77 0.515 -9.251 5.863 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.726 -9.952 6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.883 -8.292 7.504 1.00 0.00 H new ATOM 1099 N HIS A 78 0.076 -7.001 7.281 1.00 0.00 N ATOM 1100 CA HIS A 78 -0.437 -5.689 7.637 1.00 0.00 C ATOM 1101 C HIS A 78 0.666 -4.872 8.313 1.00 0.00 C ATOM 1102 O HIS A 78 0.488 -3.686 8.584 1.00 0.00 O ATOM 1103 CB HIS A 78 -1.695 -5.813 8.499 1.00 0.00 C ATOM 1104 CG HIS A 78 -2.397 -4.500 8.754 1.00 0.00 C ATOM 1105 ND1 HIS A 78 -1.959 -3.587 9.697 1.00 0.00 N ATOM 1106 CD2 HIS A 78 -3.509 -3.957 8.179 1.00 0.00 C ATOM 1107 CE1 HIS A 78 -2.778 -2.545 9.683 1.00 0.00 C ATOM 1108 NE2 HIS A 78 -3.738 -2.777 8.742 1.00 0.00 N ATOM 0 H HIS A 78 -0.264 -7.765 7.866 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.736 -5.155 6.735 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.391 -6.497 8.012 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -1.425 -6.261 9.455 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.102 -4.410 7.398 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.699 -1.667 10.307 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -4.506 -2.147 8.509 1.00 0.00 H new ATOM 1116 N LYS A 79 1.782 -5.540 8.566 1.00 0.00 N ATOM 1117 CA LYS A 79 2.914 -4.892 9.205 1.00 0.00 C ATOM 1118 C LYS A 79 4.032 -4.698 8.178 1.00 0.00 C ATOM 1119 O LYS A 79 4.723 -3.681 8.193 1.00 0.00 O ATOM 1120 CB LYS A 79 3.349 -5.673 10.447 1.00 0.00 C ATOM 1121 CG LYS A 79 2.249 -5.667 11.511 1.00 0.00 C ATOM 1122 CD LYS A 79 2.672 -4.846 12.731 1.00 0.00 C ATOM 1123 CE LYS A 79 1.981 -5.353 13.999 1.00 0.00 C ATOM 1124 NZ LYS A 79 2.722 -4.915 15.203 1.00 0.00 N ATOM 0 H LYS A 79 1.926 -6.524 8.340 1.00 0.00 H new ATOM 0 HA LYS A 79 2.633 -3.901 9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.587 -6.700 10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.259 -5.234 10.857 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.333 -5.254 11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.027 -6.690 11.815 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.754 -4.902 12.855 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.423 -3.797 12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.958 -4.978 14.038 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.921 -6.441 13.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.240 -5.267 16.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.690 -5.293 15.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.757 -3.876 15.230 1.00 0.00 H new ATOM 1138 N GLU A 80 4.174 -5.690 7.311 1.00 0.00 N ATOM 1139 CA GLU A 80 5.196 -5.641 6.279 1.00 0.00 C ATOM 1140 C GLU A 80 4.735 -4.759 5.118 1.00 0.00 C ATOM 1141 O GLU A 80 5.540 -4.050 4.515 1.00 0.00 O ATOM 1142 CB GLU A 80 5.551 -7.048 5.793 1.00 0.00 C ATOM 1143 CG GLU A 80 6.158 -7.882 6.922 1.00 0.00 C ATOM 1144 CD GLU A 80 7.631 -8.188 6.647 1.00 0.00 C ATOM 1145 OE1 GLU A 80 8.418 -7.217 6.627 1.00 0.00 O ATOM 1146 OE2 GLU A 80 7.938 -9.385 6.463 1.00 0.00 O ATOM 0 H GLU A 80 3.599 -6.532 7.302 1.00 0.00 H new ATOM 0 HA GLU A 80 6.097 -5.202 6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.657 -7.541 5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.256 -6.983 4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.065 -7.345 7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.603 -8.814 7.029 1.00 0.00 H new ATOM 1153 N ALA A 81 3.442 -4.831 4.838 1.00 0.00 N ATOM 1154 CA ALA A 81 2.865 -4.048 3.759 1.00 0.00 C ATOM 1155 C ALA A 81 2.808 -2.577 4.176 1.00 0.00 C ATOM 1156 O ALA A 81 2.876 -1.685 3.332 1.00 0.00 O ATOM 1157 