USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 617 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 Single : A 4 SER OG : rot -25:sc= 0.46 USER MOD Single : A 10 SER OG : rot -170:sc= -1.47 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.74! C(o=-1.7!,f=-9!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.5 X(o=-2.5,f=-2.9!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -109:sc= -0.513 (180deg=-2.73!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 47 LYS NZ :NH3+ -138:sc= -1.63 (180deg=-3.76!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -28:sc= 1.22 USER MOD Single : A 51 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.62) USER MOD Single : A 62 SER OG : rot 180:sc= -0.613 USER MOD Single : A 67 ASN : amide:sc= -0.0876 X(o=-0.088,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 0.281 (180deg=0.107) USER MOD Single : A 72 MET CE :methyl -138:sc= -1.02 (180deg=-3.49!) USER MOD Single : A 76 ASN : amide:sc= -6! C(o=-6!,f=-17!) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.0442 F(o=-1.6!,f=-0.044) USER MOD Single : A 79 LYS NZ :NH3+ 150:sc= -0.194 (180deg=-1.29!) USER MOD Single : A 82 ASN : amide:sc= -1.26! X(o=-1.3!,f=-1.2) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N SER A 4 3.930 -7.140 -5.861 1.00 31.10 N ATOM 42 CA SER A 4 3.960 -8.582 -5.683 1.00 10.12 C ATOM 43 C SER A 4 2.965 -8.996 -4.596 1.00 43.33 C ATOM 44 O SER A 4 2.623 -8.197 -3.726 1.00 5.13 O ATOM 45 CB SER A 4 5.367 -9.063 -5.325 1.00 64.41 C ATOM 46 OG SER A 4 6.102 -8.078 -4.604 1.00 14.32 O ATOM 0 HA SER A 4 3.674 -9.049 -6.625 1.00 10.12 H new ATOM 0 HB2 SER A 4 5.298 -9.972 -4.728 1.00 64.41 H new ATOM 0 HB3 SER A 4 5.905 -9.321 -6.237 1.00 64.41 H new ATOM 0 HG SER A 4 5.752 -7.188 -4.817 1.00 14.32 H new ATOM 52 N ILE A 5 2.529 -10.244 -4.683 1.00 12.32 N ATOM 53 CA ILE A 5 1.580 -10.773 -3.718 1.00 22.30 C ATOM 54 C ILE A 5 1.986 -12.200 -3.341 1.00 15.31 C ATOM 55 O ILE A 5 2.574 -12.916 -4.149 1.00 42.24 O ATOM 56 CB ILE A 5 0.152 -10.661 -4.254 1.00 74.32 C ATOM 57 CG1 ILE A 5 -0.392 -9.242 -4.074 1.00 61.42 C ATOM 58 CG2 ILE A 5 -0.759 -11.710 -3.612 1.00 1.23 C ATOM 59 CD1 ILE A 5 -1.576 -8.986 -5.009 1.00 64.01 C ATOM 0 H ILE A 5 2.815 -10.904 -5.406 1.00 12.32 H new ATOM 0 HA ILE A 5 1.598 -10.183 -2.802 1.00 22.30 H new ATOM 0 HB ILE A 5 0.173 -10.864 -5.325 1.00 74.32 H new ATOM 0 HG12 ILE A 5 -0.703 -9.096 -3.039 1.00 61.42 H new ATOM 0 HG13 ILE A 5 0.398 -8.518 -4.275 1.00 61.42 H new ATOM 0 HG21 ILE A 5 -1.768 -11.608 -4.011 1.00 1.23 H new ATOM 0 HG22 ILE A 5 -0.379 -12.707 -3.835 1.00 1.23 H new ATOM 0 HG23 ILE A 5 -0.779 -11.563 -2.532 1.00 1.23 H new ATOM 0 HD11 ILE A 5 -1.944 -7.971 -4.861 1.00 64.01 H new ATOM 0 HD12 ILE A 5 -1.256 -9.109 -6.044 1.00 64.01 H new ATOM 0 HD13 ILE A 5 -2.373 -9.696 -4.789 1.00 64.01 H new ATOM 71 N LEU A 6 1.654 -12.570 -2.113 1.00 2.33 N ATOM 72 CA LEU A 6 1.976 -13.898 -1.619 1.00 3.34 C ATOM 73 C LEU A 6 0.714 -14.762 -1.633 1.00 22.43 C ATOM 74 O LEU A 6 -0.372 -14.287 -1.307 1.00 12.43 O ATOM 75 CB LEU A 6 2.647 -13.811 -0.246 1.00 51.31 C ATOM 76 CG LEU A 6 3.428 -15.049 0.199 1.00 73.04 C ATOM 77 CD1 LEU A 6 4.897 -14.948 -0.214 1.00 5.32 C ATOM 78 CD2 LEU A 6 3.269 -15.287 1.702 1.00 42.52 C ATOM 0 H LEU A 6 1.165 -11.973 -1.445 1.00 2.33 H new ATOM 0 HA LEU A 6 2.702 -14.382 -2.273 1.00 3.34 H new ATOM 0 HB2 LEU A 6 3.327 -12.959 -0.249 1.00 51.31 H new ATOM 0 HB3 LEU A 6 1.879 -13.603 0.499 1.00 51.31 H new ATOM 0 HG LEU A 6 3.010 -15.918 -0.310 1.00 73.04 H new ATOM 0 HD11 LEU A 6 5.429 -15.841 0.114 1.00 5.32 H new ATOM 0 HD12 LEU A 6 4.965 -14.863 -1.299 1.00 5.32 H new ATOM 0 HD13 LEU A 6 5.345 -14.068 0.247 1.00 5.32 H new ATOM 0 HD21 LEU A 6 3.834 -16.173 1.992 1.00 42.52 H new ATOM 0 HD22 LEU A 6 3.644 -14.422 2.249 1.00 42.52 H new ATOM 0 HD23 LEU A 6 2.215 -15.436 1.937 1.00 42.52 H new ATOM 90 N PHE A 7 0.900 -16.018 -2.014 1.00 12.33 N ATOM 91 CA PHE A 7 -0.210 -16.953 -2.075 1.00 34.24 C ATOM 92 C PHE A 7 0.007 -18.125 -1.115 1.00 72.11 C ATOM 93 O PHE A 7 1.023 -18.813 -1.190 1.00 65.33 O ATOM 94 CB PHE A 7 -0.268 -17.487 -3.507 1.00 43.44 C ATOM 95 CG PHE A 7 -1.215 -16.709 -4.423 1.00 75.32 C ATOM 96 CD1 PHE A 7 -1.482 -15.400 -4.172 1.00 11.41 C ATOM 97 CD2 PHE A 7 -1.791 -17.328 -5.489 1.00 33.23 C ATOM 98 CE1 PHE A 7 -2.362 -14.678 -5.022 1.00 24.31 C ATOM 99 CE2 PHE A 7 -2.671 -16.607 -6.339 1.00 2.14 C ATOM 100 CZ PHE A 7 -2.937 -15.297 -6.087 1.00 74.14 C ATOM 0 H PHE A 7 1.803 -16.409 -2.283 1.00 12.33 H new ATOM 0 HA PHE A 7 -1.135 -16.451 -1.791 1.00 34.24 H new ATOM 0 HB2 PHE A 7 0.735 -17.463 -3.934 1.00 43.44 H new ATOM 0 HB3 PHE A 7 -0.579 -18.531 -3.482 1.00 43.44 H new ATOM 0 HD1 PHE A 7 -1.025 -14.909 -3.326 1.00 11.41 H new ATOM 0 HD2 PHE A 7 -1.579 -18.368 -5.689 1.00 33.23 H new ATOM 0 HE1 PHE A 7 -2.574 -13.638 -4.822 1.00 24.31 H new ATOM 0 HE2 PHE A 7 -3.129 -17.098 -7.185 1.00 2.14 H new ATOM 0 HZ PHE A 7 -3.606 -14.748 -6.734 1.00 74.14 H new ATOM 110 N ARG A 8 -0.965 -18.316 -0.235 1.00 52.13 N ATOM 111 CA ARG A 8 -0.893 -19.393 0.738 1.00 51.42 C ATOM 112 C ARG A 8 -1.627 -20.630 0.216 1.00 2.31 C ATOM 113 O ARG A 8 -2.831 -20.775 0.423 1.00 65.10 O ATOM 114 CB ARG A 8 -1.507 -18.970 2.074 1.00 53.42 C ATOM 115 CG ARG A 8 -0.625 -17.939 2.781 1.00 51.42 C ATOM 116 CD ARG A 8 -0.976 -17.843 4.267 1.00 74.41 C ATOM 117 NE ARG A 8 -0.316 -18.937 5.014 1.00 32.21 N ATOM 118 CZ ARG A 8 -0.292 -19.026 6.361 1.00 63.51 C ATOM 119 NH1 ARG A 8 -0.891 -18.086 7.121 1.00 54.30 N ATOM 120 NH2 ARG A 8 0.328 -20.047 6.923 1.00 32.44 N ATOM 0 H ARG A 8 -1.807 -17.743 -0.175 1.00 52.13 H new ATOM 0 HA ARG A 8 0.160 -19.630 0.893 1.00 51.42 H new ATOM 0 HB2 ARG A 8 -2.499 -18.551 1.906 1.00 53.42 H new ATOM 0 HB3 ARG A 8 -1.634 -19.844 2.713 1.00 53.42 H new ATOM 0 HG2 ARG A 8 0.424 -18.214 2.669 1.00 51.42 H new ATOM 0 HG3 ARG A 8 -0.751 -16.964 2.310 1.00 51.42 H new ATOM 0 HD2 ARG A 8 -0.659 -16.878 4.663 1.00 74.41 H new ATOM 0 HD3 ARG A 8 -2.056 -17.902 4.399 1.00 74.41 H new ATOM 0 HE ARG A 8 0.150 -19.669 4.478 1.00 32.21 H new ATOM 0 HH11 ARG A 8 -1.367 -17.300 6.679 1.00 54.30 H new ATOM 0 HH12 ARG A 8 -0.868 -18.161 8.138 1.00 54.30 H new ATOM 0 HH21 ARG A 8 0.779 -20.753 6.341 1.00 32.44 H new ATOM 0 HH22 ARG A 8 0.356 -20.130 7.939 1.00 32.44 H new ATOM 133 N ILE A 9 -0.871 -21.490 -0.451 1.00 4.55 N ATOM 134 CA ILE A 9 -1.434 -22.709 -1.003 1.00 60.45 C ATOM 135 C ILE A 9 -1.634 -23.729 0.120 1.00 42.31 C ATOM 136 O ILE A 9 -0.674 -24.339 0.587 1.00 4.03 O ATOM 137 CB ILE A 9 -0.569 -23.225 -2.155 1.00 63.21 C ATOM 138 CG1 ILE A 9 -0.506 -22.205 -3.293 1.00 51.25 C ATOM 139 CG2 ILE A 9 -1.056 -24.593 -2.637 1.00 53.13 C ATOM 140 CD1 ILE A 9 0.692 -21.268 -3.125 1.00 14.24 C ATOM 0 H ILE A 9 0.127 -21.366 -0.621 1.00 4.55 H new ATOM 0 HA ILE A 9 -2.416 -22.513 -1.434 1.00 60.45 H new ATOM 0 HB ILE A 9 0.448 -23.358 -1.785 1.00 63.21 H new ATOM 0 HG12 ILE A 9 -0.434 -22.725 -4.248 1.00 51.25 H new ATOM 0 HG13 ILE A 9 -1.427 -21.623 -3.315 1.00 51.25 H new ATOM 0 HG21 ILE A 9 -0.424 -24.936 -3.456 1.00 53.13 H new ATOM 0 HG22 ILE A 9 -1.005 -25.307 -1.815 1.00 53.13 H new ATOM 0 HG23 ILE A 9 -2.086 -24.511 -2.984 1.00 53.13 H new ATOM 0 HD11 ILE A 9 0.713 -20.553 -3.947 1.00 14.24 H new ATOM 0 HD12 ILE A 9 0.605 -20.732 -2.180 1.00 14.24 H new ATOM 0 HD13 ILE A 9 1.613 -21.851 -3.128 1.00 14.24 H new ATOM 152 N SER A 10 -2.887 -23.881 0.521 1.00 73.51 N ATOM 153 CA SER A 10 -3.225 -24.816 1.581 1.00 74.33 C ATOM 154 C SER A 10 -3.878 -26.066 0.987 1.00 31.42 C ATOM 155 O SER A 10 -4.779 -25.965 0.155 1.00 23.54 O ATOM 156 CB SER A 10 -4.155 -24.170 2.609 1.00 11.35 C ATOM 157 OG SER A 10 -4.338 -24.995 3.757 1.00 72.13 O ATOM 0 H SER A 10 -3.681 -23.373 0.131 1.00 73.51 H new ATOM 0 HA SER A 10 -2.305 -25.101 2.092 1.00 74.33 H new ATOM 0 HB2 SER A 10 -3.744 -23.208 2.916 1.00 11.35 H new ATOM 0 HB3 SER A 10 -5.122 -23.971 2.148 1.00 11.35 H new ATOM 0 HG SER A 10 -5.055 -24.626 4.314 1.00 72.13 H new ATOM 225 N ILE A 15 -0.059 -25.643 4.804 1.00 25.04 N ATOM 226 CA ILE A 15 -0.198 -24.356 4.144 1.00 72.31 C ATOM 227 C ILE A 15 1.185 -23.842 3.740 1.00 22.51 C ATOM 228 O ILE A 15 2.069 -23.701 4.583 1.00 3.35 O ATOM 229 CB ILE A 15 -0.982 -23.383 5.027 1.00 71.23 C ATOM 230 CG1 ILE A 15 -2.216 -24.060 5.628 1.00 42.04 C ATOM 231 CG2 ILE A 15 -1.344 -22.113 4.255 1.00 50.41 C ATOM 232 CD1 ILE A 15 -3.366 -23.063 5.785 1.00 60.44 C ATOM 0 HA ILE A 15 -0.780 -24.459 3.228 1.00 72.31 H new ATOM 0 HB ILE A 15 -0.343 -23.084 5.858 1.00 71.23 H new ATOM 0 HG12 ILE A 15 -2.530 -24.885 4.989 1.00 42.04 H new ATOM 0 HG13 ILE A 15 -1.965 -24.487 6.599 1.00 42.04 H new ATOM 0 HG21 ILE A 15 -1.901 -21.438 4.905 1.00 50.41 H new ATOM 0 HG22 ILE A 15 -0.432 -21.621 3.916 1.00 50.41 H new ATOM 0 HG23 ILE A 15 -1.957 -22.374 3.392 1.00 50.41 H new ATOM 0 HD11 ILE A 15 -4.231 -23.569 6.214 1.00 60.44 H new ATOM 0 HD12 ILE A 15 -3.057 -22.252 6.444 1.00 60.44 H new ATOM 0 HD13 ILE A 15 -3.631 -22.657 4.809 1.00 60.44 H new ATOM 244 N PHE A 16 1.329 -23.578 2.450 1.00 44.40 N ATOM 245 CA PHE A 16 2.590 -23.083 1.924 1.00 42.50 C ATOM 246 C PHE A 16 2.406 -21.723 1.246 1.00 74.41 C ATOM 247 O PHE A 16 1.345 -21.441 0.691 1.00 34.51 O ATOM 248 CB PHE A 16 3.070 -24.097 0.884 1.00 2.01 C ATOM 249 CG PHE A 16 3.244 -25.515 1.432 1.00 2.12 C ATOM 250 CD1 PHE A 16 4.179 -25.765 2.388 1.00 44.44 C ATOM 251 CD2 PHE A 16 2.464 -26.525 0.964 1.00 33.40 C ATOM 252 CE1 PHE A 16 4.341 -27.080 2.896 1.00 31.51 C ATOM 253 CE2 PHE A 16 2.625 -27.841 1.473 1.00 62.34 C ATOM 254 CZ PHE A 16 3.560 -28.091 2.428 1.00 65.10 C ATOM 0 H PHE A 16 0.594 -23.697 1.753 1.00 44.40 H new ATOM 0 HA PHE A 16 3.308 -22.960 2.735 1.00 42.50 H new ATOM 0 HB2 PHE A 16 2.357 -24.122 0.060 1.00 2.01 H new ATOM 0 HB3 PHE A 16 4.021 -23.758 0.473 1.00 2.01 H new ATOM 0 HD1 PHE A 16 4.798 -24.962 2.760 1.00 44.44 H new ATOM 0 HD2 PHE A 16 1.722 -26.327 0.205 1.00 33.40 H new ATOM 0 HE1 PHE A 16 5.084 -27.278 3.654 1.00 31.51 H new ATOM 0 HE2 PHE A 16 2.005 -28.643 1.101 1.00 62.34 H new ATOM 0 HZ PHE A 16 3.683 -29.092 2.815 1.00 65.10 H new ATOM 264 N THR A 17 3.455 -20.917 1.313 1.00 71.23 N ATOM 265 CA THR A 17 3.422 -19.594 0.712 1.00 32.51 C ATOM 266 C THR A 17 4.051 -19.626 -0.682 1.00 73.12 C ATOM 267 O THR A 17 4.904 -20.466 -0.963 1.00 73.55 O ATOM 268 CB THR A 17 4.115 -18.623 1.670 1.00 60.15 C ATOM 269 OG1 THR A 17 5.375 -19.235 1.933 1.00 51.44 O ATOM 270 CG2 THR A 17 3.435 -18.566 3.039 1.00 4.32 C ATOM 0 H THR A 17 4.333 -21.154 1.774 1.00 71.23 H new ATOM 0 HA THR A 17 2.398 -19.252 0.564 1.00 32.51 H new ATOM 0 HB THR A 17 4.128 -17.626 1.230 1.00 60.15 H new ATOM 0 HG1 THR A 17 5.891 -18.671 2.546 1.00 51.44 H new ATOM 0 HG21 THR A 17 3.966 -17.863 3.680 1.00 4.32 H new ATOM 0 HG22 THR A 17 2.402 -18.239 2.919 1.00 4.32 H new ATOM 0 HG23 THR A 17 3.451 -19.556 3.495 1.00 4.32 H new ATOM 278 N LEU A 18 3.605 -18.700 -1.518 1.00 62.04 N ATOM 279 CA LEU A 18 4.114 -18.611 -2.877 1.00 33.23 C ATOM 280 C LEU A 18 4.008 -17.164 -3.362 1.00 64.25 C ATOM 281 O LEU A 18 2.915 -16.681 -3.653 1.00 61.45 O ATOM 282 CB LEU A 18 3.401 -19.617 -3.783 1.00 30.45 C ATOM 283 CG LEU A 18 3.881 -19.671 -5.234 1.00 44.32 C ATOM 284 CD1 LEU A 18 3.210 -18.582 -6.074 1.00 64.10 C ATOM 285 CD2 LEU A 18 5.408 -19.594 -5.310 1.00 14.01 C ATOM 0 H LEU A 18 2.897 -18.005 -1.281 1.00 62.04 H new ATOM 0 HA LEU A 18 5.169 -18.882 -2.907 1.00 33.23 H new ATOM 0 HB2 LEU A 18 3.512 -20.610 -3.347 1.00 30.45 H new ATOM 0 HB3 LEU A 18 2.336 -19.385 -3.782 1.00 30.45 H new ATOM 0 HG LEU A 18 3.586 -20.632 -5.656 1.00 44.32 H new ATOM 0 HD11 LEU A 18 3.569 -18.642 -7.102 1.00 64.10 H new ATOM 0 HD12 LEU A 18 2.129 -18.724 -6.058 1.00 64.10 H new ATOM 0 HD13 LEU A 18 3.453 -17.603 -5.662 1.00 64.10 H new ATOM 0 HD21 LEU A 18 5.723 -19.634 -6.353 1.00 14.01 H new ATOM 0 HD22 LEU A 18 5.748 -18.659 -4.864 1.00 14.01 H new ATOM 0 HD23 LEU A 18 5.842 -20.434 -4.767 1.00 14.01 H new ATOM 297 N LEU A 19 5.160 -16.513 -3.435 1.00 52.30 N ATOM 298 CA LEU A 19 5.211 -15.131 -3.881 1.00 12.45 C ATOM 299 C LEU A 19 4.837 -15.063 -5.362 1.00 54.25 C ATOM 300 O LEU A 19 5.675 -15.302 -6.230 1.00 22.42 O ATOM 301 CB LEU A 19 6.575 -14.515 -3.562 1.00 32.01 C ATOM 302 CG LEU A 19 6.688 -13.001 -3.751 1.00 41.03 C ATOM 303 CD1 LEU A 19 6.076 -12.568 -5.085 1.00 1.12 C ATOM 304 CD2 LEU A 19 6.071 -12.253 -2.568 1.00 5.33 C ATOM 0 H LEU A 19 6.065 -16.917 -3.193 1.00 52.30 H new ATOM 0 HA LEU A 19 4.481 -14.529 -3.340 1.00 12.45 H new ATOM 0 HB2 LEU A 19 6.825 -14.752 -2.528 1.00 32.01 H new ATOM 0 HB3 LEU A 19 7.325 -14.996 -4.190 1.00 32.01 H new ATOM 0 HG LEU A 19 7.746 -12.739 -3.781 1.00 41.03 H new ATOM 0 HD11 LEU A 19 6.169 -11.488 -5.195 1.00 1.12 H new ATOM 0 HD12 LEU A 19 6.600 -13.062 -5.903 1.00 1.12 H new ATOM 0 HD13 LEU A 19 5.022 -12.845 -5.109 1.00 1.12 H new ATOM 0 HD21 LEU A 19 6.165 -11.179 -2.728 1.00 5.33 H new ATOM 0 HD22 LEU A 19 5.017 -12.516 -2.481 1.00 5.33 H new ATOM 0 HD23 LEU A 19 6.591 -12.530 -1.651 1.00 5.33 H new ATOM 316 N VAL A 20 3.576 -14.735 -5.607 1.00 64.23 N ATOM 317 CA VAL A 20 3.081 -14.633 -6.969 1.00 53.14 C ATOM 318 C VAL A 20 2.983 -13.157 -7.363 1.00 24.45 C ATOM 319 O VAL A 20 2.124 -12.433 -6.862 1.00 22.40 O ATOM 320 CB VAL A 20 1.749 -15.375 -7.099 1.00 21.21 C ATOM 321 CG1 VAL A 20 0.780 -14.961 -5.989 1.00 65.23 C ATOM 322 CG2 VAL A 20 1.129 -15.152 -8.480 1.00 21.13 C ATOM 0 H VAL A 20 2.883 -14.537 -4.885 1.00 64.23 H new ATOM 0 HA VAL A 20 3.773 -15.110 -7.663 1.00 53.14 H new ATOM 0 HB VAL A 20 1.948 -16.441 -6.990 1.00 21.21 H new ATOM 0 HG11 VAL A 20 -0.159 -15.503 -6.105 1.00 65.23 H new ATOM 0 HG12 VAL A 20 1.217 -15.195 -5.018 1.00 65.23 H new ATOM 0 HG13 VAL A 20 0.591 -13.889 -6.052 1.00 65.23 H new ATOM 0 HG21 VAL A 20 0.183 -15.690 -8.546 1.00 21.13 H new ATOM 0 HG22 VAL A 20 0.952 -14.087 -8.632 1.00 21.13 H new ATOM 0 HG23 VAL A 20 1.810 -15.519 -9.248 1.00 21.13 H new ATOM 332 N GLU A 21 3.876 -12.756 -8.255 1.00 41.23 N ATOM 333 CA GLU A 21 3.902 -11.380 -8.721 1.00 54.24 C ATOM 334 C GLU A 21 2.528 -10.977 -9.261 1.00 51.42 C ATOM 335 O GLU A 21 1.663 -11.827 -9.466 1.00 24.31 O ATOM 336 CB GLU A 21 4.987 -11.180 -9.781 1.00 2.22 C ATOM 337 CG GLU A 21 6.338 -10.875 -9.131 1.00 2.13 C ATOM 338 CD GLU A 21 6.530 -9.368 -8.945 1.00 33.32 C ATOM 339 OE1 GLU A 21 5.802 -8.571 -9.555 1.00 14.04 O ATOM 340 OE2 GLU A 21 7.474 -9.035 -8.132 1.00 3.11 O ATOM 0 H GLU A 21 4.587 -13.360 -8.668 1.00 41.23 H new ATOM 0 HA GLU A 21 4.143 -10.735 -7.876 1.00 54.24 H new ATOM 0 HB2 GLU A 21 5.069 -12.076 -10.396 1.00 2.22 H new ATOM 0 HB3 GLU A 21 4.706 -10.362 -10.445 1.00 2.22 H new ATOM 0 HG2 GLU A 21 6.402 -11.375 -8.165 1.00 2.13 H new ATOM 0 HG3 GLU A 21 7.142 -11.274 -9.750 1.00 2.13 H new ATOM 348 N LYS A 22 2.370 -9.679 -9.476 1.00 54.13 N ATOM 349 CA LYS A 22 1.116 -9.153 -9.988 1.00 53.33 C ATOM 350 C LYS A 22 1.150 -9.163 -11.518 1.00 0.21 C ATOM 351 O LYS A 22 0.298 -8.556 -12.166 1.00 23.15 O ATOM 352 CB LYS A 22 0.828 -7.775 -9.389 1.00 2.33 C ATOM 353 CG LYS A 22 0.944 -7.806 -7.863 1.00 52.43 C ATOM 354 CD LYS A 22 0.723 -6.413 -7.269 1.00 23.35 C ATOM 355 CE LYS A 22 0.588 -6.483 -5.746 1.00 53.31 C ATOM 356 NZ LYS A 22 0.647 -5.126 -5.158 1.00 55.22 N ATOM 0 H LYS A 22 3.089 -8.976 -9.305 1.00 54.13 H new ATOM 0 HA LYS A 22 0.284 -9.788 -9.683 1.00 53.33 H new ATOM 0 HB2 LYS A 22 1.527 -7.044 -9.796 1.00 2.33 H new ATOM 0 HB3 LYS A 22 -0.173 -7.452 -9.675 1.00 2.33 H new ATOM 0 HG2 LYS A 22 0.211 -8.501 -7.453 1.00 52.43 H new ATOM 0 HG3 LYS A 22 1.929 -8.176 -7.577 1.00 52.43 H new ATOM 0 HD2 LYS A 22 1.557 -5.764 -7.535 1.00 23.35 H new ATOM 0 HD3 LYS A 22 -0.175 -5.969 -7.698 1.00 23.35 H new ATOM 0 HE2 LYS A 22 -0.355 -6.960 -5.480 1.00 53.31 H new ATOM 0 HE3 LYS A 22 1.385 -7.100 -5.332 1.00 53.31 H new ATOM 0 HZ1 LYS A 22 0.554 -5.191 -4.124 1.00 55.22 H new ATOM 0 HZ2 LYS A 22 1.558 -4.684 -5.396 1.00 55.22 H new ATOM 0 HZ3 LYS A 22 -0.129 -4.548 -5.540 1.00 55.22 H new ATOM 369 N VAL A 23 2.144 -9.859 -12.051 1.00 55.51 N ATOM 370 CA VAL A 23 2.300 -9.956 -13.492 1.00 41.44 C ATOM 371 C VAL A 23 1.981 -11.383 -13.941 1.00 21.33 C ATOM 372 O VAL A 23 1.579 -11.604 -15.082 1.00 63.20 O ATOM 373 CB VAL A 23 3.704 -9.501 -13.898 1.00 73.21 C ATOM 374 CG1 VAL A 23 4.738 -9.913 -12.849 1.00 20.13 C ATOM 375 CG2 VAL A 23 4.078 -10.043 -15.279 1.00 74.31 C ATOM 0 H VAL A 23 2.849 -10.361 -11.511 1.00 55.51 H new ATOM 0 HA VAL A 23 1.598 -9.292 -13.997 1.00 41.44 H new ATOM 0 HB VAL A 23 3.700 -8.413 -13.955 1.00 73.21 H new ATOM 0 HG11 VAL A 23 5.727 -9.578 -13.162 1.00 20.13 H new ATOM 0 HG12 VAL A 23 4.486 -9.457 -11.891 1.00 20.13 H new ATOM 0 HG13 VAL A 23 4.739 -10.998 -12.745 1.00 20.13 H new ATOM 0 HG21 VAL A 23 5.080 -9.705 -15.543 1.00 74.31 H new ATOM 0 HG22 VAL A 23 4.056 -11.133 -15.261 1.00 74.31 H new ATOM 0 HG23 VAL A 23 3.365 -9.678 -16.018 1.00 74.31 H new ATOM 385 N TRP A 24 2.172 -12.315 -13.019 1.00 21.53 N ATOM 386 CA TRP A 24 1.910 -13.716 -13.305 1.00 13.33 C ATOM 387 C TRP A 24 0.429 -13.855 -13.665 1.00 63.41 C ATOM 388 O TRP A 24 -0.412 -14.044 -12.788 1.00 2.14 O ATOM 389 CB TRP A 24 2.325 -14.603 -12.129 1.00 40.53 C ATOM 390 CG TRP A 24 3.800 -14.475 -11.744 1.00 42.31 C ATOM 391 CD1 TRP A 24 4.724 -13.662 -12.274 1.00 51.54 C ATOM 392 CD2 TRP A 24 4.488 -15.220 -10.717 1.00 44.43 C ATOM 393 NE1 TRP A 24 5.952 -13.827 -11.667 1.00 62.22 N ATOM 394 CE2 TRP A 24 5.804 -14.805 -10.690 1.00 42.21 C ATOM 395 CE3 TRP A 24 4.015 -16.211 -9.840 1.00 74.22 C ATOM 396 CZ2 TRP A 24 6.755 -15.327 -9.805 1.00 72.40 C ATOM 397 CZ3 TRP A 24 4.977 -16.723 -8.962 1.00 20.51 C ATOM 398 CH2 TRP A 24 6.305 -16.317 -8.922 1.00 45.41 C ATOM 0 H TRP A 24 2.505 -12.128 -12.073 1.00 21.53 H new ATOM 0 HA TRP A 24 2.508 -14.056 -14.151 1.00 13.33 H new ATOM 0 HB2 TRP A 24 1.711 -14.353 -11.264 1.00 40.53 H new ATOM 0 HB3 TRP A 24 2.114 -15.643 -12.379 1.00 40.53 H new ATOM 0 HD1 TRP A 24 4.532 -12.965 -13.076 1.00 51.54 H new ATOM 0 HE1 TRP A 24 6.810 -13.324 -11.893 1.00 62.22 H new ATOM 0 HE3 TRP A 24 2.990 -16.551 -9.843 1.00 74.22 H new ATOM 0 HZ2 TRP A 24 7.779 -14.985 -9.803 1.00 72.40 H new ATOM 0 HZ3 TRP A 24 4.665 -17.488 -8.266 1.00 20.51 H new ATOM 0 HH2 TRP A 24 6.987 -16.763 -8.213 1.00 45.41 H new ATOM 409 N ASN A 25 0.156 -13.757 -14.958 1.00 21.42 N ATOM 410 CA ASN A 25 -1.208 -13.870 -15.445 1.00 71.41 C ATOM 411 C ASN A 25 -1.838 -15.151 -14.893 1.00 42.12 C ATOM 412 O ASN A 25 -1.186 -15.908 -14.175 1.00 52.30 O ATOM 413 CB ASN A 25 -1.243 -13.947 -16.973 1.00 2.03 C ATOM 414 CG ASN A 25 -0.181 -14.915 -17.497 1.00 61.54 C ATOM 415 OD1 ASN A 25 0.949 -14.947 -17.038 1.00 50.01 O ATOM 416 ND2 ASN A 25 -0.605 -15.702 -18.483 1.00 13.53 N ATOM 0 H ASN A 25 0.856 -13.601 -15.683 1.00 21.42 H new ATOM 0 HA ASN A 25 -1.757 -12.988 -15.115 1.00 71.41 H new ATOM 0 HB2 ASN A 25 -2.230 -14.272 -17.302 1.00 2.03 H new ATOM 0 HB3 ASN A 25 -1.077 -12.956 -17.395 1.00 2.03 H new ATOM 0 HD21 ASN A 25 0.029 -16.383 -18.901 1.00 13.53 H new ATOM 0 HD22 ASN A 25 -1.564 -15.624 -18.821 1.00 13.53 H new ATOM 423 N PHE A 26 -3.098 -15.354 -15.250 1.00 25.23 N ATOM 424 CA PHE A 26 -3.822 -16.530 -14.799 1.00 75.11 C ATOM 425 C PHE A 26 -3.041 -17.808 -15.110 1.00 74.42 C ATOM 426 O PHE A 26 -3.086 -18.769 -14.343 1.00 64.24 O ATOM 427 CB PHE A 26 -5.148 -16.558 -15.562 1.00 51.04 C ATOM 428 CG PHE A 26 -5.805 -17.939 -15.618 1.00 13.43 C ATOM 429 CD1 PHE A 26 -5.706 -18.782 -14.555 1.00 61.04 C ATOM 430 CD2 PHE A 26 -6.489 -18.322 -16.729 1.00 21.30 C ATOM 431 CE1 PHE A 26 -6.316 -20.063 -14.607 1.00 22.33 C ATOM 432 CE2 PHE A 26 -7.099 -19.604 -16.780 1.00 42.33 C ATOM 433 CZ PHE A 26 -6.999 -20.447 -15.718 1.00 33.10 C ATOM 0 H PHE A 26 -3.635 -14.724 -15.846 1.00 25.23 H new ATOM 0 HA PHE A 26 -3.974 -16.483 -13.721 1.00 75.11 H new ATOM 0 HB2 PHE A 26 -5.839 -15.857 -15.094 1.00 51.04 H new ATOM 0 HB3 PHE A 26 -4.977 -16.207 -16.580 1.00 51.04 H new ATOM 0 HD1 PHE A 26 -5.164 -18.477 -13.672 1.00 61.04 H new ATOM 0 HD2 PHE A 26 -6.569 -17.652 -17.572 1.00 21.30 H new ATOM 0 HE1 PHE A 26 -6.237 -20.733 -13.763 1.00 22.33 H new ATOM 0 HE2 PHE A 26 -7.642 -19.909 -17.662 1.00 42.33 H new ATOM 0 HZ PHE A 26 -7.462 -21.422 -15.757 1.00 33.10 H new ATOM 443 N ASP A 27 -2.344 -17.779 -16.237 1.00 14.45 N ATOM 444 CA ASP A 27 -1.555 -18.923 -16.658 1.00 44.04 C ATOM 445 C ASP A 27 -0.356 -19.084 -15.721 1.00 51.51 C ATOM 446 O ASP A 27 -0.247 -20.083 -15.013 1.00 30.32 O ATOM 447 CB ASP A 27 -1.021 -18.730 -18.079 1.00 71.23 C ATOM 448 CG ASP A 27 -0.721 -20.024 -18.838 1.00 60.24 C ATOM 449 OD1 ASP A 27 -1.420 -21.036 -18.677 1.00 44.13 O ATOM 450 OD2 ASP A 27 0.292 -19.967 -19.635 1.00 3.42 O ATOM 0 H ASP A 27 -2.310 -16.981 -16.871 1.00 14.45 H new ATOM 0 HA ASP A 27 -2.197 -19.804 -16.629 1.00 44.04 H new ATOM 0 HB2 ASP A 27 -1.749 -18.152 -18.649 1.00 71.23 H new ATOM 0 HB3 ASP A 27 -0.109 -18.135 -18.031 1.00 71.23 H new ATOM 456 N ASP A 28 0.513 -18.084 -15.747 1.00 50.11 N ATOM 457 CA ASP A 28 1.699 -18.102 -14.909 1.00 4.45 C ATOM 458 C ASP A 28 1.299 -18.445 -13.472 1.00 74.25 C ATOM 459 O ASP A 28 2.067 -19.069 -12.742 1.00 40.20 O ATOM 460 CB ASP A 28 2.384 -16.733 -14.894 1.00 31.42 C ATOM 461 CG ASP A 28 3.301 -16.456 -16.087 1.00 34.11 C ATOM 462 OD1 ASP A 28 3.464 -17.303 -16.977 1.00 61.53 O ATOM 463 OD2 ASP A 28 3.868 -15.298 -16.081 1.00 4.35 O ATOM 0 H ASP A 28 0.419 -17.256 -16.335 1.00 50.11 H new ATOM 0 HA ASP A 28 2.386 -18.845 -15.314 1.00 4.45 H new ATOM 0 HB2 ASP A 28 1.617 -15.960 -14.858 1.00 31.42 H new ATOM 0 HB3 ASP A 28 2.968 -16.646 -13.978 1.00 31.42 H new ATOM 469 N LEU A 29 0.096 -18.023 -13.111 1.00 31.23 N ATOM 470 CA LEU A 29 -0.416 -18.278 -11.775 1.00 73.41 C ATOM 471 C LEU A 29 -0.543 -19.788 -11.562 1.00 73.22 C ATOM 472 O LEU A 29 0.091 -20.348 -10.670 1.00 24.42 O ATOM 473 CB LEU A 29 -1.721 -17.513 -11.546 1.00 73.14 C ATOM 474 CG LEU A 29 -2.681 -18.116 -10.519 1.00 74.31 C ATOM 475 CD1 LEU A 29 -1.968 -18.381 -9.192 1.00 33.13 C ATOM 476 CD2 LEU A 29 -3.918 -17.233 -10.339 1.00 63.03 C ATOM 0 H LEU A 29 -0.539 -17.507 -13.720 1.00 31.23 H new ATOM 0 HA LEU A 29 0.280 -17.907 -11.023 1.00 73.41 H new ATOM 0 HB2 LEU A 29 -1.474 -16.499 -11.231 1.00 73.14 H new ATOM 0 HB3 LEU A 29 -2.244 -17.433 -12.499 1.00 73.14 H new ATOM 0 HG LEU A 29 -3.025 -19.078 -10.898 1.00 74.31 H new ATOM 0 HD11 LEU A 29 -2.673 -18.810 -8.479 1.00 33.13 H new ATOM 0 HD12 LEU A 29 -1.146 -19.078 -9.354 1.00 33.13 H new ATOM 0 HD13 LEU A 29 -1.576 -17.444 -8.796 1.00 33.13 H new ATOM 0 HD21 LEU A 29 -4.584 -17.685 -9.604 1.00 63.03 H new ATOM 0 HD22 LEU A 29 -3.613 -16.245 -9.994 1.00 63.03 H new ATOM 0 HD23 LEU A 29 -4.440 -17.139 -11.291 1.00 63.03 H new ATOM 488 N ILE A 30 -1.368 -20.404 -12.397 1.00 3.12 N ATOM 489 CA ILE A 30 -1.586 -21.838 -12.311 1.00 51.12 C ATOM 490 C ILE A 30 -0.240 -22.560 -12.391 1.00 23.12 C ATOM 491 O ILE A 30 -0.061 -23.617 -11.787 1.00 75.15 O ATOM 492 CB ILE A 30 -2.591 -22.291 -13.372 1.00 61.13 C ATOM 493 CG1 ILE A 30 -3.979 -21.710 -13.097 1.00 11.14 C ATOM 494 CG2 ILE A 30 -2.620 -23.817 -13.484 1.00 0.25 C ATOM 495 CD1 ILE A 30 -4.426 -22.013 -11.665 1.00 71.01 C ATOM 0 H ILE A 30 -1.893 -19.936 -13.136 1.00 3.12 H new ATOM 0 HA ILE A 30 -2.031 -22.099 -11.351 1.00 51.12 H new ATOM 0 HB ILE A 30 -2.266 -21.903 -14.337 1.00 61.13 H new ATOM 0 HG12 ILE A 30 -3.964 -20.632 -13.257 1.00 11.14 H new ATOM 0 HG13 ILE A 30 -4.698 -22.127 -13.802 1.00 11.14 H new ATOM 0 HG21 ILE A 30 -3.342 -24.112 -14.245 1.00 0.25 H new ATOM 0 HG22 ILE A 30 -1.631 -24.180 -13.762 1.00 0.25 H new ATOM 0 HG23 ILE A 30 -2.908 -24.247 -12.525 1.00 0.25 H new ATOM 0 HD11 ILE A 30 -5.416 -21.589 -11.495 1.00 71.01 H new ATOM 0 HD12 ILE A 30 -4.463 -23.092 -11.516 1.00 71.01 H new ATOM 0 HD13 ILE A 30 -3.718 -21.574 -10.962 1.00 71.01 H new ATOM 507 N MET A 31 0.674 -21.961 -13.140 1.00 53.25 N ATOM 508 CA MET A 31 1.999 -22.534 -13.307 1.00 14.31 C ATOM 509 C MET A 31 2.882 -22.233 -12.095 1.00 4.52 C ATOM 510 O MET A 31 3.859 -22.937 -11.843 1.00 73.44 O ATOM 511 CB MET A 31 2.648 -21.960 -14.568 1.00 23.03 C ATOM 512 CG MET A 31 1.925 -22.444 -15.826 1.00 72.10 C ATOM 513 SD MET A 31 2.614 -23.999 -16.366 1.00 62.43 S ATOM 514 CE MET A 31 3.663 -23.429 -17.694 1.00 32.35 C ATOM 0 H MET A 31 0.523 -21.084 -13.638 1.00 53.25 H new ATOM 0 HA MET A 31 1.899 -23.615 -13.400 1.00 14.31 H new ATOM 0 HB2 MET A 31 2.627 -20.871 -14.529 1.00 23.03 H new ATOM 0 HB3 MET A 31 3.696 -22.257 -14.609 1.00 23.03 H new ATOM 0 HG2 MET A 31 0.861 -22.560 -15.622 1.00 72.10 H new ATOM 0 HG3 MET A 31 2.019 -21.701 -16.618 1.00 72.10 H new