USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 600 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 52 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 70 THR OG1 : rot -34:sc= 0.801 USER MOD Set 2.1: A 50 THR OG1 : rot 129:sc= -0.0861 USER MOD Set 2.2: A 54 ASN :FLIP amide:sc= -2.78! C(o=-3.5!,f=-2.9!) USER MOD Set 3.1: A 33 LYS NZ :NH3+ 169:sc= 1.29 (180deg=0.00991) USER MOD Set 3.2: A 63 THR OG1 : rot -31:sc= 1.65 USER MOD Set 4.1: A 18 TYR OH : rot 180:sc= 1.07 USER MOD Set 4.2: A 71 LYS NZ :NH3+ -103:sc= 1.3 (180deg=-0.12) USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= 1.22 (180deg=0.775) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0965 USER MOD Single : A 15 SER OG : rot 48:sc= 0.0598 USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 2.26 (180deg=1.83) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= -0.0125 (180deg=-0.177) USER MOD Single : A 19 ASN : amide:sc= 0.319 K(o=0.32,f=-4.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -74:sc= 0.45 USER MOD Single : A 26 ASN : amide:sc= 0.715 K(o=0.72,f=-9.2!) USER MOD Single : A 27 LYS NZ :NH3+ 142:sc= 1.18 (180deg=0.917) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 82:sc= 1.2 USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 42 SER OG : rot 69:sc= 1.36 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -166:sc=-0.00395 (180deg=-0.152) USER MOD Single : A 57 CYS SG : rot 150:sc= -2.86! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.758! C(o=-0.76!,f=-12!) USER MOD Single : A 61 MET CE :methyl 173:sc= -0.978 (180deg=-1.15) USER MOD Single : A 62 ASN : amide:sc= -0.122 K(o=-0.12,f=-2.5!) USER MOD Single : A 69 CYS SG : rot 59:sc= 0.306 USER MOD Single : A 72 ASN :FLIP amide:sc= -3.89! C(o=-6!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -19.888 -2.192 5.494 1.00 0.00 N ATOM 39 CA LYS A 3 -18.691 -1.372 5.387 1.00 0.00 C ATOM 40 C LYS A 3 -17.476 -2.186 5.825 1.00 0.00 C ATOM 41 O LYS A 3 -17.328 -2.501 7.005 1.00 0.00 O ATOM 42 CB LYS A 3 -18.825 -0.133 6.277 1.00 0.00 C ATOM 43 CG LYS A 3 -19.674 0.982 5.690 1.00 0.00 C ATOM 44 CD LYS A 3 -18.866 1.855 4.739 1.00 0.00 C ATOM 45 CE LYS A 3 -19.603 3.143 4.410 1.00 0.00 C ATOM 46 NZ LYS A 3 -18.757 4.092 3.635 1.00 0.00 N ATOM 0 HA LYS A 3 -18.565 -1.056 4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -19.255 -0.434 7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.829 0.258 6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -20.524 0.553 5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.078 1.596 6.495 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.901 2.090 5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.663 1.305 3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.502 2.910 3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.928 3.620 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.344 4.877 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.005 4.467 4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.330 3.596 2.827 1.00 0.00 H new ATOM 60 N ASP A 4 -16.620 -2.531 4.879 1.00 0.00 N ATOM 61 CA ASP A 4 -15.451 -3.348 5.178 1.00 0.00 C ATOM 62 C ASP A 4 -14.171 -2.590 4.857 1.00 0.00 C ATOM 63 O ASP A 4 -14.095 -1.873 3.861 1.00 0.00 O ATOM 64 CB ASP A 4 -15.494 -4.666 4.395 1.00 0.00 C ATOM 65 CG ASP A 4 -16.532 -5.639 4.927 1.00 0.00 C ATOM 66 OD1 ASP A 4 -17.725 -5.501 4.581 1.00 0.00 O ATOM 67 OD2 ASP A 4 -16.158 -6.564 5.686 1.00 0.00 O ATOM 0 H ASP A 4 -16.710 -2.261 3.900 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.463 -3.577 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -15.707 -4.453 3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.511 -5.136 4.431 1.00 0.00 H new ATOM 72 N ILE A 5 -13.174 -2.732 5.720 1.00 0.00 N ATOM 73 CA ILE A 5 -11.876 -2.101 5.514 1.00 0.00 C ATOM 74 C ILE A 5 -11.192 -2.673 4.276 1.00 0.00 C ATOM 75 O ILE A 5 -10.961 -3.880 4.185 1.00 0.00 O ATOM 76 CB ILE A 5 -10.953 -2.294 6.743 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.491 -1.521 7.953 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.526 -1.858 6.426 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.461 -0.016 7.779 1.00 0.00 C ATOM 0 H ILE A 5 -13.240 -3.283 6.576 1.00 0.00 H new ATOM 0 HA ILE A 5 -12.052 -1.035 5.373 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.940 -3.356 6.989 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.517 -1.835 8.146 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.905 -1.788 8.833 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.898 -2.003 7.305 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.138 -2.454 5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.521 -0.804 6.147 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.857 0.462 8.675 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.434 0.311 7.617 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.071 0.263 6.920 1.00 0.00 H new ATOM 91 N PHE A 6 -10.874 -1.802 3.331 1.00 0.00 N ATOM 92 CA PHE A 6 -10.172 -2.208 2.126 1.00 0.00 C ATOM 93 C PHE A 6 -8.703 -2.451 2.446 1.00 0.00 C ATOM 94 O PHE A 6 -7.931 -1.508 2.628 1.00 0.00 O ATOM 95 CB PHE A 6 -10.319 -1.137 1.037 1.00 0.00 C ATOM 96 CG PHE A 6 -9.667 -1.492 -0.273 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.290 -2.358 -1.159 1.00 0.00 C ATOM 98 CD2 PHE A 6 -8.435 -0.959 -0.619 1.00 0.00 C ATOM 99 CE1 PHE A 6 -9.695 -2.685 -2.364 1.00 0.00 C ATOM 100 CE2 PHE A 6 -7.837 -1.283 -1.823 1.00 0.00 C ATOM 101 CZ PHE A 6 -8.468 -2.146 -2.695 1.00 0.00 C ATOM 0 H PHE A 6 -11.092 -0.807 3.377 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.608 -3.134 1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.380 -0.955 0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.890 -0.203 1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.250 -2.782 -0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -7.936 -0.283 0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.190 -3.361 -3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -6.877 -0.861 -2.080 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.002 -2.400 -3.636 1.00 0.00 H new ATOM 111 N THR A 7 -8.342 -3.716 2.568 1.00 0.00 N ATOM 112 CA THR A 7 -6.966 -4.106 2.812 1.00 0.00 C ATOM 113 C THR A 7 -6.527 -5.110 1.749 1.00 0.00 C ATOM 114 O THR A 7 -7.215 -6.102 1.496 1.00 0.00 O ATOM 115 CB THR A 7 -6.789 -4.696 4.236 1.00 0.00 C ATOM 116 OG1 THR A 7 -5.457 -5.189 4.418 1.00 0.00 O ATOM 117 CG2 THR A 7 -7.788 -5.813 4.507 1.00 0.00 C ATOM 0 H THR A 7 -8.992 -4.499 2.501 1.00 0.00 H new ATOM 0 HA THR A 7 -6.335 -3.219 2.750 1.00 0.00 H new ATOM 0 HB THR A 7 -6.974 -3.889 4.945 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.364 -5.555 5.322 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.634 -6.202 5.513 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.802 -5.423 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.643 -6.614 3.782 1.00 0.00 H new ATOM 125 N SER A 8 -5.409 -4.836 1.100 1.00 0.00 N ATOM 126 CA SER A 8 -4.954 -5.659 -0.013 1.00 0.00 C ATOM 127 C SER A 8 -3.442 -5.562 -0.176 1.00 0.00 C ATOM 128 O SER A 8 -2.790 -4.760 0.486 1.00 0.00 O ATOM 129 CB SER A 8 -5.647 -5.220 -1.306 1.00 0.00 C ATOM 130 OG SER A 8 -7.056 -5.344 -1.199 1.00 0.00 O ATOM 0 H SER A 8 -4.798 -4.050 1.323 1.00 0.00 H new ATOM 0 HA SER A 8 -5.212 -6.697 0.200 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.386 -4.185 -1.529 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.288 -5.826 -2.138 1.00 0.00 H new ATOM 0 HG SER A 8 -7.474 -5.056 -2.037 1.00 0.00 H new ATOM 136 N VAL A 9 -2.893 -6.390 -1.051 1.00 0.00 N ATOM 137 CA VAL A 9 -1.473 -6.344 -1.358 1.00 0.00 C ATOM 138 C VAL A 9 -1.283 -5.886 -2.800 1.00 0.00 C ATOM 139 O VAL A 9 -1.735 -6.553 -3.731 1.00 0.00 O ATOM 140 CB VAL A 9 -0.806 -7.724 -1.162 1.00 0.00 C ATOM 141 CG1 VAL A 9 0.690 -7.644 -1.419 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.078 -8.262 0.235 1.00 0.00 C ATOM 0 H VAL A 9 -3.412 -7.104 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.999 -5.641 -0.673 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.241 -8.413 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.137 -8.628 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.866 -7.312 -2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.141 -6.935 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.599 -9.234 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.677 -7.570 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.153 -8.368 0.381 1.00 0.00 H new ATOM 152 N VAL A 10 -0.637 -4.747 -2.982 1.00 0.00 N ATOM 153 CA VAL A 10 -0.470 -4.172 -4.309 1.00 0.00 C ATOM 154 C VAL A 10 0.966 -4.359 -4.801 1.00 0.00 C ATOM 155 O VAL A 10 1.888 -4.551 -4.001 1.00 0.00 O ATOM 156 CB VAL A 10 -0.876 -2.673 -4.325 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.021 -1.839 -3.424 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.888 -2.114 -5.742 1.00 0.00 C ATOM 0 H VAL A 10 -0.219 -4.201 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.134 -4.701 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.891 -2.613 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.294 -0.796 -3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.052 -2.204 -2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.053 -1.919 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.176 -1.063 -5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.107 -2.207 -6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.603 -2.672 -6.347 1.00 0.00 H new ATOM 168 N ARG A 11 1.141 -4.331 -6.117 1.00 0.00 N ATOM 169 CA ARG A 11 2.436 -4.564 -6.735 1.00 0.00 C ATOM 170 C ARG A 11 3.361 -3.368 -6.523 1.00 0.00 C ATOM 171 O ARG A 11 3.225 -2.339 -7.188 1.00 0.00 O ATOM 172 CB ARG A 11 2.263 -4.822 -8.233 1.00 0.00 C ATOM 173 CG ARG A 11 3.527 -5.301 -8.927 1.00 0.00 C ATOM 174 CD ARG A 11 3.849 -6.737 -8.557 1.00 0.00 C ATOM 175 NE ARG A 11 5.084 -7.206 -9.185 1.00 0.00 N ATOM 176 CZ ARG A 11 5.128 -8.118 -10.159 1.00 0.00 C ATOM 177 NH1 ARG A 11 4.005 -8.670 -10.607 1.00 0.00 N ATOM 178 NH2 ARG A 11 6.294 -8.484 -10.680 1.00 0.00 N ATOM 0 H ARG A 11 0.390 -4.146 -6.782 1.00 0.00 H new ATOM 0 HA ARG A 11 2.886 -5.439 -6.266 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.479 -5.565 -8.375 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.923 -3.904 -8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.404 -5.220 -10.007 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.362 -4.656 -8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.940 -6.820 -7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.023 -7.382 -8.857 1.00 0.00 H new ATOM 0 HE ARG A 11 5.966 -6.812 -8.859 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.107 -8.397 -10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.041 -9.367 -11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.159 -8.068 -10.336 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.324 -9.181 -11.424 1.00 0.00 H new ATOM 192 N VAL A 12 4.293 -3.506 -5.593 1.00 0.00 N ATOM 193 CA VAL A 12 5.264 -2.456 -5.332 1.00 0.00 C ATOM 194 C VAL A 12 6.441 -2.589 -6.299 1.00 0.00 C ATOM 195 O VAL A 12 6.950 -3.690 -6.535 1.00 0.00 O ATOM 196 CB VAL A 12 5.760 -2.490 -3.862 1.00 0.00 C ATOM 197 CG1 VAL A 12 6.445 -3.801 -3.534 1.00 0.00 C ATOM 198 CG2 VAL A 12 6.695 -1.335 -3.570 1.00 0.00 C ATOM 0 H VAL A 12 4.397 -4.334 -5.007 1.00 0.00 H new ATOM 0 HA VAL A 12 4.776 -1.494 -5.489 1.00 0.00 H new ATOM 0 HB VAL A 12 4.878 -2.395 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.779 -3.788 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.745 -4.624 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.305 -3.936 -4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.025 -1.387 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.561 -1.392 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.173 -0.393 -3.738 1.00 0.00 H new ATOM 208 N ARG A 13 6.857 -1.476 -6.879 1.00 0.00 N ATOM 209 CA ARG A 13 7.946 -1.481 -7.849 1.00 0.00 C ATOM 210 C ARG A 13 9.026 -0.485 -7.452 1.00 0.00 C ATOM 211 O ARG A 13 8.934 0.148 -6.405 1.00 0.00 O ATOM 212 CB ARG A 13 7.408 -1.182 -9.250 1.00 0.00 C ATOM 213 CG ARG A 13 6.655 -2.355 -9.859 1.00 0.00 C ATOM 214 CD ARG A 13 5.846 -1.944 -11.077 1.00 0.00 C ATOM 215 NE ARG A 13 6.671 -1.375 -12.143 1.00 0.00 N ATOM 216 CZ ARG A 13 6.175 -0.959 -13.308 1.00 0.00 C ATOM 217 NH1 ARG A 13 4.886 -1.132 -13.574 1.00 0.00 N ATOM 218 NH2 ARG A 13 6.968 -0.409 -14.216 1.00 0.00 N ATOM 0 H ARG A 13 6.459 -0.555 -6.697 1.00 0.00 H new ATOM 0 HA ARG A 13 8.398 -2.473 -7.861 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.746 -0.317 -9.202 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.238 -0.912 -9.902 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.364 -3.133 -10.141 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.990 -2.786 -9.111 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.312 -2.813 -11.462 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.094 -1.214 -10.778 1.00 0.00 H new ATOM 0 HE ARG A 13 7.676 -1.293 -11.987 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.280 -1.582 -12.888 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.502 -0.815 -14.464 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.964 -0.302 -14.025 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.582 -0.093 -15.106 1.00 0.00 H new ATOM 232 N GLY A 14 10.063 -0.380 -8.263 1.00 0.00 N ATOM 233 CA GLY A 14 11.139 0.541 -7.967 1.00 0.00 C ATOM 234 C GLY A 14 12.266 -0.124 -7.205 1.00 0.00 C ATOM 235 O GLY A 14 12.259 -1.344 -7.013 1.00 0.00 O ATOM 0 H GLY A 14 10.181 -0.916 -9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.527 0.956 -8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.751 1.376 -7.383 1.00 0.00 H new ATOM 239 N SER A 15 13.225 0.673 -6.764 1.00 0.00 N ATOM 240 CA SER A 15 14.385 0.162 -6.054 1.00 0.00 C ATOM 241 C SER A 15 14.045 -0.243 -4.616 1.00 0.00 C ATOM 242 O SER A 15 13.941 0.599 -3.725 1.00 0.00 O ATOM 243 CB SER A 15 15.498 1.210 -6.074 1.00 0.00 C ATOM 244 OG SER A 15 14.985 2.506 -5.804 1.00 0.00 O ATOM 0 H SER A 15 13.222 1.686 -6.887 1.00 0.00 H new ATOM 0 HA SER A 15 14.726 -0.739 -6.563 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.256 0.954 -5.334 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.989 1.205 -7.047 1.00 0.00 H new ATOM 0 HG SER A 15 14.401 2.469 -5.018 1.00 0.00 H new ATOM 250 N LYS A 16 13.844 -1.542 -4.415 1.00 0.00 N ATOM 251 CA LYS A 16 13.609 -2.108 -3.088 1.00 0.00 C ATOM 252 C LYS A 16 13.743 -3.630 -3.124 1.00 0.00 C ATOM 253 O LYS A 16 13.968 -4.216 -4.186 1.00 0.00 O ATOM 254 CB LYS A 16 12.233 -1.698 -2.519 1.00 0.00 C ATOM 255 CG LYS A 16 11.086 -1.651 -3.527 1.00 0.00 C ATOM 256 CD LYS A 16 10.969 -2.929 -4.337 1.00 0.00 C ATOM 257 CE LYS A 16 9.669 -2.981 -5.110 1.00 0.00 C ATOM 258 NZ LYS A 16 9.672 -4.049 -6.144 1.00 0.00 N ATOM 0 H LYS A 16 13.839 -2.232 -5.166 1.00 0.00 H new ATOM 0 HA LYS A 16 14.370 -1.702 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.966 -2.396 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.329 -0.714 -2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.150 -1.473 -2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.235 -0.809 -4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.808 -3.000 -5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.032 -3.790 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.844 -3.150 -4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.493 -2.017 -5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.707 -4.184 -6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.300 -3.773 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.012 -4.938 -5.724 1.00 0.00 H new ATOM 272 N LYS A 17 13.586 -4.263 -1.967 1.00 0.00 N ATOM 273 CA LYS A 17 13.744 -5.709 -1.850 1.00 0.00 C ATOM 274 C LYS A 17 12.431 -6.443 -2.148 1.00 0.00 C ATOM 275 O LYS A 17 12.439 -7.589 -2.599 1.00 0.00 O ATOM 276 CB LYS A 17 14.227 -6.063 -0.440 1.00 0.00 C ATOM 277 CG LYS A 17 14.548 -7.538 -0.244 1.00 0.00 C ATOM 278 CD LYS A 17 15.747 -7.967 -1.076 1.00 0.00 C ATOM 279 CE LYS A 17 16.008 -9.460 -0.954 1.00 0.00 C ATOM 280 NZ LYS A 17 14.915 -10.268 -1.560 1.00 0.00 N ATOM 0 H LYS A 17 13.348 -3.795 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 17 14.483 -6.029 -2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 17 15.117 -5.476 -0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.461 -5.770 0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.749 -7.730 0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.681 -8.139 -0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.575 -7.711 -2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.630 -7.415 -0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.952 -9.704 -1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.114 -9.725 0.