CB ALA A 81 1.486 -4.606 3.403 1.00 0.00 C ATOM 0 H ALA A 81 2.777 -5.420 5.340 1.00 0.00 H new ATOM 0 HA ALA A 81 3.484 -4.114 2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.054 -4.018 2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.584 -5.644 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.836 -4.554 4.276 1.00 0.00 H new ATOM 1163 N VAL A 82 2.684 -2.369 5.479 1.00 0.00 N ATOM 1164 CA VAL A 82 2.618 -1.021 6.018 1.00 0.00 C ATOM 1165 C VAL A 82 4.032 -0.449 6.126 1.00 0.00 C ATOM 1166 O VAL A 82 4.273 0.697 5.749 1.00 0.00 O ATOM 1167 CB VAL A 82 1.872 -1.029 7.355 1.00 0.00 C ATOM 1168 CG1 VAL A 82 2.155 0.248 8.148 1.00 0.00 C ATOM 1169 CG2 VAL A 82 0.369 -1.222 7.143 1.00 0.00 C ATOM 0 H VAL A 82 2.628 -3.111 6.177 1.00 0.00 H new ATOM 0 HA VAL A 82 2.055 -0.369 5.350 1.00 0.00 H new ATOM 0 HB VAL A 82 2.239 -1.873 7.939 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.613 0.217 9.093 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.224 0.324 8.345 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.829 1.114 7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.137 -1.224 8.108 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.020 -0.408 6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.192 -2.172 6.638 1.00 0.00 H new ATOM 1179 N ASN A 83 4.932 -1.274 6.643 1.00 0.00 N ATOM 1180 CA ASN A 83 6.317 -0.864 6.805 1.00 0.00 C ATOM 1181 C ASN A 83 6.901 -0.504 5.438 1.00 0.00 C ATOM 1182 O ASN A 83 7.556 0.527 5.290 1.00 0.00 O ATOM 1183 CB ASN A 83 7.160 -1.995 7.397 1.00 0.00 C ATOM 1184 CG ASN A 83 8.577 -1.514 7.714 1.00 0.00 C ATOM 1185 OD1 ASN A 83 8.797 -0.664 8.561 1.00 0.00 O ATOM 1186 ND2 ASN A 83 9.523 -2.104 6.989 1.00 0.00 N ATOM 0 H ASN A 83 4.729 -2.224 6.955 1.00 0.00 H new ATOM 0 HA ASN A 83 6.339 -0.007 7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.687 -2.369 8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.203 -2.827 6.694 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.502 -1.852 7.126 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.270 -2.808 6.296 1.00 0.00 H new ATOM 1193 N VAL A 84 6.643 -1.374 4.472 1.00 0.00 N ATOM 1194 CA VAL A 84 7.136 -1.161 3.122 1.00 0.00 C ATOM 1195 C VAL A 84 6.434 0.055 2.514 1.00 0.00 C ATOM 1196 O VAL A 84 7.035 0.801 1.741 1.00 0.00 O ATOM 1197 CB VAL A 84 6.954 -2.433 2.291 1.00 0.00 C ATOM 1198 CG1 VAL A 84 7.262 -2.173 0.815 1.00 0.00 C ATOM 1199 CG2 VAL A 84 7.815 -3.573 2.839 1.00 0.00 C ATOM 0 H VAL A 84 6.099 -2.228 4.598 1.00 0.00 H new ATOM 0 HA VAL A 84 8.205 -0.948 3.135 1.00 0.00 H new ATOM 0 HB VAL A 84 5.910 -2.736 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.125 -3.093 0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.588 -1.407 0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.293 -1.834 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.667 -4.465 2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.865 -3.283 2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.527 -3.784 3.869 1.00 0.00 H new ATOM 1209 N LEU A 85 5.173 0.218 2.886 1.00 0.00 N ATOM 1210 CA LEU A 85 4.384 1.331 2.387 1.00 0.00 C ATOM 1211 C LEU A 85 4.854 2.625 3.055 1.00 0.00 C ATOM 1212 O LEU A 85 4.854 3.685 2.432 1.00 0.00 O ATOM 1213 CB LEU A 85 2.890 1.053 2.569 1.00 0.00 C ATOM 1214 CG LEU A 85 2.237 0.172 1.502 1.00 0.00 C ATOM 1215 CD1 LEU A 85 0.857 -0.307 1.956 1.00 0.00 C ATOM 1216 CD2 LEU A 85 2.177 0.896 0.155 1.00 0.00 C ATOM 0 H LEU A 85 4.678 -0.402 3.527 1.00 0.00 H new ATOM 0 HA LEU A 85 4.534 1.453 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.744 0.581 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.364 