ATOM 0 HE1 MET A 31 4.173 -24.280 -18.146 1.00 32.35 H new ATOM 0 HE2 MET A 31 3.056 -22.928 -18.448 1.00 32.35 H new ATOM 0 HE3 MET A 31 4.401 -22.731 -17.300 1.00 32.35 H new ATOM 524 N ALA A 32 2.508 -21.185 -11.376 1.00 4.54 N ATOM 525 CA ALA A 32 3.255 -20.781 -10.196 1.00 31.51 C ATOM 526 C ALA A 32 3.087 -21.841 -9.105 1.00 14.33 C ATOM 527 O ALA A 32 4.071 -22.371 -8.592 1.00 41.13 O ATOM 528 CB ALA A 32 2.785 -19.398 -9.743 1.00 4.34 C ATOM 0 H ALA A 32 1.697 -20.603 -11.587 1.00 4.54 H new ATOM 0 HA ALA A 32 4.319 -20.705 -10.422 1.00 31.51 H new ATOM 0 HB1 ALA A 32 3.345 -19.095 -8.858 1.00 4.34 H new ATOM 0 HB2 ALA A 32 2.952 -18.677 -10.543 1.00 4.34 H new ATOM 0 HB3 ALA A 32 1.722 -19.435 -9.504 1.00 4.34 H new ATOM 534 N ILE A 33 1.832 -22.117 -8.781 1.00 72.15 N ATOM 535 CA ILE A 33 1.522 -23.103 -7.760 1.00 71.45 C ATOM 536 C ILE A 33 1.934 -24.491 -8.256 1.00 43.00 C ATOM 537 O ILE A 33 2.514 -25.275 -7.506 1.00 72.01 O ATOM 538 CB ILE A 33 0.050 -23.008 -7.353 1.00 23.33 C ATOM 539 CG1 ILE A 33 -0.226 -21.707 -6.596 1.00 70.33 C ATOM 540 CG2 ILE A 33 -0.377 -24.239 -6.551 1.00 31.30 C ATOM 541 CD1 ILE A 33 -0.418 -20.540 -7.566 1.00 52.50 C ATOM 0 H ILE A 33 1.018 -21.675 -9.208 1.00 72.15 H new ATOM 0 HA ILE A 33 2.093 -22.905 -6.853 1.00 71.45 H new ATOM 0 HB ILE A 33 -0.555 -22.988 -8.259 1.00 23.33 H new ATOM 0 HG12 ILE A 33 -1.117 -21.823 -5.979 1.00 70.33 H new ATOM 0 HG13 ILE A 33 0.603 -21.492 -5.921 1.00 70.33 H new ATOM 0 HG21 ILE A 33 -1.427 -24.147 -6.274 1.00 31.30 H new ATOM 0 HG22 ILE A 33 -0.239 -25.134 -7.157 1.00 31.30 H new ATOM 0 HG23 ILE A 33 0.231 -24.315 -5.649 1.00 31.30 H new ATOM 0 HD11 ILE A 33 -0.613 -19.627 -7.003 1.00 52.50 H new ATOM 0 HD12 ILE A 33 0.484 -20.412 -8.164 1.00 52.50 H new ATOM 0 HD13 ILE A 33 -1.262 -20.748 -8.223 1.00 52.50 H new ATOM 553 N ASN A 34 1.619 -24.752 -9.516 1.00 43.12 N ATOM 554 CA ASN A 34 1.950 -26.031 -10.121 1.00 32.22 C ATOM 555 C ASN A 34 3.458 -26.265 -10.017 1.00 3.10 C ATOM 556 O ASN A 34 3.925 -27.396 -10.144 1.00 0.20 O ATOM 557 CB ASN A 34 1.569 -26.055 -11.602 1.00 75.12 C ATOM 558 CG ASN A 34 0.152 -26.601 -11.795 1.00 65.53 C ATOM 559 OD1 ASN A 34 -0.103 -27.456 -12.628 1.00 21.14 O ATOM 560 ND2 ASN A 34 -0.751 -26.062 -10.982 1.00 20.11 N ATOM 0 H ASN A 34 1.138 -24.099 -10.135 1.00 43.12 H new ATOM 0 HA ASN A 34 1.395 -26.807 -9.593 1.00 32.22 H new ATOM 0 HB2 ASN A 34 1.634 -25.048 -12.014 1.00 75.12 H new ATOM 0 HB3 ASN A 34 2.278 -26.672 -12.154 1.00 75.12 H new ATOM 0 HD21 ASN A 34 -1.725 -26.360 -11.033 1.00 20.11 H new ATOM 0 HD22 ASN A 34 -0.470 -25.350 -10.307 1.00 20.11 H new ATOM 567 N SER A 35 4.179 -25.177 -9.787 1.00 72.12 N ATOM 568 CA SER A 35 5.625 -25.249 -9.665 1.00 31.32 C ATOM 569 C SER A 35 6.008 -25.726 -8.262 1.00 43.14 C ATOM 570 O SER A 35 6.900 -26.559 -8.108 1.00 71.00 O ATOM 571 CB SER A 35 6.271 -23.894 -9.960 1.00 70.31 C ATOM 572 OG SER A 35 7.651 -24.022 -10.292 1.00 0.23 O ATOM 0 H SER A 35 3.788 -24.241 -9.682 1.00 72.12 H new ATOM 0 HA SER A 35 5.995 -25.965 -10.399 1.00 31.32 H new ATOM 0 HB2 SER A 35 5.743 -23.412 -10.783 1.00 70.31 H new ATOM 0 HB3 SER A 35 6.166 -23.245 -9.091 1.00 70.31 H new ATOM 0 HG SER A 35 8.027 -23.136 -10.475 1.00 0.23 H new ATOM 578 N LYS A 36 5.316 -25.177 -7.276 1.00 15.44 N ATOM 579 CA LYS A 36 5.572 -25.535 -5.891 1.00 61.00 C ATOM 580 C LYS A 36 5.109 -26.973 -5.647 1.00 4.22 C ATOM 581 O LYS A 36 5.819 -27.759 -5.021 1.00 71.25 O ATOM 582 CB LYS A 36 4.934 -24.515 -4.946 1.00 51.33 C ATOM 583 CG LYS A 36 5.903 -23.372 -4.638 1.00 3.22 C ATOM 584 CD LYS A 36 6.531 -22.824 -5.921 1.00 52.40 C ATOM 585 CE LYS A 36 7.646 -21.826 -5.603 1.00 41.20 C ATOM 586 NZ LYS A 36 7.858 -20.905 -6.742 1.00 63.23 N ATOM 0 H LYS A 36 4.577 -24.486 -7.408 1.00 15.44 H new ATOM 0 HA LYS A 36 6.641 -25.503 -5.681 1.00 61.00 H new ATOM 0 HB2 LYS A 36 4.026 -24.115 -5.397 1.00 51.33 H new ATOM 0 HB3 LYS A 36 4.640 -25.007 -4.019 1.00 51.33 H new ATOM 0 HG2 LYS A 36 5.375 -22.573 -4.118 1.00 3.22 H new ATOM 0 HG3 LYS A 36 6.686 -23.725 -3.968 1.00 3.22 H new ATOM 0 HD2 LYS A 36 6.932 -23.646 -6.514 1.00 52.40 H new ATOM 0 HD3 LYS A 36 5.765 -22.339 -6.526 1.00 52.40 H new ATOM 0 HE2 LYS A 36 7.388 -21.256 -4.710 1.00 41.20 H new ATOM 0 HE3 LYS A 36 8.570 -22.361 -5.384 1.00 41.20 H new ATOM 0 HZ1 LYS A 36 8.764 -21.126 -7.203 1.00 63.23 H new ATOM 0 HZ2 LYS A 36 7.084 -21.017 -7.428 1.00 63.23 H new ATOM 0 HZ3 LYS A 36 7.875 -19.924 -6.397 1.00 63.23 H new ATOM 599 N ILE A 37 3.922 -27.273 -6.153 1.00 43.51 N ATOM 600 CA ILE A 37 3.357 -28.602 -5.998 1.00 15.12 C ATOM 601 C ILE A 37 4.018 -29.553 -6.997 1.00 24.02 C ATOM 602 O ILE A 37 3.699 -30.740 -7.034 1.00 70.31 O ATOM 603 CB ILE A 37 1.832 -28.552 -6.114 1.00 33.04 C ATOM 604 CG1 ILE A 37 1.389 -28.657 -7.574 1.00 61.24 C ATOM 605 CG2 ILE A 37 1.271 -27.302 -5.433 1.00 52.32 C ATOM 606 CD1 ILE A 37 -0.049 -28.166 -7.748 1.00 55.12 C ATOM 0 H ILE A 37 3.336 -26.618 -6.671 1.00 43.51 H new ATOM 0 HA ILE A 37 3.566 -28.991 -5.001 1.00 15.12 H new ATOM 0 HB ILE A 37 1.421 -29.415 -5.591 1.00 33.04 H new ATOM 0 HG12 ILE A 37 2.057 -28.068 -8.203 1.00 61.24 H new ATOM 0 HG13 ILE A 37 1.466 -29.692 -7.908 1.00 61.24 H new ATOM 0 HG21 ILE A 37 0.185 -27.291 -5.530 1.00 52.32 H new ATOM 0 HG22 ILE A 37 1.541 -27.311 -4.377 1.00 52.32 H new ATOM 0 HG23 ILE A 37 1.687 -26.412 -5.906 1.00 52.32 H new ATOM 0 HD11 ILE A 37 -0.338 -28.252 -8.795 1.00 55.12 H new ATOM 0 HD12 ILE A 37 -0.717 -28.772 -7.136 1.00 55.12 H new ATOM 0 HD13 ILE A 37 -0.118 -27.124 -7.437 1.00 55.12 H new ATOM 618 N SER A 38 4.929 -28.996 -7.782 1.00 15.31 N ATOM 619 CA SER A 38 5.638 -29.780 -8.779 1.00 2.44 C ATOM 620 C SER A 38 6.428 -30.899 -8.098 1.00 65.23 C ATOM 621 O SER A 38 6.879 -31.835 -8.757 1.00 74.13 O ATOM 622 CB SER A 38 6.574 -28.898 -9.609 1.00 34.24 C ATOM 623 OG SER A 38 7.128 -29.603 -10.716 1.00 25.11 O ATOM 0 H SER A 38 5.192 -28.011 -7.748 1.00 15.31 H new ATOM 0 HA SER A 38 4.904 -30.220 -9.454 1.00 2.44 H new ATOM 0 HB2 SER A 38 6.026 -28.028 -9.971 1.00 34.24 H new ATOM 0 HB3 SER A 38 7.380 -28.527 -8.975 1.00 34.24 H new ATOM 0 HG SER A 38 7.718 -29.006 -11.222 1.00 25.11 H new ATOM 704 N PRO A 44 -1.090 -32.280 -10.678 1.00 75.24 N ATOM 705 CA PRO A 44 -1.191 -30.908 -10.212 1.00 41.32 C ATOM 706 C PRO A 44 -2.653 -30.495 -10.033 1.00 32.01 C ATOM 707 O PRO A 44 -3.537 -31.347 -9.955 1.00 53.22 O ATOM 708 CB PRO A 44 -0.465 -30.082 -11.261 1.00 41.34 C ATOM 709 CG PRO A 44 -0.390 -30.957 -12.502 1.00 41.32 C ATOM 710 CD PRO A 44 -0.738 -32.378 -12.092 1.00 24.23 C ATOM 0 HA PRO A 44 -0.742 -30.764 -9.229 1.00 41.32 H new ATOM 0 HB2 PRO A 44 -1.001 -29.156 -11.468 1.00 41.34 H new ATOM 0 HB3 PRO A 44 0.532 -29.804 -10.918 1.00 41.34 H new ATOM 0 HG2 PRO A 44 -1.083 -30.599 -13.264 1.00 41.32 H new ATOM 0 HG3 PRO A 44 0.609 -30.919 -12.936 1.00 41.32 H new ATOM 0 HD2 PRO A 44 -1.568 -32.768 -12.681 1.00 24.23 H new ATOM 0 HD3 PRO A 44 0.105 -33.052 -12.244 1.00 24.23 H new ATOM 718 N ILE A 45 -2.863 -29.188 -9.973 1.00 21.23 N ATOM 719 CA ILE A 45 -4.203 -28.652 -9.804 1.00 61.23 C ATOM 720 C ILE A 45 -4.406 -27.486 -10.773 1.00 53.41 C ATOM 721 O ILE A 45 -3.525 -26.642 -10.929 1.00 24.24 O ATOM 722 CB ILE A 45 -4.453 -28.286 -8.340 1.00 35.41 C ATOM 723 CG1 ILE A 45 -3.162 -27.823 -7.662 1.00 15.11 C ATOM 724 CG2 ILE A 45 -5.110 -29.447 -7.590 1.00 13.24 C ATOM 725 CD1 ILE A 45 -2.633 -26.542 -8.309 1.00 43.21 C ATOM 0 H ILE A 45 -2.127 -28.484 -10.038 1.00 21.23 H new ATOM 0 HA ILE A 45 -4.950 -29.407 -10.051 1.00 61.23 H new ATOM 0 HB ILE A 45 -5.150 -27.448 -8.311 1.00 35.41 H new ATOM 0 HG12 ILE A 45 -3.346 -27.650 -6.602 1.00 15.11 H new ATOM 0 HG13 ILE A 45 -2.409 -28.608 -7.731 1.00 15.11 H new ATOM 0 HG21 ILE A 45 -5.277 -29.161 -6.551 1.00 13.24 H new ATOM 0 HG22 ILE A 45 -6.064 -29.689 -8.058 1.00 13.24 H new ATOM 0 HG23 ILE A 45 -4.457 -30.319 -7.626 1.00 13.24 H new ATOM 0 HD11 ILE A 45 -1.715 -26.234 -7.809 1.00 43.21 H new ATOM 0 HD12 ILE A 45 -2.428 -26.725 -9.364 1.00 43.21 H new ATOM 0 HD13 ILE A 45 -3.379 -25.753 -8.216 1.00 43.21 H new ATOM 737 N THR A 46 -5.574 -27.475 -11.399 1.00 42.13 N ATOM 738 CA THR A 46 -5.904 -26.426 -12.349 1.00 13.33 C ATOM 739 C THR A 46 -6.896 -25.439 -11.729 1.00 60.03 C ATOM 740 O THR A 46 -7.023 -24.307 -12.193 1.00 62.04 O ATOM 741 CB THR A 46 -6.425 -27.090 -13.625 1.00 2.20 C ATOM 742 OG1 THR A 46 -7.515 -27.891 -13.179 1.00 74.34 O ATOM 743 CG2 THR A 46 -5.433 -28.100 -14.206 1.00 11.12 C ATOM 0 H THR A 46 -6.303 -28.176 -11.267 1.00 42.13 H new ATOM 0 HA THR A 46 -5.025 -25.836 -12.608 1.00 13.33 H new ATOM 0 HB THR A 46 -6.642 -26.325 -14.370 1.00 2.20 H new ATOM 0 HG1 THR A 46 -7.913 -28.357 -13.944 1.00 74.34 H new ATOM 0 HG21 THR A 46 -5.851 -28.542 -15.110 1.00 11.12 H new ATOM 0 HG22 THR A 46 -4.499 -27.594 -14.448 1.00 11.12 H new ATOM 0 HG23 THR A 46 -5.241 -28.884 -13.474 1.00 11.12 H new ATOM 751 N LYS A 47 -7.574 -25.904 -10.690 1.00 63.43 N ATOM 752 CA LYS A 47 -8.550 -25.077 -10.002 1.00 72.04 C ATOM 753 C LYS A 47 -8.047 -24.769 -8.591 1.00 33.14 C ATOM 754 O LYS A 47 -7.740 -25.681 -7.825 1.00 20.14 O ATOM 755 CB LYS A 47 -9.930 -25.738 -10.033 1.00 64.42 C ATOM 756 CG LYS A 47 -10.274 -26.224 -11.443 1.00 4.50 C ATOM 757 CD LYS A 47 -11.784 -26.187 -11.682 1.00 35.33 C ATOM 758 CE LYS A 47 -12.547 -26.650 -10.439 1.00 12.33 C ATOM 759 NZ LYS A 47 -11.923 -27.865 -9.870 1.00 71.41 N ATOM 0 H LYS A 47 -7.466 -26.844 -10.308 1.00 63.43 H new ATOM 0 HA LYS A 47 -8.668 -24.122 -10.514 1.00 72.04 H new ATOM 0 HB2 LYS A 47 -9.950 -26.579 -9.340 1.00 64.42 H new ATOM 0 HB3 LYS A 47 -10.685 -25.028 -9.695 1.00 64.42 H new ATOM 0 HG2 LYS A 47 -9.770 -25.599 -12.180 1.00 4.50 H new ATOM 0 HG3 LYS A 47 -9.905 -27.240 -11.581 1.00 4.50 H new ATOM 0 HD2 LYS A 47 -12.090 -25.174 -11.944 1.00 35.33 H new ATOM 0 HD3 LYS A 47 -12.038 -26.826 -12.528 1.00 35.33 H new ATOM 0 HE2 LYS A 47 -12.555 -25.855 -9.693 1.00 12.33 H new ATOM 0 HE3 LYS A 47 -13.586 -26.855 -10.698 1.00 12.33 H new ATOM 0 HZ1 LYS A 47 -12.665 -28.536 -9.586 1.00 71.41 H new ATOM 0 HZ2 LYS A 47 -11.311 -28.308 -10.585 1.00 71.41 H new ATOM 0 HZ3 LYS A 47 -11.354 -27.606 -9.039 1.00 71.41 H new ATOM 772 N ILE A 48 -7.979 -23.481 -8.289 1.00 42.22 N ATOM 773 CA ILE A 48 -7.518 -23.041 -6.983 1.00 74.20 C ATOM 774 C ILE A 48 -8.595 -22.169 -6.334 1.00 73.23 C ATOM 775 O ILE A 48 -9.110 -21.244 -6.960 1.00 43.51 O ATOM 776 CB ILE A 48 -6.157 -22.353 -7.099 1.00 1.24 C ATOM 777 CG1 ILE A 48 -6.231 -21.146 -8.036 1.00 3.53 C ATOM 778 CG2 ILE A 48 -5.075 -23.346 -7.527 1.00 70.05 C ATOM 779 CD1 ILE A 48 -4.843 -20.544 -8.265 1.00 2.42 C ATOM 0 H ILE A 48 -8.236 -22.727 -8.927 1.00 42.22 H new ATOM 0 HA ILE A 48 -7.361 -23.897 -6.326 1.00 74.20 H new ATOM 0 HB ILE A 48 -5.878 -21.979 -6.114 1.00 1.24 H new ATOM 0 HG12 ILE A 48 -6.662 -21.448 -8.990 1.00 3.53 H new ATOM 0 HG13 ILE A 48 -6.893 -20.391 -7.611 1.00 3.53 H new ATOM 0 HG21 ILE A 48 -4.117 -22.831 -7.602 1.00 70.05 H new ATOM 0 HG22 ILE A 48 -5.001 -24.144 -6.788 1.00 70.05 H new ATOM 0 HG23 ILE A 48 -5.335 -23.772 -8.496 1.00 70.05 H new ATOM 0 HD11 ILE A 48 -4.924 -19.688 -8.935 1.00 2.42 H new ATOM 0 HD12 ILE A 48 -4.425 -20.221 -7.312 1.00 2.42 H new ATOM 0 HD13 ILE A 48 -4.190 -21.294 -8.712 1.00 2.42 H new ATOM 791 N LYS A 49 -8.905 -22.496 -5.088 1.00 45.31 N ATOM 792 CA LYS A 49 -9.911 -21.754 -4.348 1.00 1.22 C ATOM 793 C LYS A 49 -9.223 -20.713 -3.462 1.00 65.04 C ATOM 794 O LYS A 49 -8.661 -21.052 -2.422 1.00 15.34 O ATOM 795 CB LYS A 49 -10.823 -22.711 -3.577 1.00 3.51 C ATOM 796 CG LYS A 49 -12.236 -22.138 -3.450 1.00 72.45 C ATOM 797 CD LYS A 49 -13.220 -23.209 -2.973 1.00 51.52 C ATOM 798 CE LYS A 49 -13.270 -24.383 -3.952 1.00 70.22 C ATOM 799 NZ LYS A 49 -14.557 -25.104 -3.832 1.00 10.04 N ATOM 0 H LYS A 49 -8.477 -23.265 -4.572 1.00 45.31 H new ATOM 0 HA LYS A 49 -10.563 -21.210 -5.032 1.00 1.22 H new ATOM 0 HB2 LYS A 49 -10.861 -23.673 -4.088 1.00 3.51 H new ATOM 0 HB3 LYS A 49 -10.410 -22.893 -2.585 1.00 3.51 H new ATOM 0 HG2 LYS A 49 -12.233 -21.304 -2.749 1.00 72.45 H new ATOM 0 HG3 LYS A 49 -12.560 -21.744 -4.413 1.00 72.45 H new ATOM 0 HD2 LYS A 49 -12.924 -23.566 -1.986 1.00 51.52 H new ATOM 0 HD3 LYS A 49 -14.214 -22.774 -2.870 1.00 51.52 H new ATOM 0 HE2 LYS A 49 -13.144 -24.019 -4.972 1.00 