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.219 -11.259 -1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.068 -10.213 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.692 -9.897 -2.506 1.00 0.00 H new ATOM 294 N TYR A 18 11.310 -5.775 -1.903 1.00 0.00 N ATOM 295 CA TYR A 18 9.997 -6.405 -2.043 1.00 0.00 C ATOM 296 C TYR A 18 9.543 -6.465 -3.496 1.00 0.00 C ATOM 297 O TYR A 18 10.179 -5.902 -4.377 1.00 0.00 O ATOM 298 CB TYR A 18 8.948 -5.654 -1.222 1.00 0.00 C ATOM 299 CG TYR A 18 9.174 -5.720 0.268 1.00 0.00 C ATOM 300 CD1 TYR A 18 8.916 -6.884 0.980 1.00 0.00 C ATOM 301 CD2 TYR A 18 9.642 -4.616 0.964 1.00 0.00 C ATOM 302 CE1 TYR A 18 9.116 -6.944 2.346 1.00 0.00 C ATOM 303 CE2 TYR A 18 9.843 -4.668 2.327 1.00 0.00 C ATOM 304 CZ TYR A 18 9.580 -5.831 3.013 1.00 0.00 C ATOM 305 OH TYR A 18 9.780 -5.879 4.369 1.00 0.00 O ATOM 0 H TYR A 18 11.281 -4.799 -1.607 1.00 0.00 H new ATOM 0 HA TYR A 18 10.097 -7.425 -1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.938 -4.609 -1.532 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.963 -6.063 -1.448 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.553 -7.757 0.458 1.00 0.00 H new ATOM 0 HD2 TYR A 18 9.852 -3.701 0.430 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.910 -7.856 2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.206 -3.798 2.855 1.00 0.00 H new ATOM 0 HH TYR A 18 10.110 -5.011 4.682 1.00 0.00 H new ATOM 315 N ASN A 19 8.454 -7.179 -3.732 1.00 0.00 N ATOM 316 CA ASN A 19 7.794 -7.184 -5.035 1.00 0.00 C ATOM 317 C ASN A 19 6.312 -6.828 -4.878 1.00 0.00 C ATOM 318 O ASN A 19 5.635 -6.466 -5.841 1.00 0.00 O ATOM 319 CB ASN A 19 7.931 -8.554 -5.699 1.00 0.00 C ATOM 320 CG ASN A 19 7.453 -8.551 -7.137 1.00 0.00 C ATOM 321 OD1 ASN A 19 7.594 -7.556 -7.852 1.00 0.00 O ATOM 322 ND2 ASN A 19 6.874 -9.660 -7.570 1.00 0.00 N ATOM 0 H ASN A 19 8.002 -7.769 -3.033 1.00 0.00 H new ATOM 0 HA ASN A 19 8.275 -6.438 -5.668 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.975 -8.867 -5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.360 -9.288 -5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.525 -9.713 -8.527 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.777 -10.461 -6.947 1.00 0.00 H new ATOM 329 N VAL A 20 5.835 -6.894 -3.642 1.00 0.00 N ATOM 330 CA VAL A 20 4.438 -6.647 -3.313 1.00 0.00 C ATOM 331 C VAL A 20 4.364 -6.037 -1.919 1.00 0.00 C ATOM 332 O VAL A 20 5.206 -6.335 -1.069 1.00 0.00 O ATOM 333 CB VAL A 20 3.583 -7.940 -3.352 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.367 -8.416 -4.782 1.00 0.00 C ATOM 335 CG2 VAL A 20 4.225 -9.040 -2.517 1.00 0.00 C ATOM 0 H VAL A 20 6.412 -7.123 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 20 4.033 -5.967 -4.062 1.00 0.00 H new ATOM 0 HB VAL A 20 2.609 -7.704 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.764 -9.324 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.851 -7.641 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.331 -8.624 -5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.607 -9.937 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.217 -9.263 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.311 -8.708 -1.482 1.00 0.00 H new ATOM 345 N VAL A 21 3.392 -5.173 -1.683 1.00 0.00 N ATOM 346 CA VAL A 21 3.292 -4.501 -0.400 1.00 0.00 C ATOM 347 C VAL A 21 1.833 -4.393 0.057 1.00 0.00 C ATOM 348 O VAL A 21 0.946 -4.048 -0.729 1.00 0.00 O ATOM 349 CB VAL A 21 3.957 -3.102 -0.456 1.00 0.00 C ATOM 350 CG1 VAL A 21 3.176 -2.141 -1.341 1.00 0.00 C ATOM 351 CG2 VAL A 21 4.144 -2.530 0.939 1.00 0.00 C ATOM 0 H VAL A 21 2.668 -4.922 -2.356 1.00 0.00 H new ATOM 0 HA VAL A 21 3.828 -5.103 0.334 1.00 0.00 H new ATOM 0 HB VAL A 21 4.942 -3.229 -0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.674 -1.172 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.128 -2.538 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.166 -2.024 -0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.612 -1.548 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.174 -2.436 1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.780 -3.195 1.523 1.00 0.00 H new ATOM 361 N PRO A 22 1.558 -4.743 1.325 1.00 0.00 N ATOM 362 CA PRO A 22 0.213 -4.645 1.898 1.00 0.00 C ATOM 363 C PRO A 22 -0.180 -3.206 2.237 1.00 0.00 C ATOM 364 O PRO A 22 0.626 -2.429 2.758 1.00 0.00 O ATOM 365 CB PRO A 22 0.312 -5.490 3.168 1.00 0.00 C ATOM 366 CG PRO A 22 1.743 -5.402 3.570 1.00 0.00 C ATOM 367 CD PRO A 22 2.532 -5.289 2.292 1.00 0.00 C ATOM 0 HA PRO A 22 -0.553 -4.984 1.200 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.343 -5.107 3.950 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.016 -6.522 2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.915 -4.538 4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.043 -6.284 4.136 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.392 -4.630 2.410 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.915 -6.258 1.971 1.00 0.00 H new ATOM 375 N VAL A 23 -1.426 -2.869 1.943 1.00 0.00 N ATOM 376 CA VAL A 23 -1.967 -1.540 2.196 1.00 0.00 C ATOM 377 C VAL A 23 -3.340 -1.667 2.844 1.00 0.00 C ATOM 378 O VAL A 23 -4.012 -2.690 2.692 1.00 0.00 O ATOM 379 CB VAL A 23 -2.098 -0.706 0.897 1.00 0.00 C ATOM 380 CG1 VAL A 23 -0.744 -0.516 0.232 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.079 -1.352 -0.074 1.00 0.00 C ATOM 0 H VAL A 23 -2.095 -3.512 1.520 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.273 -1.024 2.859 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.486 0.274 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.865 0.073 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.073 0.005 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.322 -1.489 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.151 -0.745 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.728 -2.350 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.061 -1.423 0.394 1.00 0.00 H new ATOM 391 N LYS A 24 -3.753 -0.637 3.563 1.00 0.00 N ATOM 392 CA LYS A 24 -5.032 -0.658 4.255 1.00 0.00 C ATOM 393 C LYS A 24 -5.696 0.713 4.205 1.00 0.00 C ATOM 394 O LYS A 24 -5.059 1.711 3.864 1.00 0.00 O ATOM 395 CB LYS A 24 -4.838 -1.112 5.707 1.00 0.00 C ATOM 396 CG LYS A 24 -3.823 -0.282 6.478 1.00 0.00 C ATOM 397 CD LYS A 24 -3.429 -0.947 7.788 1.00 0.00 C ATOM 398 CE LYS A 24 -4.601 -1.059 8.746 1.00 0.00 C ATOM 399 NZ LYS A 24 -4.222 -1.765 9.997 1.00 0.00 N ATOM 0 H LYS A 24 -3.221 0.225 3.683 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.688 -1.368 3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.797 -1.068 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.521 -2.155 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.935 -0.132 5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.240 0.704 6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.031 -1.941 7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.630 -0.375 8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.970 -0.062 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.418 -1.592 8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.048 -1.823 10.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.894 -2.725 9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.459 -1.242 10.473 1.00 0.00 H new ATOM 413 N SER A 25 -6.974 0.755 4.537 1.00 0.00 N ATOM 414 CA SER A 25 -7.737 1.989 4.508 1.00 0.00 C ATOM 415 C SER A 25 -8.067 2.454 5.917 1.00 0.00 C ATOM 416 O SER A 25 -8.332 1.642 6.808 1.00 0.00 O ATOM 417 CB SER A 25 -9.007 1.786 3.688 1.00 0.00 C ATOM 418 OG SER A 25 -9.552 0.500 3.923 1.00 0.00 O ATOM 0 H SER A 25 -7.510 -0.061 4.833 1.00 0.00 H new ATOM 0 HA SER A 25 -7.135 2.767 4.038 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.740 2.550 3.947 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.784 1.904 2.628 1.00 0.00 H new ATOM 0 HG SER A 25 -9.007 -0.175 3.466 1.00 0.00 H new ATOM 424 N ASN A 26 -8.027 3.760 6.123 1.00 0.00 N ATOM 425 CA ASN A 26 -8.325 4.346 7.428 1.00 0.00 C ATOM 426 C ASN A 26 -9.830 4.414 7.673 1.00 0.00 C ATOM 427 O ASN A 26 -10.274 4.747 8.774 1.00 0.00 O ATOM 428 CB ASN A 26 -7.734 5.755 7.535 1.00 0.00 C ATOM 429 CG ASN A 26 -8.468 6.770 6.670 1.00 0.00 C ATOM 430 OD1 ASN A 26 -9.015 6.436 5.620 1.00 0.00 O ATOM 431 ND2 ASN A 26 -8.487 8.017 7.107 1.00 0.00 N ATOM 0 H ASN A 26 -7.790 4.441 5.402 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.873 3.703 8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.767 6.080 8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.684 5.727 7.243 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.966 8.739 6.569 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.022 8.258 7.983 1.00 0.00 H new ATOM 438 N LYS A 27 -10.606 4.111 6.645 1.00 0.00 N ATOM 439 CA LYS A 27 -12.052 4.226 6.721 1.00 0.00 C ATOM 440 C LYS A 27 -12.710 3.039 6.026 1.00 0.00 C ATOM 441 O LYS A 27 -12.294 2.650 4.937 1.00 0.00 O ATOM 442 CB LYS A 27 -12.498 5.532 6.057 1.00 0.00 C ATOM 443 CG LYS A 27 -13.590 6.273 6.810 1.00 0.00 C ATOM 444 CD LYS A 27 -13.092 6.805 8.147 1.00 0.00 C ATOM 445 CE LYS A 27 -11.922 7.766 7.979 1.00 0.00 C ATOM 446 NZ LYS A 27 -12.246 8.900 7.072 1.00 0.00 N ATOM 0 H LYS A 27 -10.256 3.782 5.745 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.355 4.231 7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.634 6.188 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.852 5.312 5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.954 7.101 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.435 5.605 6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.908 7.313 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.788 5.970 8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.632 8.156 8.955 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.063 7.223 7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.807 