2.007 2.596 1.00 0.00 H new ATOM 0 HG LEU A 85 2.857 -0.714 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.415 -0.931 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.957 -0.886 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.215 0.555 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.709 0.248 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.592 1.810 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.187 1.146 -0.169 1.00 0.00 H new ATOM 1228 N LYS A 86 5.244 2.495 4.315 1.00 0.00 N ATOM 1229 CA LYS A 86 5.716 3.640 5.074 1.00 0.00 C ATOM 1230 C LYS A 86 7.231 3.768 4.907 1.00 0.00 C ATOM 1231 O LYS A 86 7.837 4.713 5.409 1.00 0.00 O ATOM 1232 CB LYS A 86 5.265 3.538 6.532 1.00 0.00 C ATOM 1233 CG LYS A 86 6.335 2.862 7.392 1.00 0.00 C ATOM 1234 CD LYS A 86 5.852 2.689 8.833 1.00 0.00 C ATOM 1235 CE LYS A 86 4.862 1.529 8.944 1.00 0.00 C ATOM 1236 NZ LYS A 86 5.379 0.492 9.864 1.00 0.00 N ATOM 0 H LYS A 86 5.243 1.614 4.829 1.00 0.00 H new ATOM 0 HA LYS A 86 5.274 4.560 4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.056 4.534 6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.336 2.971 6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.585 1.889 6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.247 3.459 7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.705 2.507 9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.379 3.610 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.901 1.897 9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.689 1.096 7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.793 -0.364 9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.362 0.263 9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.346 0.847 10.841 1.00 0.00 H new ATOM 1250 N SER A 87 7.800 2.803 4.199 1.00 0.00 N ATOM 1251 CA SER A 87 9.233 2.796 3.959 1.00 0.00 C ATOM 1252 C SER A 87 9.656 4.101 3.280 1.00 0.00 C ATOM 1253 O SER A 87 10.385 4.901 3.864 1.00 0.00 O ATOM 1254 CB SER A 87 9.643 1.596 3.104 1.00 0.00 C ATOM 1255 OG SER A 87 11.052 1.541 2.900 1.00 0.00 O ATOM 0 H SER A 87 7.294 2.021 3.784 1.00 0.00 H new ATOM 0 HA SER A 87 9.740 2.712 4.920 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.311 0.677 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.139 1.650 2.139 1.00 0.00 H new ATOM 0 HG SER A 87 11.273 0.760 2.351 1.00 0.00 H new ATOM 1261 N SER A 88 9.181 4.274 2.055 1.00 0.00 N ATOM 1262 CA SER A 88 9.501 5.467 1.290 1.00 0.00 C ATOM 1263 C SER A 88 8.226 6.265 1.008 1.00 0.00 C ATOM 1264 O SER A 88 7.122 5.795 1.278 1.00 0.00 O ATOM 1265 CB SER A 88 10.204 5.110 -0.020 1.00 0.00 C ATOM 1266 OG SER A 88 11.255 6.021 -0.328 1.00 0.00 O ATOM 0 H SER A 88 8.577 3.608 1.574 1.00 0.00 H new ATOM 0 HA SER A 88 10.183 6.079 1.881 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.608 4.100 0.049 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.477 5.107 -0.832 1.00 0.00 H new ATOM 0 HG SER A 88 11.680 5.757 -1.171 1.00 0.00 H new ATOM 1272 N ARG A 89 8.421 7.460 0.468 1.00 0.00 N ATOM 1273 CA ARG A 89 7.301 8.327 0.146 1.00 0.00 C ATOM 1274 C ARG A 89 6.639 7.878 -1.158 1.00 0.00 C ATOM 1275 O ARG A 89 5.460 7.528 -1.172 1.00 0.00 O ATOM 1276 CB ARG A 89 7.754 9.782 0.006 1.00 0.00 C ATOM 1277 CG ARG A 89 8.456 10.263 1.277 1.00 0.00 C ATOM 1278 CD ARG A 89 7.477 10.335 2.451 1.00 0.00 C ATOM 1279 NE ARG A 89 7.538 9.083 3.238 1.00 0.00 N ATOM 1280 CZ ARG A 89 6.911 8.901 4.409 1.00 0.00 C ATOM 1281 NH1 ARG A 89 6.173 9.888 4.934 1.00 0.00 N ATOM 1282 NH2 ARG A 89 7.023 7.732 5.054 1.00 0.00 N ATOM 0 H ARG A 89 9.338 7.847 0.246 