70.22 H new ATOM 0 HE3 LYS A 49 -12.444 -25.066 -3.753 1.00 70.22 H new ATOM 0 HZ1 LYS A 49 -14.574 -25.898 -4.504 1.00 10.04 H new ATOM 0 HZ2 LYS A 49 -14.662 -25.468 -2.863 1.00 10.04 H new ATOM 0 HZ3 LYS A 49 -15.340 -24.454 -4.045 1.00 10.04 H new ATOM 812 N TYR A 50 -9.288 -19.467 -3.908 1.00 70.25 N ATOM 813 CA TYR A 50 -8.678 -18.375 -3.170 1.00 10.33 C ATOM 814 C TYR A 50 -9.713 -17.652 -2.306 1.00 12.34 C ATOM 815 O TYR A 50 -10.883 -17.563 -2.675 1.00 61.25 O ATOM 816 CB TYR A 50 -8.141 -17.402 -4.222 1.00 21.42 C ATOM 817 CG TYR A 50 -9.192 -16.436 -4.770 1.00 54.22 C ATOM 818 CD1 TYR A 50 -10.059 -16.849 -5.762 1.00 13.14 C ATOM 819 CD2 TYR A 50 -9.274 -15.151 -4.274 1.00 13.24 C ATOM 820 CE1 TYR A 50 -11.049 -15.939 -6.278 1.00 31.23 C ATOM 821 CE2 TYR A 50 -10.264 -14.241 -4.790 1.00 20.03 C ATOM 822 CZ TYR A 50 -11.103 -14.680 -5.766 1.00 64.23 C ATOM 823 OH TYR A 50 -12.037 -13.821 -6.254 1.00 13.02 O ATOM 0 H TYR A 50 -9.754 -19.190 -4.772 1.00 70.25 H new ATOM 0 HA TYR A 50 -7.896 -18.749 -2.509 1.00 10.33 H new ATOM 0 HB2 TYR A 50 -7.325 -16.826 -3.786 1.00 21.42 H new ATOM 0 HB3 TYR A 50 -7.721 -17.973 -5.050 1.00 21.42 H new ATOM 0 HD1 TYR A 50 -9.995 -17.854 -6.151 1.00 13.14 H new ATOM 0 HD2 TYR A 50 -8.596 -14.827 -3.499 1.00 13.24 H new ATOM 0 HE1 TYR A 50 -11.733 -16.249 -7.054 1.00 31.23 H new ATOM 0 HE2 TYR A 50 -10.338 -13.233 -4.410 1.00 20.03 H new ATOM 0 HH TYR A 50 -12.243 -14.055 -7.183 1.00 13.02 H new ATOM 833 N GLN A 51 -9.245 -17.153 -1.171 1.00 32.23 N ATOM 834 CA GLN A 51 -10.116 -16.441 -0.251 1.00 2.30 C ATOM 835 C GLN A 51 -10.403 -15.033 -0.776 1.00 15.55 C ATOM 836 O GLN A 51 -9.648 -14.503 -1.589 1.00 71.12 O ATOM 837 CB GLN A 51 -9.507 -16.390 1.152 1.00 51.43 C ATOM 838 CG GLN A 51 -10.536 -15.914 2.179 1.00 34.31 C ATOM 839 CD GLN A 51 -10.037 -16.152 3.606 1.00 50.33 C ATOM 840 OE1 GLN A 51 -9.454 -17.175 3.925 1.00 40.23 O ATOM 841 NE2 GLN A 51 -10.297 -15.152 4.443 1.00 12.14 N ATOM 0 H GLN A 51 -8.274 -17.228 -0.868 1.00 32.23 H new ATOM 0 HA GLN A 51 -11.060 -16.982 -0.182 1.00 2.30 H new ATOM 0 HB2 GLN A 51 -9.141 -17.378 1.430 1.00 51.43 H new ATOM 0 HB3 GLN A 51 -8.648 -15.720 1.155 1.00 51.43 H new ATOM 0 HG2 GLN A 51 -10.737 -14.853 2.033 1.00 34.31 H new ATOM 0 HG3 GLN A 51 -11.478 -16.441 2.027 1.00 34.31 H new ATOM 0 HE21 GLN A 51 -10.789 -14.323 4.110 1.00 12.14 H new ATOM 0 HE22 GLN A 51 -10.004 -15.214 5.418 1.00 12.14 H new ATOM 850 N ASP A 52 -11.498 -14.466 -0.288 1.00 65.11 N ATOM 851 CA ASP A 52 -11.894 -13.130 -0.698 1.00 13.44 C ATOM 852 C ASP A 52 -12.005 -12.234 0.538 1.00 20.10 C ATOM 853 O ASP A 52 -11.667 -12.652 1.644 1.00 21.24 O ATOM 854 CB ASP A 52 -13.258 -13.148 -1.392 1.00 24.24 C ATOM 855 CG ASP A 52 -13.486 -12.020 -2.399 1.00 44.24 C ATOM 856 OD1 ASP A 52 -12.571 -11.633 -3.142 1.00 55.43 O ATOM 857 OD2 ASP A 52 -14.677 -11.525 -2.404 1.00 32.41 O ATOM 0 H ASP A 52 -12.122 -14.908 0.387 1.00 65.11 H new ATOM 0 HA ASP A 52 -11.142 -12.753 -1.391 1.00 13.44 H new ATOM 0 HB2 ASP A 52 -13.375 -14.102 -1.906 1.00 24.24 H new ATOM 0 HB3 ASP A 52 -14.037 -13.098 -0.631 1.00 24.24 H new ATOM 863 N GLU A 53 -12.480 -11.019 0.308 1.00 3.30 N ATOM 864 CA GLU A 53 -12.639 -10.061 1.389 1.00 51.43 C ATOM 865 C GLU A 53 -13.775 -10.493 2.318 1.00 53.21 C ATOM 866 O GLU A 53 -13.683 -10.332 3.534 1.00 42.32 O ATOM 867 CB GLU A 53 -12.884 -8.653 0.842 1.00 44.22 C ATOM 868 CG GLU A 53 -14.181 -8.596 0.034 1.00 75.35 C ATOM 869 CD GLU A 53 -15.379 -8.304 0.940 1.00 73.24 C ATOM 870 OE1 GLU A 53 -16.516 -8.213 0.454 1.00 54.54 O ATOM 871 OE2 GLU A 53 -15.097 -8.172 2.191 1.00 23.13 O ATOM 0 H GLU A 53 -12.760 -10.676 -0.611 1.00 3.30 H new ATOM 0 HA GLU A 53 -11.714 -10.036 1.965 1.00 51.43 H new ATOM 0 HB2 GLU A 53 -12.934 -7.942 1.667 1.00 44.22 H new ATOM 0 HB3 GLU A 53 -12.046 -8.353 0.213 1.00 44.22 H new ATOM 0 HG2 GLU A 53 -14.103 -7.824 -0.732 1.00 75.35 H new ATOM 0 HG3 GLU A 53 -14.334 -9.543 -0.483 1.00 75.35 H new ATOM 879 N ASP A 54 -14.821 -11.033 1.710 1.00 71.12 N ATOM 880 CA ASP A 54 -15.974 -11.490 2.468 1.00 41.45 C ATOM 881 C ASP A 54 -15.528 -12.549 3.477 1.00 30.04 C ATOM 882 O ASP A 54 -16.244 -12.840 4.434 1.00 74.31 O ATOM 883 CB ASP A 54 -17.021 -12.123 1.549 1.00 1.12 C ATOM 884 CG ASP A 54 -18.322 -12.536 2.240 1.00 20.01 C ATOM 885 OD1 ASP A 54 -18.955 -11.733 2.942 1.00 30.51 O ATOM 886 OD2 ASP A 54 -18.687 -13.756 2.031 1.00 4.34 O ATOM 0 H ASP A 54 -14.894 -11.164 0.701 1.00 71.12 H new ATOM 0 HA ASP A 54 -16.410 -10.627 2.972 1.00 41.45 H new ATOM 0 HB2 ASP A 54 -17.258 -11.417 0.753 1.00 1.12 H new ATOM 0 HB3 ASP A 54 -16.583 -13.002 1.076 1.00 1.12 H new ATOM 892 N GLY A 55 -14.347 -13.096 3.230 1.00 71.50 N ATOM 893 CA GLY A 55 -13.797 -14.117 4.106 1.00 72.33 C ATOM 894 C GLY A 55 -14.231 -15.515 3.659 1.00 52.20 C ATOM 895 O GLY A 55 -13.942 -16.503 4.331 1.00 23.25 O ATOM 0 H GLY A 55 -13.755 -12.852 2.436 1.00 71.50 H new ATOM 0 HA2 GLY A 55 -12.709 -14.053 4.107 1.00 72.33 H new ATOM 0 HA3 GLY A 55 -14.127 -13.940 5.129 1.00 72.33 H new ATOM 899 N ASP A 56 -14.919 -15.552 2.527 1.00 64.50 N ATOM 900 CA ASP A 56 -15.395 -16.813 1.982 1.00 13.55 C ATOM 901 C ASP A 56 -14.471 -17.254 0.846 1.00 22.53 C ATOM 902 O ASP A 56 -13.909 -16.420 0.138 1.00 75.22 O ATOM 903 CB ASP A 56 -16.808 -16.667 1.413 1.00 21.11 C ATOM 904 CG ASP A 56 -17.639 -17.952 1.409 1.00 2.21 C ATOM 905 OD1 ASP A 56 -17.996 -18.485 2.470 1.00 13.52 O ATOM 906 OD2 ASP A 56 -17.923 -18.413 0.239 1.00 72.55 O ATOM 0 H ASP A 56 -15.158 -14.730 1.973 1.00 64.50 H new ATOM 0 HA ASP A 56 -15.404 -17.547 2.788 1.00 13.55 H new ATOM 0 HB2 ASP A 56 -17.339 -15.910 1.990 1.00 21.11 H new ATOM 0 HB3 ASP A 56 -16.735 -16.296 0.391 1.00 21.11 H new ATOM 912 N PHE A 57 -14.341 -18.566 0.708 1.00 10.30 N ATOM 913 CA PHE A 57 -13.494 -19.129 -0.330 1.00 12.40 C ATOM 914 C PHE A 57 -14.173 -19.043 -1.698 1.00 54.43 C ATOM 915 O PHE A 57 -15.392 -19.179 -1.800 1.00 44.32 O ATOM 916 CB PHE A 57 -13.271 -20.600 0.024 1.00 72.31 C ATOM 917 CG PHE A 57 -14.562 -21.381 0.279 1.00 21.32 C ATOM 918 CD1 PHE A 57 -15.389 -21.684 -0.756 1.00 75.55 C ATOM 919 CD2 PHE A 57 -14.882 -21.772 1.542 