9.770 7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.881 8.698 6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.277 9.025 7.028 1.00 0.00 H new ATOM 460 N PRO A 28 -13.726 2.434 6.664 1.00 0.00 N ATOM 461 CA PRO A 28 -14.471 1.306 6.086 1.00 0.00 C ATOM 462 C PRO A 28 -15.085 1.654 4.731 1.00 0.00 C ATOM 463 O PRO A 28 -15.660 2.729 4.555 1.00 0.00 O ATOM 464 CB PRO A 28 -15.567 1.035 7.120 1.00 0.00 C ATOM 465 CG PRO A 28 -15.026 1.582 8.396 1.00 0.00 C ATOM 466 CD PRO A 28 -14.219 2.786 8.007 1.00 0.00 C ATOM 0 HA PRO A 28 -13.829 0.446 5.895 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.501 1.524 6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.778 -0.031 7.204 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.831 1.853 9.079 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.408 0.844 8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.827 3.691 7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.400 2.965 8.704 1.00 0.00 H new ATOM 474 N VAL A 29 -14.965 0.741 3.780 1.00 0.00 N ATOM 475 CA VAL A 29 -15.398 1.000 2.415 1.00 0.00 C ATOM 476 C VAL A 29 -16.557 0.083 2.033 1.00 0.00 C ATOM 477 O VAL A 29 -16.631 -1.056 2.491 1.00 0.00 O ATOM 478 CB VAL A 29 -14.237 0.773 1.420 1.00 0.00 C ATOM 479 CG1 VAL A 29 -14.535 1.414 0.073 1.00 0.00 C ATOM 480 CG2 VAL A 29 -12.926 1.292 1.993 1.00 0.00 C ATOM 0 H VAL A 29 -14.571 -0.188 3.928 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.723 2.039 2.366 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.136 -0.301 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.701 1.238 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -15.442 0.977 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.676 2.487 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.123 1.122 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.014 2.360 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.701 0.766 2.921 1.00 0.00 H new ATOM 490 N GLU A 30 -17.475 0.590 1.219 1.00 0.00 N ATOM 491 CA GLU A 30 -18.534 -0.241 0.666 1.00 0.00 C ATOM 492 C GLU A 30 -17.944 -1.167 -0.389 1.00 0.00 C ATOM 493 O GLU A 30 -17.164 -0.728 -1.235 1.00 0.00 O ATOM 494 CB GLU A 30 -19.645 0.604 0.026 1.00 0.00 C ATOM 495 CG GLU A 30 -20.145 1.752 0.887 1.00 0.00 C ATOM 496 CD GLU A 30 -19.394 3.043 0.631 1.00 0.00 C ATOM 497 OE1 GLU A 30 -18.277 3.204 1.158 1.00 0.00 O ATOM 498 OE2 GLU A 30 -19.922 3.908 -0.097 1.00 0.00 O ATOM 0 H GLU A 30 -17.507 1.567 0.929 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.972 -0.815 1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.278 1.008 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -20.486 -0.047 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -21.206 1.909 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -20.048 1.482 1.938 1.00 0.00 H new ATOM 505 N ILE A 31 -18.322 -2.439 -0.354 1.00 0.00 N ATOM 506 CA ILE A 31 -17.790 -3.412 -1.305 1.00 0.00 C ATOM 507 C ILE A 31 -18.246 -3.109 -2.733 1.00 0.00 C ATOM 508 O ILE A 31 -17.761 -3.714 -3.690 1.00 0.00 O ATOM 509 CB ILE A 31 -18.180 -4.858 -0.937 1.00 0.00 C ATOM 510 CG1 ILE A 31 -19.701 -5.025 -0.912 1.00 0.00 C ATOM 511 CG2 ILE A 31 -17.576 -5.237 0.409 1.00 0.00 C ATOM 512 CD1 ILE A 31 -20.147 -6.455 -0.705 1.00 0.00 C ATOM 0 H ILE A 31 -18.989 -2.821 0.316 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.705 -3.325 -1.253 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.782 -5.527 -1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -20.114 -4.405 -0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -20.115 -4.656 -1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.858 -6.260 0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -16.490 -5.163 0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.948 -4.560 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -21.236 -6.499 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.764 -7.076 -1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -19.763 -6.822 0.247 1.00 0.00 H new ATOM 524 N SER A 32 -19.172 -2.169 -2.877 1.00 0.00 N ATOM 525 CA SER A 32 -19.609 -1.713 -4.189 1.00 0.00 C ATOM 526 C SER A 32 -18.474 -0.967 -4.889 1.00 0.00 C ATOM 527 O SER A 32 -18.349 -0.995 -6.112 1.00 0.00 O ATOM 528 CB SER A 32 -20.828 -0.805 -4.038 1.00 0.00 C ATOM 529 OG SER A 32 -21.820 -1.436 -3.246 1.00 0.00 O ATOM 0 H SER A 32 -19.637 -1.706 -2.096 1.00 0.00 H new ATOM 0 HA SER A 32 -19.883 -2.576 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 32 -20.532 0.138 -3.578 1.00 0.00 H new ATOM 0 HB3 SER A 32 -21.236 -0.566 -5.020 1.00 0.00 H new ATOM 0 HG SER A 32 -22.594 -0.842 -3.157 1.00 0.00 H new ATOM 535 N LYS A 33 -17.633 -0.321 -4.089 1.00 0.00 N ATOM 536 CA LYS A 33 -16.501 0.433 -4.606 1.00 0.00 C ATOM 537 C LYS A 33 -15.289 -0.473 -4.786 1.00 0.00 C ATOM 538 O LYS A 33 -14.355 -0.132 -5.508 1.00 0.00 O ATOM 539 CB LYS A 33 -16.150 1.573 -3.649 1.00 0.00 C ATOM 540 CG LYS A 33 -17.215 2.650 -3.550 1.00 0.00 C ATOM 541 CD LYS A 33 -16.924 3.613 -2.410 1.00 0.00 C ATOM 542 CE LYS A 33 -17.884 4.791 -2.415 1.00 0.00 C ATOM 543 NZ LYS A 33 -17.816 5.572 -1.152 1.00 0.00 N ATOM 0 H LYS A 33 -17.717 -0.306 -3.073 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.778 0.846 -5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.975 1.158 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.215 2.030 -3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.267 3.200 -4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.190 2.187 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.999 3.086 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.900 3.977 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.653 5.443 -3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.901 4.429 -2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -18.341 6.463 -1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.237 5.019 -0.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.823 5.782 -0.927 1.00 0.00 H new ATOM 557 N TRP A 34 -15.331 -1.635 -4.136 1.00 0.00 N ATOM 558 CA TRP A 34 -14.202 -2.569 -4.102 1.00 0.00 C ATOM 559 C TRP A 34 -13.674 -2.886 -5.501 1.00 0.00 C ATOM 560 O TRP A 34 -12.462 -2.872 -5.729 1.00 0.00 O ATOM 561 CB TRP A 34 -14.621 -3.863 -3.394 1.00 0.00 C ATOM 562 CG TRP A 34 -13.544 -4.905 -3.349 1.00 0.00 C ATOM 563 CD1 TRP A 34 -12.465 -4.930 -2.516 1.00 0.00 C ATOM 564 CD2 TRP A 34 -13.449 -6.078 -4.168 1.00 0.00 C ATOM 565 NE1 TRP A 34 -11.700 -6.041 -2.770 1.00 0.00 N ATOM 566 CE2 TRP A 34 -12.281 -6.761 -3.780 1.00 0.00 C ATOM 567 CE3 TRP A 34 -14.233 -6.613 -5.195 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -11.883 -7.955 -4.378 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -13.837 -7.798 -5.788 1.00 0.00 C ATOM 570 CH2 TRP A 34 -12.669 -8.456 -5.379 1.00 0.00 C ATOM 0 H TRP A 34 -16.148 -1.957 -3.617 1.00 0.00 H new ATOM 0 HA TRP A 34 -13.394 -2.090 -3.550 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.927 -3.626 -2.375 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -15.493 -4.277 -3.900 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -12.244 -4.185 -1.766 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -10.838 -6.290 -2.285 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.132 -6.110 -5.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -10.986 -8.467 -4.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -14.437 -8.223 -6.579 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -12.384 -9.378 -5.864 1.00 0.00 H new ATOM 581 N ILE A 35 -14.580 -3.158 -6.433 1.00 0.00 N ATOM 582 CA ILE A 35 -14.185 -3.533 -7.785 1.00 0.00 C ATOM 583 C ILE A 35 -13.392 -2.414 -8.468 1.00 0.00 C ATOM 584 O ILE A 35 -12.343 -2.662 -9.064 1.00 0.00 O ATOM 585 CB ILE A 35 -15.407 -3.929 -8.652 1.00 0.00 C ATOM 586 CG1 ILE A 35 -14.965 -4.239 -10.087 1.00 0.00 C ATOM 587 CG2 ILE A 35 -16.469 -2.836 -8.635 1.00 0.00 C ATOM 588 CD1 ILE A 35 -16.081 -4.739 -10.976 1.00 0.00 C ATOM 0 H ILE A 35 -15.588 -3.126 -6.279 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.539 -4.406 -7.692 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.851 -4.829 -8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.538 -3.338 -10.528 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.173 -4.987 -10.059 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.315 -3.141 -9.251 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.806 -2.672 -7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.047 -1.912 -9.030 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -15.690 -4.936 -11.974 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -16.494 -5.658 -10.560 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -16.865 -3.984 -11.036 1.00 0.00 H new ATOM 600 N ASP A 36 -13.866 -1.181 -8.346 1.00 0.00 N ATOM 601 CA ASP A 36 -13.216 -0.060 -9.013 1.00 0.00 C ATOM 602 C ASP A 36 -11.990 0.380 -8.221 1.00 0.00 C ATOM 603 O ASP