1.00 0.00 H new ATOM 0 HA ARG A 89 6.583 8.259 0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.429 9.876 -0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.892 10.417 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.275 9.587 1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.895 11.246 1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.721 11.186 3.087 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.464 10.493 2.081 1.00 0.00 H new ATOM 0 HE ARG A 89 8.091 8.311 2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.088 10.778 4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.696 9.750 5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.585 6.981 4.654 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.546 7.593 5.945 1.00 0.00 H new ATOM 1296 N SER A 90 7.427 7.903 -2.223 1.00 0.00 N ATOM 1297 CA SER A 90 6.933 7.503 -3.529 1.00 0.00 C ATOM 1298 C SER A 90 7.087 5.991 -3.707 1.00 0.00 C ATOM 1299 O SER A 90 8.190 5.458 -3.592 1.00 0.00 O ATOM 1300 CB SER A 90 7.666 8.246 -4.648 1.00 0.00 C ATOM 1301 OG SER A 90 9.072 8.303 -4.418 1.00 0.00 O ATOM 0 H SER A 90 8.404 8.194 -2.208 1.00 0.00 H new ATOM 0 HA SER A 90 5.876 7.764 -3.588 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.474 7.750 -5.599 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.271 9.258 -4.731 1.00 0.00 H new ATOM 0 HG SER A 90 9.381 7.443 -4.064 1.00 0.00 H new ATOM 1307 N LEU A 91 5.965 5.342 -3.984 1.00 0.00 N ATOM 1308 CA LEU A 91 5.962 3.902 -4.178 1.00 0.00 C ATOM 1309 C LEU A 91 5.010 3.549 -5.322 1.00 0.00 C ATOM 1310 O LEU A 91 3.975 4.192 -5.495 1.00 0.00 O ATOM 1311 CB LEU A 91 5.639 3.185 -2.865 1.00 0.00 C ATOM 1312 CG LEU A 91 6.570 3.489 -1.689 1.00 0.00 C ATOM 1313 CD1 LEU A 91 5.778 3.991 -0.480 1.00 0.00 C ATOM 1314 CD2 LEU A 91 7.433 2.274 -1.345 1.00 0.00 C ATOM 0 H LEU A 91 5.052 5.787 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 91 6.953 3.554 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.621 3.444 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.655 2.110 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 91 7.247 4.290 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.463 4.200 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.244 4.903 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.063 3.229 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.085 2.517 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.790 1.436 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.039 2.002 -2.209 1.00 0.00 H new ATOM 1326 N THR A 92 5.393 2.527 -6.074 1.00 0.00 N ATOM 1327 CA THR A 92 4.586 2.080 -7.196 1.00 0.00 C ATOM 1328 C THR A 92 3.778 0.839 -6.812 1.00 0.00 C ATOM 1329 O THR A 92 4.312 -0.268 -6.779 1.00 0.00 O ATOM 1330 CB THR A 92 5.518 1.853 -8.388 1.00 0.00 C ATOM 1331 OG1 THR A 92 5.864 3.168 -8.814 1.00 0.00 O ATOM 1332 CG2 THR A 92 4.793 1.249 -9.592 1.00 0.00 C ATOM 0 H THR A 92 6.252 1.996 -5.928 1.00 0.00 H new ATOM 0 HA THR A 92 3.850 2.833 -7.478 1.00 0.00 H new ATOM 0 HB THR A 92 6.335 1.196 -8.090 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.139 3.787 -8.586 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.500 1.109 -10.410 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.365 0.286 -9.313 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.997 1.921 -9.912 1.00 0.00 H new ATOM 1340 N ILE A 93 2.503 1.066 -6.531 1.00 0.00 N ATOM 1341 CA ILE A 93 1.616 -0.019 -6.149 1.00 0.00 C ATOM 1342 C ILE A 93 0.971 -0.610 -7.405 1.00 0.00 C ATOM 1343 O ILE A 93 0.516 0.127 -8.278 1.00 0.00 O ATOM 1344 CB ILE A 93 0.605 0.457 -5.105 1.00 