A 36 -10.997 0.819 -8.797 1.00 0.00 O ATOM 604 CB ASP A 36 -14.193 1.104 -9.200 1.00 0.00 C ATOM 605 CG ASP A 36 -13.745 2.063 -10.289 1.00 0.00 C ATOM 606 OD1 ASP A 36 -13.639 1.634 -11.458 1.00 0.00 O ATOM 607 OD2 ASP A 36 -13.522 3.251 -9.990 1.00 0.00 O ATOM 0 H ASP A 36 -14.689 -0.933 -7.798 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.892 -0.384 -10.002 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.179 0.711 -9.448 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.293 1.646 -8.260 1.00 0.00 H new ATOM 612 N PHE A 37 -12.059 0.237 -6.897 1.00 0.00 N ATOM 613 CA PHE A 37 -10.904 0.470 -6.032 1.00 0.00 C ATOM 614 C PHE A 37 -9.740 -0.407 -6.466 1.00 0.00 C ATOM 615 O PHE A 37 -8.614 0.065 -6.635 1.00 0.00 O ATOM 616 CB PHE A 37 -11.252 0.167 -4.571 1.00 0.00 C ATOM 617 CG PHE A 37 -11.491 1.388 -3.727 1.00 0.00 C ATOM 618 CD1 PHE A 37 -12.725 2.017 -3.720 1.00 0.00 C ATOM 619 CD2 PHE A 37 -10.478 1.900 -2.932 1.00 0.00 C ATOM 620 CE1 PHE A 37 -12.945 3.134 -2.937 1.00 0.00 C ATOM 621 CE2 PHE A 37 -10.692 3.017 -2.148 1.00 0.00 C ATOM 622 CZ PHE A 37 -11.927 3.636 -2.150 1.00 0.00 C ATOM 0 H PHE A 37 -12.906 -0.040 -6.400 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.621 1.519 -6.118 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.144 -0.459 -4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.442 -0.413 -4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.525 1.630 -4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.510 1.420 -2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -13.912 3.614 -2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -9.894 3.406 -1.533 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.096 4.510 -1.538 1.00 0.00 H new ATOM 632 N SER A 38 -10.031 -1.688 -6.656 1.00 0.00 N ATOM 633 CA SER A 38 -9.037 -2.640 -7.116 1.00 0.00 C ATOM 634 C SER A 38 -8.512 -2.234 -8.491 1.00 0.00 C ATOM 635 O SER A 38 -7.308 -2.250 -8.730 1.00 0.00 O ATOM 636 CB SER A 38 -9.639 -4.046 -7.174 1.00 0.00 C ATOM 637 OG SER A 38 -10.196 -4.415 -5.924 1.00 0.00 O ATOM 0 H SER A 38 -10.955 -2.090 -6.496 1.00 0.00 H new ATOM 0 HA SER A 38 -8.205 -2.644 -6.412 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.409 -4.083 -7.944 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.869 -4.763 -7.458 1.00 0.00 H new ATOM 0 HG SER A 38 -11.093 -4.029 -5.839 1.00 0.00 H new ATOM 643 N ASN A 39 -9.424 -1.849 -9.379 1.00 0.00 N ATOM 644 CA ASN A 39 -9.066 -1.419 -10.731 1.00 0.00 C ATOM 645 C ASN A 39 -8.093 -0.245 -10.711 1.00 0.00 C ATOM 646 O ASN A 39 -7.086 -0.250 -11.424 1.00 0.00 O ATOM 647 CB ASN A 39 -10.319 -1.031 -11.513 1.00 0.00 C ATOM 648 CG ASN A 39 -11.014 -2.222 -12.140 1.00 0.00 C ATOM 649 OD1 ASN A 39 -10.890 -3.354 -11.665 1.00 0.00 O ATOM 650 ND2 ASN A 39 -11.752 -1.975 -13.210 1.00 0.00 N ATOM 0 H ASN A 39 -10.425 -1.825 -9.186 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.574 -2.260 -11.220 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.014 -0.521 -10.846 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.048 -0.321 -12.295 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.246 -2.736 -13.676 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.827 -1.023 -13.569 1.00 0.00 H new ATOM 657 N VAL A 40 -8.395 0.759 -9.896 1.00 0.00 N ATOM 658 CA VAL A 40 -7.530 1.924 -9.775 1.00 0.00 C ATOM 659 C VAL A 40 -6.180 1.533 -9.182 1.00 0.00 C ATOM 660 O VAL A 40 -5.134 1.918 -9.701 1.00 0.00 O ATOM 661 CB VAL A 40 -8.177 3.029 -8.908 1.00 0.00 C ATOM 662 CG1 VAL A 40 -7.238 4.217 -8.745 1.00 0.00 C ATOM 663 CG2 VAL A 40 -9.498 3.477 -9.514 1.00 0.00 C ATOM 0 H VAL A 40 -9.230 0.789 -9.311 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.382 2.320 -10.780 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.370 2.611 -7.920 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.718 4.979 -8.131 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.317 3.889 -8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.005 4.634 -9.725 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.939 4.255 -8.891 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.324 3.870 -10.516 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.179 2.628 -9.571 1.00 0.00 H new ATOM 673 N LEU A 41 -6.211 0.739 -8.117 1.00 0.00 N ATOM 674 CA LEU A 41 -4.987 0.324 -7.438 1.00 0.00 C ATOM 675 C LEU A 41 -4.135 -0.565 -8.346 1.00 0.00 C ATOM 676 O LEU A 41 -2.909 -0.538 -8.279 1.00 0.00 O ATOM 677 CB LEU A 41 -5.319 -0.416 -6.139 1.00 0.00 C ATOM 678 CG LEU A 41 -4.170 -0.511 -5.134 1.00 0.00 C ATOM 679 CD1 LEU A 41 -3.812 0.868 -4.602 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.536 -1.451 -3.994 1.00 0.00 C ATOM 0 H LEU A 41 -7.068 0.370 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.415 1.220 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.160 0.084 -5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.648 -1.425 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.296 -0.917 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.993 0.781 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.507 1.509 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.680 1.304 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.707 -1.507 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.423 -1.076 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.740 -2.445 -4.393 1.00 0.00 H new ATOM 692 N SER A 42 -4.791 -1.338 -9.210 1.00 0.00 N ATOM 693 CA SER A 42 -4.091 -2.214 -10.148 1.00 0.00 C ATOM 694 C SER A 42 -3.312 -1.400 -11.177 1.00 0.00 C ATOM 695 O SER A 42 -2.379 -1.899 -11.804 1.00 0.00 O ATOM 696 CB SER A 42 -5.081 -3.139 -10.866 1.00 0.00 C ATOM 697 OG SER A 42 -5.779 -3.963 -9.946 1.00 0.00 O ATOM 0 H SER A 42 -5.808 -1.375 -9.280 1.00 0.00 H new ATOM 0 HA SER A 42 -3.389 -2.820 -9.575 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.793 -2.541 -11.435 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.545 -3.763 -11.582 1.00 0.00 H new ATOM 0 HG SER A 42 -6.385 -3.412 -9.408 1.00 0.00 H new ATOM 703 N ARG A 43 -3.704 -0.146 -11.351 1.00 0.00 N ATOM 704 CA ARG A 43 -3.036 0.740 -12.291 1.00 0.00 C ATOM 705 C ARG A 43 -2.160 1.742 -11.553 1.00 0.00 C ATOM 706 O ARG A 43 -1.628 2.678 -12.149 1.00 0.00 O ATOM 707 CB ARG A 43 -4.063 1.472 -13.154 1.00 0.00 C ATOM 708 CG ARG A 43 -4.762 0.571 -14.156 1.00 0.00 C ATOM 709 CD ARG A 43 -5.865 1.309 -14.890 1.00 0.00 C ATOM 710 NE ARG A 43 -7.021 1.570 -14.034 1.00 0.00 N ATOM 711 CZ ARG A 43 -7.689 2.722 -14.014 1.00 0.00 C ATOM 712 NH1 ARG A 43 -7.289 3.736 -14.774 1.00 0.00 N ATOM 713 NH2 ARG A 43 -8.763 2.856 -13.246 1.00 0.00 N ATOM 0 H ARG A 43 -4.484 0.281 -10.851 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.401 0.136 -12.939 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.810 1.930 -12.506 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.566 2.281 -13.689 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.036 0.191 -14.875 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.181 -0.293 -13.640 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.477 2.254 -15.271 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.180 0.723 -15.753 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.335 0.824 -13.414 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.470 3.632 -15.373 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.801 4.618 -14.758 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.078 2.076 -12.670 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.273 3.739 -13.232 1.00 0.00 H new ATOM 727 N LEU A 44 -2.005 1.535 -10.255 1.00 0.00 N ATOM 728 CA LEU A 44 -1.195 2.418 -9.437 1.00 0.00 C ATOM 729 C LEU A 44 0.074 1.699 -8.988 1.00 0.00 C ATOM 730 O LEU A 44 0.128 1.121 -7.903 1.00 0.00 O ATOM 731 CB LEU A 44 -1.995 2.903 -8.224 1.00 0.00 C ATOM 732 CG LEU A 44 -1.311 3.976 -7.374 1.00 0.00 C ATOM 733 CD1 LEU A 44 -1.108 5.250 -8.180 1.00 0.00 C ATOM 734 CD2 LEU A 44 -2.125 4.260 -6.120 1.00 0.00 C ATOM 0 H LEU A 44 -2.431 0.761 -9.746 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.912 3.287 -10.031 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.951 3.294 -8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.215 2.045 -7.588 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.332 3.603 -7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.620 6.000 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.483 5.036 -9.047 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.075 5.628 -8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.624 5.025 -5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.118 4.611 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.217 3.347 -5.531 1.00 0.00 H new ATOM 746 N TYR A 45 1.082 1.708 -9.847 1.00 0.00 N ATOM 747 CA TYR A 45 2.342 1.055 -9.540 1.00 0.00 C ATOM 748 C TYR A 45 3.311 2.042 -8.909 1.00 0.00 C ATOM 749 O TYR A 45 3.919 2.866 -9.596 1.00 0.00 O ATOM 750 CB TYR A 45 2.951 0.433 -10.797 1.00 0.00 C ATOM 751 CG TYR A 45 2.137 -0.710 -11.358 1.00 0.00 C ATOM 752 CD1 TYR A 45 2.108 -1.943 -10.716 1.00 0.00 C ATOM 753 CD2 TYR A 45 1.398 -0.562 -12.526 1.00 0.00 C ATOM 754 CE1 TYR A 45 1.369 -2.994 -11.219 1.00 0.00 C ATOM 755 CE2 TYR A 45 0.655 -1.609 -13.037 1.00 0.00 C ATOM 756 CZ TYR A 45 0.644 -2.823 -12.380 1.00 0.00 C ATOM 757 OH TYR A 45 -0.096 -3.869 -12.884 1.00 0.00 O ATOM 0 H TYR A 45 1.051 2.160 -10.761 1.00 0.00 H new ATOM 0 HA TYR A 45 2.148 0.255 -8.825 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.055 1.204 -11.561 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.954 0.075 -10.566 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.674 -2.081 -9.807 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.405 0.387 -13.042 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.358 -3.945 -10.707 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.086 -1.478 -13.946 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.548 -3.584 -13.705 1.00 0.00 H new ATOM 767 N VAL A 46 3.427 1.966 -7.593 1.00 0.00 N ATOM 768 CA VAL A 46 4.283 2.864 -6.833 1.00 0.00 C ATOM 769 C VAL A 46 5.306 2.045 -6.049 1.00 0.00 C ATOM 770 O VAL A 46 5.118 0.843 -5.845 1.00 0.00 O ATOM 771 CB VAL A 46 3.448 3.734 -5.857 1.00 0.00 C ATOM 772 CG1 VAL A 46 4.293 4.830 -5.222 1.00 0.00 C ATOM 773 CG2 VAL A 46 2.247 4.340 -6.567 1.00 0.00 C ATOM 0 H VAL A 46 2.931 1.281 -7.022 1.00 0.00 H new ATOM 0 HA VAL A 46 4.795 3.529 -7.529 1.00 0.00 H new ATOM 0 HB VAL A 46 3.092 3.080 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.675 5.419 -4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.114 4.379 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.695 5.477 -6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.676 4.946 -5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.589 4.966 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.614 3.543 -6.956 1.00 0.00 H new ATOM 783 N GLY A 47 6.393 2.678 -5.640 1.00 0.00 N ATOM 784 CA GLY A 47 7.383 1.998 -4.841 1.00 0.00 C ATOM 785 C GLY A 47 8.035 2.910 -3.828 1.00 0.00 C ATOM 786 O GLY A 47 7.351 3.683 -3.157 1.00 0.00 O ATOM 0 H GLY A 47 6.606 3.653 -5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.915 1.161 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.149 1.580 -5.495 1.00 0.00 H new ATOM 790 N VAL A 48 9.364 2.825 -3.744 1.00 0.00 N ATOM 791 CA VAL A 48 10.153 3.588 -2.774 1.00 0.00 C ATOM 792 C VAL A 48 9.942 3.046 -1.359 1.00 0.00 C ATOM 793 O VAL A 48 8.835 3.084 -0.827 1.00 0.00 O ATOM 794 CB VAL A 48 9.831 5.104 -2.807 1.00 0.00 C ATOM 795 CG1 VAL A 48 10.683 5.858 -1.795 1.00 0.00 C ATOM 796 CG2 VAL A 48 10.037 5.668 -4.208 1.00 0.00 C ATOM 0 H VAL A 48 9.925 2.224 -4.348 1.00 0.00 H new ATOM 0 HA VAL A 48 11.198 3.467 -3.059 1.00 0.00 H new ATOM 0 HB VAL A 48 8.783 5.235 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.441 6.920 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.481 5.477 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.738 5.717 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.806 6.733 -4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.074 5.522 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.379 5.153 -4.908 1.00 0.00 H new ATOM 806 N PRO A 49 11.010 2.506 -0.747 1.00 0.00 N ATOM 807 CA PRO A 49 10.960 1.952 0.614 1.00 0.00 C ATOM 808 C PRO A 49 10.399 2.939 1.635 1.00 0.00 C ATOM 809 O PRO A 49 11.024 3.953 1.952 1.00 0.00 O ATOM 810 CB PRO A 49 12.424 1.630 0.916 1.00 0.00 C ATOM 811 CG PRO A 49 13.038 1.411 -0.421 1.00 0.00 C ATOM 812 CD PRO A 49 12.352 2.380 -1.340 1.00 0.00 C ATOM 0 HA PRO A 49 10.297 1.089 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.910 2.449 1.447 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.515 0.744 1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.113 1.590 -0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.894 0.384 -0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.869 3.339 -1.375 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.308 2.004 -2.362 1.00 0.00 H new ATOM 820 N THR A 50 9.211 2.634 2.135 1.00 0.00 N ATOM 821 CA THR A 50 8.511 3.508 3.057 1.00 0.00 C ATOM 822 C THR A 50 8.472 2.934 4.475 1.00 0.00 C ATOM 823 O THR A 50 9.139 1.942 4.781 1.00 0.00 O ATOM 824 CB THR A 50 7.077 3.751 2.566 1.00 0.00 C ATOM 825 OG1 THR A 50 6.537 2.534 2.038 1.00 0.00 O ATOM 826 CG2 THR A 50 7.040 4.839 1.502 1.00 0.00 C ATOM 0 H THR A 50 8.708 1.775 1.912 1.00 0.00 H new ATOM 0 HA THR A 50 9.059 4.450 3.090 1.00 0.00 H new ATOM 0 HB THR A 50 6.474 4.083 3.412 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.663 2.360 2.446 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.012 4.990 1.172 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.428 5.769 1.918 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.653 4.538 0.652 1.00 0.00 H new ATOM 834 N LYS A 51 7.692 3.576 5.339 1.00 0.00 N ATOM 835 CA LYS A 51 7.561 3.161 6.730 1.00 0.00 C ATOM 836 C LYS A 51 6.090 2.985 7.085 1.00 0.00 C ATOM 837 O LYS A 51 5.217 3.419 6.337 1.00 0.00 O ATOM 838 CB LYS A 51 8.207 4.198 7.652 1.00 0.00 C ATOM 839 CG LYS A 51 9.710 4.316 7.468 1.00 0.00 C ATOM 840 CD LYS A 51 10.289 5.474 8.262 1.00 0.00 C ATOM 841 CE LYS A 51 11.807 5.482 8.194 1.00 0.00 C ATOM 842 NZ LYS A 51 12.399 4.347 8.952 1.00 0.00 N ATOM 0 H LYS A 51 7.135 4.395 5.095 1.00 0.00 H new ATOM 0 HA LYS A 51 8.072 2.207 6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.749 5.170 7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.995 3.934 8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.188 3.387 7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.937 4.452 6.411 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.900 6.415 7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.969 5.402 9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.125 5.429 7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.184 6.423 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.417 4.512 9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.937 4.271 9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.258 3.464 8.421 1.00 0.00 H new ATOM 856 N SER A 52 5.819 2.356 8.219 1.00 0.00 N ATOM 857 CA SER A 52 4.448 2.099 8.644 1.00 0.00 C ATOM 858 C SER A 52 3.694 3.408 8.852 1.00 0.00 C ATOM 859 O SER A 52 4.192 4.327 9.503 1.00 0.00 O ATOM 860 CB SER A 52 4.435 1.282 9.936 1.00 0.00 C ATOM 861 OG SER A 52 3.126 0.867 10.276 1.00 0.00 O ATOM 0 H SER A 52 6.531 2.013 8.864 1.00 0.00 H new ATOM 0 HA SER A 52 3.950 1.530 7.859 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.076 0.408 9.821 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.851 1.878 10.748 1.00 0.00 H new ATOM 0 HG SER A 52 3.153 0.346 11.105 1.00 0.00 H new ATOM 867 N GLY A 53 2.502 3.487 8.280 1.00 0.00 N ATOM 868 CA GLY A 53 1.701 4.680 8.410 1.00 0.00 C ATOM 869 C GLY A 53 1.938 5.636 7.268 1.00 0.00 C ATOM 870 O GLY A 53 1.671 6.835 7.383 1.00 0.00 O ATOM 0 H GLY A 53 2.077 2.743 7.727 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.646 4.408 8.445 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.934 5.174 9.353 1.00 0.00 H new ATOM 874 N ASN A 54 2.446 5.114 6.160 1.00 0.00 N ATOM 875 CA ASN A 54 2.695 5.954 4.993 1.00 0.00 C ATOM 876 C ASN A 54 1.455 5.994 4.115 1.00 0.00 C ATOM 877 O ASN A 54 0.850 4.963 3.832 1.00 0.00 O ATOM 878 CB ASN A 54 3.916 5.483 4.184 1.00 0.00 C ATOM 879 CG ASN A 54 3.683 4.197 3.406 1.00 0.00 C ATOM 880 OD1 ASN A 54 4.047 3.070 3.996 1.00 0.00 O flip ATOM 881 ND2 ASN A 54 3.206 4.220 2.274 1.00 0.00 N flip ATOM 0 H ASN A 54 2.691 4.131 6.043 1.00 0.00 H new ATOM 0 HA ASN A 54 2.922 6.959 5.350 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.203 6.270 3.487 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.755 5.337 4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.937 5.109 1.852 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.079 3.350 1.756 1.00 0.00 H new ATOM 888 N VAL A 55 1.056 7.187 3.714 1.00 0.00 N ATOM 889 CA VAL A 55 -0.119 7.342 2.872 1.00 0.00 C ATOM 890 C VAL A 55 0.267 7.213 1.406 1.00 0.00 C ATOM 891 O VAL A 55 0.887 8.113 0.840 1.00 0.00 O ATOM 892 CB VAL A 55 -0.810 8.703 3.096 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.104 8.783 2.302 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.075 8.939 4.574 1.00 0.00 C ATOM 0 H VAL A 55 1.525 8.060 3.956 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.820 6.553 3.145 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.139 9.486 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.577 9.750 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.887 8.668 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.777 7.988 2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.563 9.905 4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.722 8.150 