0.00 C ATOM 1345 CG1 ILE A 93 1.313 1.074 -3.897 1.00 0.00 C ATOM 1346 CG2 ILE A 93 -0.339 -0.677 -4.698 1.00 0.00 C ATOM 1347 CD1 ILE A 93 0.447 2.153 -3.245 1.00 0.00 C ATOM 0 H ILE A 93 2.063 1.986 -6.560 1.00 0.00 H new ATOM 0 HA ILE A 93 2.179 -0.821 -5.671 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.006 1.239 -5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.541 0.296 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.264 1.506 -4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.048 -0.311 -3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.882 -1.030 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.240 -1.498 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.974 2.575 -2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.241 2.941 -3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.493 1.713 -2.911 1.00 0.00 H new ATOM 1359 N SER A 94 0.952 -1.934 -7.455 1.00 0.00 N ATOM 1360 CA SER A 94 0.371 -2.631 -8.589 1.00 0.00 C ATOM 1361 C SER A 94 -0.870 -3.408 -8.145 1.00 0.00 C ATOM 1362 O SER A 94 -0.758 -4.489 -7.570 1.00 0.00 O ATOM 1363 CB SER A 94 1.386 -3.577 -9.234 1.00 0.00 C ATOM 1364 OG SER A 94 1.690 -3.201 -10.575 1.00 0.00 O ATOM 0 H SER A 94 1.330 -2.542 -6.728 1.00 0.00 H new ATOM 0 HA SER A 94 0.082 -1.890 -9.334 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.302 -3.584 -8.643 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.992 -4.593 -9.223 1.00 0.00 H new ATOM 0 HG SER A 94 2.342 -3.828 -10.951 1.00 0.00 H new ATOM 1370 N ILE A 95 -2.026 -2.826 -8.430 1.00 0.00 N ATOM 1371 CA ILE A 95 -3.287 -3.450 -8.067 1.00 0.00 C ATOM 1372 C ILE A 95 -3.884 -4.137 -9.298 1.00 0.00 C ATOM 1373 O ILE A 95 -3.431 -3.912 -10.419 1.00 0.00 O ATOM 1374 CB ILE A 95 -4.224 -2.429 -7.418 1.00 0.00 C ATOM 1375 CG1 ILE A 95 -4.391 -1.195 -8.308 1.00 0.00 C ATOM 1376 CG2 ILE A 95 -3.744 -2.061 -6.013 1.00 0.00 C ATOM 1377 CD1 ILE A 95 -5.869 -0.849 -8.492 1.00 0.00 C ATOM 0 H ILE A 95 -2.116 -1.929 -8.908 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.127 -4.223 -7.316 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.208 -2.886 -7.313 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.868 -0.348 -7.864 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.933 -1.378 -9.280 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.427 -1.334 -5.574 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.718 -2.956 -5.391 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.744 -1.630 -6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.960 0.031 -9.128 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.384 -1.689 -8.959 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.318 -0.643 -7.520 1.00 0.00 H new ATOM 1389 N VAL A 96 -4.892 -4.960 -9.046 1.00 0.00 N ATOM 1390 CA VAL A 96 -5.555 -5.681 -10.119 1.00 0.00 C ATOM 1391 C VAL A 96 -6.959 -5.107 -10.321 1.00 0.00 C ATOM 1392 O VAL A 96 -7.888 -5.836 -10.666 1.00 0.00 O ATOM 1393 CB VAL A 96 -5.560 -7.181 -9.817 1.00 0.00 C ATOM 1394 CG1 VAL A 96 -6.365 -7.949 -10.868 1.00 0.00 C ATOM 1395 CG2 VAL A 96 -4.133 -7.724 -9.714 1.00 0.00 C ATOM 0 H VAL A 96 -5.265 -5.143 -8.115 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.013 -5.554 -11.056 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.044 -7.327 -8.852 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.353 -9.013 -10.630 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.394 -7.590 -10.872 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.922 -7.792 -11.852 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.165 -8.792 -9.499 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.612 -7.559 -10.657 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.604 -7.208 -8.913 1.00 0.00 H new ATOM 1405 N ALA A 97 -7.070 -3.806 -10.098 1.00 0.00 N ATOM 1406 CA ALA A 97 -8.345 -3.126 -10.251 1.00 0.00 C ATOM 1407 C ALA A 97 -9.447 -3.967 -9.604 1.00 0.00 C ATOM 1408 O ALA A 97 -10.004 -4.861 -10.238 1.00 0.00 O ATOM 1409 CB ALA A 97 -8.608 -2.862 -11.735 1.00 0.00 C ATOM 0 H ALA A 97 -6.297 -3.204 -9.812 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.328 -2.160 -9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.564 -2.352 -11.850 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.812 -2.237 -12.140 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.635 -3.809 -12.274 1.00 0.00 H new ATOM 1415 N ALA A 98 -9.729 -3.649 -8.349 1.00 0.00 N ATOM 1416 CA ALA A 98 -10.755 -4.364 -7.609 1.00 0.00 C ATOM 1417 C ALA A 98 -10.537 -5.870 -7.768 1.00 0.00 C ATOM 1418 O ALA A 98 -11.422 -6.584 -8.237 1.00 0.00 O ATOM 1419 CB ALA A 98 -12.137 -3.922 -8.094 1.00 0.00 C ATOM 0 H ALA A 98 -9.265 -2.906 -7.826 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.692 -4.132 -6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.906 -4.459 -7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.254 -2.850 -7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.237 -4.142 -9.157 1.00 0.00 H new ATOM 1425 N ALA A 99 -9.352 -6.310 -7.368 1.00 0.00 N ATOM 1426 CA ALA A 99 -9.006 -7.718 -7.460 1.00 0.00 C ATOM 1427 C ALA A 99 -9.957 -8.531 -6.579 1.00 0.00 C ATOM 1428 O ALA A 99 -10.722 -9.354 -7.080 1.00 0.00 O ATOM 1429 CB ALA A 99 -7.540 -7.910 -7.067 1.00 0.00 C ATOM 0 H ALA A 99 -8.620 -5.716 -6.979 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.119 -8.075 -8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.280 -8.966 -7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.904 -7.335 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.389 -7.565 -6.044 1.00 0.00 H new ATOM 1435 N GLY A 100 -9.878 -8.272 -5.282 1.00 0.00 N ATOM 1436 CA GLY A 100 -10.722 -8.970 -4.327 1.00 0.00 C ATOM 1437 C GLY A 100 -11.820 -8.049 -3.791 1.00 0.00 C ATOM 1438 O GLY A 100 -11.907 -7.818 -2.586 1.00 0.00 O ATOM 0 H GLY A 100 -9.243 -7.589 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.173 -9.841 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.115 -9.338 -3.500 1.00 0.00 H new ATOM 1442 N ARG A 101 -12.631 -7.549 -4.712 1.00 0.00 N ATOM 1443 CA ARG A 101 -13.719 -6.659 -4.346 1.00 0.00 C ATOM 1444 C ARG A 101 -14.829 -7.439 -3.638 1.00 0.00 C ATOM 1445 O ARG A 101 -15.628 -6.861 -2.904 1.00 0.00 O ATOM 1446 CB ARG A 101 -14.301 -5.965 -5.580 1.00 0.00 C ATOM 1447 CG ARG A 101 -14.130 -4.447 -5.487 1.00 0.00 C ATOM 1448 CD ARG A 101 -15.287 -3.722 -6.176 1.00 0.00 C ATOM 1449 NE ARG A 101 -14.843 -2.388 -6.641 1.00 0.00 N ATOM 1450 CZ ARG A 101 -15.628 -1.521 -7.294 1.00 0.00 C ATOM 1451 NH1 ARG A 101 -16.901 -1.841 -7.563 1.00 0.00 N ATOM 1452 NH2 ARG A 101 -15.140 -0.333 -7.678 1.00 0.00 N ATOM 0 H ARG A 101 -12.556 -7.743 -5.710 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.316 -5.903 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.806 -6.336 -6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -15.359 -6.210 -5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.080 -4.147 -4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.187 -4.155 -5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -15.644 -4.311 -7.021 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -16.123 -3.616 -5.485 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.879 -2.112 -6.452 