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.131 8.932 5.119 1.00 0.00 H new ATOM 904 N VAL A 56 -0.085 6.085 0.805 1.00 0.00 N ATOM 905 CA VAL A 56 0.201 5.847 -0.599 1.00 0.00 C ATOM 906 C VAL A 56 -0.640 6.778 -1.462 1.00 0.00 C ATOM 907 O VAL A 56 -0.116 7.544 -2.268 1.00 0.00 O ATOM 908 CB VAL A 56 -0.081 4.380 -0.994 1.00 0.00 C ATOM 909 CG1 VAL A 56 0.286 4.129 -2.450 1.00 0.00 C ATOM 910 CG2 VAL A 56 0.668 3.421 -0.077 1.00 0.00 C ATOM 0 H VAL A 56 -0.571 5.319 1.272 1.00 0.00 H new ATOM 0 HA VAL A 56 1.260 6.045 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.150 4.199 -0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.078 3.089 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.303 4.784 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.346 4.334 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.455 2.394 -0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.739 3.606 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.346 3.576 0.953 1.00 0.00 H new ATOM 920 N CYS A 57 -1.949 6.720 -1.269 1.00 0.00 N ATOM 921 CA CYS A 57 -2.854 7.607 -1.969 1.00 0.00 C ATOM 922 C CYS A 57 -3.811 8.245 -0.970 1.00 0.00 C ATOM 923 O CYS A 57 -4.536 7.549 -0.252 1.00 0.00 O ATOM 924 CB CYS A 57 -3.622 6.850 -3.053 1.00 0.00 C ATOM 925 SG CYS A 57 -4.426 7.922 -4.265 1.00 0.00 S ATOM 0 H CYS A 57 -2.405 6.066 -0.632 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.278 8.392 -2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.935 6.182 -3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.378 6.224 -2.579 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.486 7.312 -5.411 1.00 0.00 H new ATOM 931 N LYS A 58 -3.792 9.566 -0.916 1.00 0.00 N ATOM 932 CA LYS A 58 -4.589 10.304 0.049 1.00 0.00 C ATOM 933 C LYS A 58 -5.936 10.675 -0.555 1.00 0.00 C ATOM 934 O LYS A 58 -6.007 11.482 -1.483 1.00 0.00 O ATOM 935 CB LYS A 58 -3.820 11.546 0.507 1.00 0.00 C ATOM 936 CG LYS A 58 -4.507 12.329 1.611 1.00 0.00 C ATOM 937 CD LYS A 58 -3.528 13.237 2.342 1.00 0.00 C ATOM 938 CE LYS A 58 -2.461 12.431 3.071 1.00 0.00 C ATOM 939 NZ LYS A 58 -1.487 13.301 3.782 1.00 0.00 N ATOM 0 H LYS A 58 -3.230 10.152 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.779 9.678 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.832 11.241 0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.669 12.203 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.313 12.928 1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.963 11.638 2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.053 13.911 1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.069 13.858 3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.939 11.763 3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.930 11.804 2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.780 12.709 4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.011 13.921 3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.988 13.882 4.484 1.00 0.00 H new ATOM 953 N ASN A 59 -6.996 10.071 -0.019 1.00 0.00 N ATOM 954 CA ASN A 59 -8.347 10.212 -0.564 1.00 0.00 C ATOM 955 C ASN A 59 -8.368 9.731 -2.014 1.00 0.00 C ATOM 956 O ASN A 59 -8.807 10.440 -2.920 1.00 0.00 O ATOM 957 CB ASN A 59 -8.844 11.658 -0.452 1.00 0.00 C ATOM 958 CG ASN A 59 -10.345 11.759 -0.645 1.00 0.00 C ATOM 959 OD1 ASN A 59 -11.082 10.806 -0.377 1.00 0.00 O ATOM 960 ND2 ASN A 59 -10.815 12.913 -1.093 1.00 0.00 N ATOM 0 H ASN A 59 -6.943 9.471 0.804 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.027 9.594 0.021 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.576 12.059 0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.340 12.273 -1.197 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.818 13.037 -1.228 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.174 13.678 -1.303 1.00 0.00 H new ATOM 967 N ILE A 60 -7.915 8.488 -2.189 1.00 0.00 N ATOM 968 CA ILE A 60 -7.665 7.881 -3.502 1.00 0.00 C ATOM 969 C ILE A 60 -8.799 8.100 -4.512 1.00 0.00 C ATOM 970 O ILE A 60 -8.544 8.410 -5.675 1.00 0.00 O ATOM 971 CB ILE A 60 -7.383 6.359 -3.351 1.00 0.00 C ATOM 972 CG1 ILE A 60 -7.203 5.689 -4.722 1.00 0.00 C ATOM 973 CG2 ILE A 60 -8.494 5.680 -2.561 1.00 0.00 C ATOM 974 CD1 ILE A 60 -6.846 4.216 -4.645 1.00 0.00 C ATOM 0 H ILE A 60 -7.707 7.863 -1.410 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.788 8.390 -3.903 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.451 6.245 -2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.125 5.800 -5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.422 6.214 -5.272 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.276 4.616 -2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.559 6.126 -1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.443 5.812 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.736 3.815 -5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.908 4.097 -4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.637 3.677 -4.124 1.00 0.00 H new ATOM 986 N MET A 61 -10.042 7.949 -4.079 1.00 0.00 N ATOM 987 CA MET A 61 -11.168 8.036 -4.999 1.00 0.00 C ATOM 988 C MET A 61 -12.227 9.001 -4.493 1.00 0.00 C ATOM 989 O MET A 61 -13.409 8.853 -4.808 1.00 0.00 O ATOM 990 CB MET A 61 -11.776 6.649 -5.221 1.00 0.00 C ATOM 991 CG MET A 61 -10.815 5.668 -5.876 1.00 0.00 C ATOM 992 SD MET A 61 -11.566 4.062 -6.184 1.00 0.00 S ATOM 993 CE MET A 61 -12.898 4.529 -7.282 1.00 0.00 C ATOM 0 H MET A 61 -10.296 7.768 -3.108 1.00 0.00 H new ATOM 0 HA MET A 61 -10.796 8.419 -5.949 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.100 6.244 -4.262 1.00 0.00 H new ATOM 0 HB3 MET A 61 -12.666 6.745 -5.843 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.462 6.086 -6.819 1.00 0.00 H new ATOM 0 HG3 MET A 61 -9.941 5.540 -5.237 1.00 0.00 H new ATOM 0 HE1 MET A 61 -13.385 3.632 -7.665 1.00 0.00 H new ATOM 0 HE2 MET A 61 -13.624 5.132 -6.737 1.00 0.00 H new ATOM 0 HE3 MET A 61 -12.498 5.108 -8.114 1.00 0.00 H new ATOM 1003 N ASN A 62 -11.787 10.002 -3.731 1.00 0.00 N ATOM 1004 CA ASN A 62 -12.684 11.019 -3.176 1.00 0.00 C ATOM 1005 C ASN A 62 -13.827 10.363 -2.398 1.00 0.00 C ATOM 1006 O ASN A 62 -14.973 10.322 -2.852 1.00 0.00 O ATOM 1007 CB ASN A 62 -13.238 11.920 -4.293 1.00 0.00 C ATOM 1008 CG ASN A 62 -13.865 13.204 -3.775 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -14.367 13.266 -2.653 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -13.847 14.242 -4.597 1.00 0.00 N ATOM 0 H ASN A 62 -10.807 10.132 -3.482 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.112 11.640 -2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.431 12.170 -4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.983 11.364 -4.863 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.258 15.129 -4.307 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.422 14.154 -5.520 1.00 0.00 H new ATOM 1017 N THR A 63 -13.502 9.826 -1.233 1.00 0.00 N ATOM 1018 CA THR A 63 -14.476 9.109 -0.426 1.00 0.00 C ATOM 1019 C THR A 63 -14.096 9.154 1.060 1.00 0.00 C ATOM 1020 O THR A 63 -14.662 8.426 1.879 1.00 0.00 O ATOM 1021 CB THR A 63 -14.603 7.641 -0.911 1.00 0.00 C ATOM 1022 OG1 THR A 63 -15.617 6.942 -0.174 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.277 6.903 -0.781 1.00 0.00 C ATOM 0 H THR A 63 -12.569 9.873 -0.824 1.00 0.00 H new ATOM 0 HA THR A 63 -15.443 9.599 -0.542 1.00 0.00 H new ATOM 0 HB THR A 63 -14.887 7.670 -1.963 1.00 0.00 H new ATOM 0 HG1 THR A 63 -15.667 7.302 0.736 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.396 5.877 -1.128 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.521 7.405 -1.385 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.964 6.899 0.263 1.00 0.00 H new ATOM 1031 N GLY A 64 -13.159 10.032 1.405 1.00 0.00 N ATOM 1032 CA GLY A 64 -12.709 10.140 2.782 1.00 0.00 C ATOM 1033 C GLY A 64 -11.924 8.925 3.235 1.00 0.00 C ATOM 1034 O GLY A 64 -12.057 8.482 4.376 1.00 0.00 O ATOM 0 H GLY A 64 -12.702 10.672 0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.088 11.030 2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.573 10.274 3.433 1.00 0.00 H new ATOM 1038 N VAL A 65 -11.119 8.377 2.335 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.309 7.207 2.642 1.00 0.00 C ATOM 1040 C VAL A 65 -8.845 7.456 2.304 1.00 0.00 C ATOM 1041 O VAL A 65 -8.499 7.747 1.159 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.799 5.952 1.877 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -9.793 4.815 1.991 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -12.151 5.497 2.399 1.00 0.00 C ATOM 0 H VAL A 65 -11.010 8.726 1.383 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.411 7.026 3.712 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.899 6.224 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.162 3.947 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.839 5.130 1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.657 4.553 3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.476 4.615 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.069 5.253 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.880 6.296 2.266 1.00 0.00 H new ATOM 1054 N ASP A 66 -7.999 7.341 3.311 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.562 7.406 3.114 1.00 0.00 C ATOM 1056 C ASP A 66 -6.018 5.995 3.003 1.00 0.00 C ATOM 1057 O ASP A 66 -6.204 5.174 3.905 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.874 8.118 4.285 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.256 9.579 4.406 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -5.651 10.413 3.706 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -7.147 9.899 5.223 1.00 0.00 O ATOM 0 H ASP A 66 -8.285 7.201 4.280 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.361 7.970 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.128 7.605 5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.794 8.041 4.164 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.371 5.702 1.888 1.00 0.00 N ATOM 1067 CA ILE A 67 -4.782 4.390 1.690 1.00 0.00 C ATOM 1068 C ILE A 67 -3.370 4.382 2.245 1.00 0.00 C ATOM 1069 O ILE A 67 -2.444 4.913 1.631 1.00 0.00 O ATOM 1070 CB ILE A 67 -4.764 3.981 0.199 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.190 3.921 -0.352 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.063 2.640 0.013 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.074 2.902 0.341 1.00 0.00 C ATOM 0 H ILE A 67 -5.241 6.350 1.111 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.397 3.663 2.220 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.206 4.735 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.647 4.906 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.148 3.688 -1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.063 2.373 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.035 2.714 0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.589 1.873 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.068 2.919 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.642 1.908 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.148 3.145 1.401 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.219 3.804 3.421 1.00 0.00 N ATOM 1086 CA ILE A 68 -1.946 3.803 4.108 1.00 0.00 C ATOM 1087 C ILE A 68 -1.323 2.419 4.116 1.00 0.00 C ATOM 1088 O ILE A 68 -2.012 1.412 4.274 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.079 4.310 5.560 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.218 3.587 6.286 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.294 5.815 5.578 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.408 4.045 7.715 1.00 0.00 C ATOM 0 H ILE A 68 -3.969 3.327 3.922 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.297 4.484 3.558 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.151 4.090 6.088 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.146 3.743 5.736 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.020 2.515 6.279 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.386 6.157 6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.445 6.309 5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.205 6.059 5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.230 3.492 8.168 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.494 3.863 8.280 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.637 5.111 7.728 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.022 2.380 3.922 1.00 0.00 N ATOM 1105 CA CYS A 69 0.717 1.144 4.015 1.00 0.00 C ATOM 1106 C CYS A 69 1.300 1.012 5.414 1.00 0.00 C ATOM 1107 O CYS A 69 1.674 2.008 6.040 1.00 0.00 O ATOM 1108 CB CYS A 69 1.825 1.096 2.966 1.00 0.00 C ATOM 1109 SG CYS A 69 2.827 -0.403 3.040 1.00 0.00 S ATOM 0 H CYS A 69 0.546 3.197 3.698 1.00 0.00 H new ATOM 0 HA CYS A 69 0.042 0.309 3.825 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.379 1.176 1.975 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.473 1.963 3.095 1.00 0.00 H new ATOM 0 HG CYS A 69 2.065 -1.443 2.872 1.00 0.00 H new ATOM 1115 N THR A 70 1.361 -0.209 5.905 1.00 0.00 N ATOM 1116 CA THR A 70 1.812 -0.459 7.258 1.00 0.00 C ATOM 1117 C THR A 70 3.026 -1.377 7.254 1.00 0.00 C ATOM 1118 O THR A 70 3.488 -1.830 8.301 1.00 0.00 O ATOM 1119 CB THR A 70 0.662 -1.077 8.093 1.00 0.00 C ATOM 1120 OG1 THR A 70 1.072 -1.311 9.446 1.00 0.00 O ATOM 1121 CG2 THR A 70 0.175 -2.380 7.465 1.00 0.00 C ATOM 0 H THR A 70 1.103 -1.047 5.384 1.00 0.00 H new ATOM 0 HA THR A 70 2.104 0.488 7.713 1.00 0.00 H new ATOM 0 HB THR A 70 -0.160 -0.361 8.100 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.020 -1.560 9.462 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.632 -2.795 8.068 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.190 -2.184 6.457 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.999 -3.093 7.421 1.00 0.00 H new ATOM 1129 N LYS A 71 3.560 -1.629 6.069 1.00 0.00 N ATOM 1130 CA LYS A 71 4.752 -2.436 5.955 1.00 0.00 C ATOM 1131 C LYS A 71 5.962 -1.527 5.863 1.00 0.00 C ATOM 1132 O LYS A 71 5.973 -0.563 5.101 1.00 0.00 O ATOM 1133 CB LYS A 71 4.693 -3.358 4.733 1.00 0.00 C ATOM 1134 CG LYS A 71 5.783 -4.420 4.737 1.00 0.00 C ATOM 1135 CD LYS A 71 5.607 -5.380 5.904 1.00 0.00 C ATOM 1136 CE LYS A 71 6.784 -6.334 6.049 1.00 0.00 C ATOM 1137 NZ LYS A 71 8.031 -5.633 6.464 1.00 0.00 N ATOM 0 H LYS A 71 3.187 -1.287 5.183 1.00 0.00 H new ATOM 0 HA LYS A 71 4.827 -3.068 6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.719 -3.845 4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.781 -2.758 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.758 -4.974 3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.761 -3.942 4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.488 -4.810 6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.691 -5.955 5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.539 -7.101 6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.955 -6.844 5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.657 -5.521 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.792 -4.696 6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.516 -6.192 7.195 1.00 0.00 H new ATOM 1151 N ASN A 72 6.961 -1.822 6.664 1.00 0.00 N ATOM 1152 CA ASN A 72 8.189 -1.054 6.667 1.00 0.00 C ATOM 1153 C ASN A 72 9.182 -1.663 5.691 1.00 0.00 C ATOM 1154 O ASN A 72 9.602 -2.809 5.855 1.00 0.00 O ATOM 1155 CB ASN A 72 8.771 -1.015 8.077 1.00 0.00 C ATOM 1156 CG ASN A 72 7.987 -0.109 9.009 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.820 -0.559 9.452 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 8.398 1.019 9.282 1.00 0.00 N flip ATOM 0 H ASN A 72 6.947 -2.596 7.328 1.00 0.00 H new ATOM 0 HA ASN A 72 7.978 -0.032 6.351 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.787 -2.025 8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.805 -0.674 8.030 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.300 1.333 8.925 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.836 1.639 9.865 1.00 0.00 H new ATOM 1165 N LEU A 73 9.532 -0.906 4.662 1.00 0.00 N ATOM 1166 CA LEU A 73 10.454 -1.389 3.645 1.00 0.00 C ATOM 1167 C LEU A 73 11.870 -0.911 3.936 1.00 0.00 C ATOM 1168 O LEU A 73 12.114 0.294 4.006 1.00 0.00 O ATOM 1169 CB LEU A 73 10.044 -0.908 2.242 1.00 0.00 C ATOM 1170 CG LEU A 73 8.722 -1.452 1.684 1.00 0.00 C ATOM 1171 CD1 LEU A 73 7.527 -0.778 2.336 1.00 0.00 C ATOM 1172 CD2 LEU A 73 8.673 -1.269 0.174 1.00 0.00 C ATOM 0 H LEU A 73 9.192 0.044 4.509 1.00 0.00 H new ATOM 0 HA LEU A 73 10.420 -2.478 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.983 0.180 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.841 -1.171 1.546 1.00 0.00 H new ATOM 0 HG LEU A 73 8.673 -2.516 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.607 -1.186 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.549 -0.958 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.567 0.295 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.730 -1.659 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.752 -0.209 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.502 -1.808 -0.285 1.00 0.00 H new ATOM 1184 N PRO A 74 12.818 -1.841 4.136 1.00 0.00 N ATOM 1185 CA PRO A 74 14.235 -1.498 4.255 1.00 0.00 C ATOM 1186 C PRO A 74 14.714 -0.748 3.017 1.00 0.00 C ATOM 1187 O PRO A 74 14.590 -1.244 1.895 1.00 0.00 O ATOM 1188 CB PRO A 74 14.944 -2.851 4.389 1.00 0.00 C ATOM 1189 CG PRO A 74 13.939 -3.875 3.978 1.00 0.00 C ATOM 1190 CD PRO A 74 12.590 -3.287 4.275 1.00 0.00 C ATOM 0 HA PRO A 74 14.437 -0.842 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 74 15.829 -2.894 3.754 1.00 0.00 H new ATOM 0 HB3 PRO A 74 15.278 -3.019 5.413 1.00 0.00 H new ATOM 0 HG2 PRO A 74 14.035 -4.110 2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 74 14.086 -4.806 4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.832 -3.644 3.578 1.00 0.00 H new ATOM 0 HD3 PRO A 74 12.249 -3.547 5.277 1.00 0.00 H new