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -17.272 -2.745 -7.271 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -17.499 -1.181 -8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.171 -0.089 -7.473 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.738 0.327 -8.175 1.00 0.00 H new ATOM 1466 N GLU A 102 -14.841 -8.741 -3.883 1.00 0.00 N ATOM 1467 CA GLU A 102 -15.839 -9.607 -3.278 1.00 0.00 C ATOM 1468 C GLU A 102 -15.505 -9.853 -1.805 1.00 0.00 C ATOM 1469 O GLU A 102 -16.365 -10.273 -1.032 1.00 0.00 O ATOM 1470 CB GLU A 102 -15.955 -10.928 -4.042 1.00 0.00 C ATOM 1471 CG GLU A 102 -14.794 -11.863 -3.698 1.00 0.00 C ATOM 1472 CD GLU A 102 -14.101 -12.366 -4.967 1.00 0.00 C ATOM 1473 OE1 GLU A 102 -14.775 -13.086 -5.734 1.00 0.00 O ATOM 1474 OE2 GLU A 102 -12.913 -12.018 -5.140 1.00 0.00 O ATOM 0 H GLU A 102 -14.176 -9.217 -4.492 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.806 -9.108 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.901 -11.412 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -15.964 -10.733 -5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -14.074 -11.339 -3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.164 -12.711 -3.121 1.00 0.00 H new ATOM 1481 N LEU A 103 -14.255 -9.580 -1.461 1.00 0.00 N ATOM 1482 CA LEU A 103 -13.797 -9.767 -0.095 1.00 0.00 C ATOM 1483 C LEU A 103 -14.508 -8.765 0.818 1.00 0.00 C ATOM 1484 O LEU A 103 -14.485 -8.907 2.039 1.00 0.00 O ATOM 1485 CB LEU A 103 -12.271 -9.686 -0.025 1.00 0.00 C ATOM 1486 CG LEU A 103 -11.513 -10.948 -0.445 1.00 0.00 C ATOM 1487 CD1 LEU A 103 -10.001 -10.727 -0.376 1.00 0.00 C ATOM 1488 CD2 LEU A 103 -11.955 -12.154 0.386 1.00 0.00 C ATOM 0 H LEU A 103 -13.545 -9.231 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 103 -14.057 -10.764 0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.941 -8.861 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.986 -9.438 0.998 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.759 -11.165 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.486 -11.638 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.721 -9.913 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.717 -10.472 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.402 -13.038 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.757 -11.962 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.022 -12.323 0.243 1.00 0.00 H new ATOM 1500 N PHE A 104 -15.123 -7.773 0.189 1.00 0.00 N ATOM 1501 CA PHE A 104 -15.838 -6.748 0.929 1.00 0.00 C ATOM 1502 C PHE A 104 -17.290 -6.642 0.456 1.00 0.00 C ATOM 1503 O PHE A 104 -18.214 -6.661 1.267 1.00 0.00 O ATOM 1504 CB PHE A 104 -15.128 -5.421 0.657 1.00 0.00 C ATOM 1505 CG PHE A 104 -13.638 -5.430 1.005 1.00 0.00 C ATOM 1506 CD1 PHE A 104 -13.239 -5.231 2.290 1.00 0.00 C ATOM 1507 CD2 PHE A 104 -12.713 -5.636 0.030 1.00 0.00 C ATOM 1508 CE1 PHE A 104 -11.856 -5.239 2.613 1.00 0.00 C ATOM 1509 CE2 PHE A 104 -11.330 -5.645 0.353 1.00 0.00 C ATOM 1510 CZ PHE A 104 -10.931 -5.446 1.638 1.00 0.00 C ATOM 0 H PHE A 104 -15.140 -7.658 -0.824 1.00 0.00 H new ATOM 0 HA PHE A 104 -15.847 -6.994 1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -15.243 -5.169 -0.397 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -15.619 -4.634 1.229 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.974 -5.067 3.064 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.030 -5.793 -0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.539 -5.081 3.633 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.595 -5.810 -0.421 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.879 -5.452 1.884 1.00 0.00 H new