1.00 25.40 C ATOM 920 CE1 PHE A 57 -16.587 -22.409 -0.520 1.00 33.55 C ATOM 921 CE2 PHE A 57 -16.079 -22.497 1.779 1.00 73.30 C ATOM 922 CZ PHE A 57 -16.907 -22.801 0.743 1.00 1.52 C ATOM 0 H PHE A 57 -14.808 -19.255 1.298 1.00 10.30 H new ATOM 0 HA PHE A 57 -12.556 -18.577 -0.385 1.00 12.40 H new ATOM 0 HB2 PHE A 57 -12.723 -21.079 -0.787 1.00 72.31 H new ATOM 0 HB3 PHE A 57 -12.642 -20.658 0.912 1.00 72.31 H new ATOM 0 HD1 PHE A 57 -15.135 -21.373 -1.759 1.00 75.55 H new ATOM 0 HD2 PHE A 57 -14.225 -21.531 2.365 1.00 25.40 H new ATOM 0 HE1 PHE A 57 -17.244 -22.649 -1.343 1.00 33.55 H new ATOM 0 HE2 PHE A 57 -16.333 -22.807 2.782 1.00 73.30 H new ATOM 0 HZ PHE A 57 -17.818 -23.353 0.923 1.00 1.52 H new ATOM 932 N VAL A 58 -13.356 -18.817 -2.716 1.00 63.21 N ATOM 933 CA VAL A 58 -13.862 -18.712 -4.074 1.00 13.51 C ATOM 934 C VAL A 58 -12.881 -19.388 -5.034 1.00 13.23 C ATOM 935 O VAL A 58 -11.673 -19.368 -4.807 1.00 65.51 O ATOM 936 CB VAL A 58 -14.124 -17.245 -4.422 1.00 52.20 C ATOM 937 CG1 VAL A 58 -15.547 -16.835 -4.035 1.00 64.13 C ATOM 938 CG2 VAL A 58 -13.091 -16.331 -3.760 1.00 31.25 C ATOM 0 H VAL A 58 -12.346 -18.704 -2.628 1.00 63.21 H new ATOM 0 HA VAL A 58 -14.816 -19.230 -4.167 1.00 13.51 H new ATOM 0 HB VAL A 58 -14.025 -17.135 -5.502 1.00 52.20 H new ATOM 0 HG11 VAL A 58 -15.707 -15.788 -4.293 1.00 64.13 H new ATOM 0 HG12 VAL A 58 -16.264 -17.455 -4.574 1.00 64.13 H new ATOM 0 HG13 VAL A 58 -15.685 -16.969 -2.962 1.00 64.13 H new ATOM 0 HG21 VAL A 58 -13.300 -15.294 -4.024 1.00 31.25 H new ATOM 0 HG22 VAL A 58 -13.143 -16.448 -2.677 1.00 31.25 H new ATOM 0 HG23 VAL A 58 -12.093 -16.599 -4.107 1.00 31.25 H new ATOM 948 N VAL A 59 -13.438 -19.970 -6.086 1.00 14.25 N ATOM 949 CA VAL A 59 -12.628 -20.651 -7.081 1.00 2.23 C ATOM 950 C VAL A 59 -11.880 -19.613 -7.920 1.00 73.04 C ATOM 951 O VAL A 59 -12.328 -18.475 -8.049 1.00 41.44 O ATOM 952 CB VAL A 59 -13.504 -21.581 -7.922 1.00 31.43 C ATOM 953 CG1 VAL A 59 -14.594 -20.795 -8.654 1.00 23.45 C ATOM 954 CG2 VAL A 59 -12.657 -22.391 -8.906 1.00 32.14 C ATOM 0 H VAL A 59 -14.441 -19.984 -6.271 1.00 14.25 H new ATOM 0 HA VAL A 59 -11.880 -21.280 -6.599 1.00 2.23 H new ATOM 0 HB VAL A 59 -13.994 -22.282 -7.246 1.00 31.43 H new ATOM 0 HG11 VAL A 59 -15.202 -21.480 -9.244 1.00 23.45 H new ATOM 0 HG12 VAL A 59 -15.225 -20.284 -7.927 1.00 23.45 H new ATOM 0 HG13 VAL A 59 -14.132 -20.060 -9.313 1.00 23.45 H new ATOM 0 HG21 VAL A 59 -13.304 -23.044 -9.491 1.00 32.14 H new ATOM 0 HG22 VAL A 59 -12.127 -21.712 -9.574 1.00 32.14 H new ATOM 0 HG23 VAL A 59 -11.936 -22.994 -8.355 1.00 32.14 H new ATOM 964 N LEU A 60 -10.754 -20.043 -8.470 1.00 20.33 N ATOM 965 CA LEU A 60 -9.940 -19.166 -9.293 1.00 51.54 C ATOM 966 C LEU A 60 -9.337 -19.970 -10.447 1.00 13.11 C ATOM 967 O LEU A 60 -8.578 -20.911 -10.222 1.00 34.41 O ATOM 968 CB LEU A 60 -8.898 -18.442 -8.438 1.00 13.21 C ATOM 969 CG LEU A 60 -7.608 -18.036 -9.153 1.00 51.31 C ATOM 970 CD1 LEU A 60 -7.910 -17.174 -10.381 1.00 23.12 C ATOM 971 CD2 LEU A 60 -6.642 -17.343 -8.190 1.00 10.20 C ATOM 0 H LEU A 60 -10.386 -20.988 -8.361 1.00 20.33 H new ATOM 0 HA LEU A 60 -10.554 -18.383 -9.737 1.00 51.54 H new ATOM 0 HB2 LEU A 60 -9.358 -17.545 -8.023 1.00 13.21 H new ATOM 0 HB3 LEU A 60 -8.637 -19.085 -7.597 1.00 13.21 H new ATOM 0 HG LEU A 60 -7.115 -18.941 -9.508 1.00 51.31 H new ATOM 0 HD11 LEU A 60 -6.976 -16.899 -10.871 1.00 23.12 H new ATOM 0 HD12 LEU A 60 -8.533 -17.737 -11.076 1.00 23.12 H new ATOM 0 HD13 LEU A 60 -8.437 -16.271 -10.071 1.00 23.12 H new ATOM 0 HD21 LEU A 60 -5.733 -17.065 -8.724 1.00 10.20 H new ATOM 0 HD22 LEU A 60 -7.113 -16.448 -7.784 1.00 10.20 H new ATOM 0 HD23 LEU A 60 -6.391 -18.022 -7.375 1.00 10.20 H new ATOM 983 N GLY A 61 -9.698 -19.569 -11.657 1.00 61.42 N ATOM 984 CA GLY A 61 -9.202 -20.241 -12.846 1.00 71.25 C ATOM 985 C GLY A 61 -9.290 -19.326 -14.070 1.00 24.33 C ATOM 986 O GLY A 61 -9.412 -19.802 -15.197 1.00 52.25 O ATOM 0 H GLY A 61 -10.328 -18.788 -11.840 1.00 61.42 H new ATOM 0 HA2 GLY A 61 -8.168 -20.547 -12.690 1.00 71.25 H new ATOM 0 HA3 GLY A 61 -9.780 -21.148 -13.023 1.00 71.25 H new ATOM 990 N SER A 62 -9.223 -18.030 -13.805 1.00 52.22 N ATOM 991 CA SER A 62 -9.293 -17.044 -14.870 1.00 74.04 C ATOM 992 C SER A 62 -8.702 -15.716 -14.394 1.00 40.20 C ATOM 993 O SER A 62 -8.725 -15.414 -13.202 1.00 23.02 O ATOM 994 CB SER A 62 -10.735 -16.844 -15.342 1.00 32.32 C ATOM 995 OG SER A 62 -11.510 -18.033 -15.208 1.00 40.13 O ATOM 0 H SER A 62 -9.121 -17.640 -12.868 1.00 52.22 H new ATOM 0 HA SER A 62 -8.710 -17.412 -15.715 1.00 74.04 H new ATOM 0 HB2 SER A 62 -11.197 -16.043 -14.766 1.00 32.32 H new ATOM 0 HB3 SER A 62 -10.735 -16.527 -16.385 1.00 32.32 H new ATOM 0 HG SER A 62 -12.424 -17.864 -15.518 1.00 40.13 H new ATOM 1001 N ASP A 63 -8.186 -14.958 -15.350 1.00 53.43 N ATOM 1002 CA ASP A 63 -7.590 -13.669 -15.044 1.00 3.45 C ATOM 1003 C ASP A 63 -8.677 -12.714 -14.545 1.00 24.34 C ATOM 1004 O ASP A 63 -8.382 -11.735 -13.861 1.00 41.14 O ATOM 1005 CB ASP A 63 -6.950 -13.048 -16.287 1.00 1.11 C ATOM 1006 CG ASP A 63 -6.031 -11.855 -16.014 1.00 61.43 C ATOM 1007 OD1 ASP A 63 -6.348 -10.710 -16.369 1.00 71.42 O ATOM 1008 OD2 ASP A 63 -4.932 -12.143 -15.402 1.00 15.52 O ATOM 0 H ASP A 63 -8.168 -15.212 -16.338 1.00 53.43 H new ATOM 0 HA ASP A 63 -6.824 -13.824 -14.284 1.00 3.45 H new ATOM 0 HB2 ASP A 63 -6.377 -13.817 -16.805 1.00 1.11 H new ATOM 0 HB3 ASP A 63 -7.742 -12.730 -16.965 1.00 1.11 H new ATOM 1014 N GLU A 64 -9.911 -13.034 -14.906 1.00 2.45 N ATOM 1015 CA GLU A 64 -11.043 -12.217 -14.503 1.00 52.21 C ATOM 1016 C GLU A 64 -11.363 -12.444 -13.024 1.00 64.12 C ATOM 1017 O GLU A 64 -12.096 -11.665 -12.417 1.00 5.11 O ATOM 1018 CB GLU A 64 -12.265 -12.504 -15.378 1.00 42.13 C ATOM 1019 CG GLU A 64 -13.552 -12.048 -14.689 1.00 35.42 C ATOM 1020 CD GLU A 64 -13.561 -10.531 -14.490 1.00 61.31 C ATOM 1021 OE1 GLU A 64 -12.494 -9.923 -14.318 1.00 13.24 O ATOM 1022 OE2 GLU A 64 -14.729 -9.984 -14.521 1.00 4.15 O ATOM 0 H GLU A 64 -10.152 -13.847 -15.473 1.00 2.45 H new ATOM 0 HA GLU A 64 -10.776 -11.169 -14.640 1.00 52.21 H new ATOM 0 HB2 GLU A 64 -12.160 -11.993 -16.335 1.00 42.13 H new ATOM 0 HB3 GLU A 64 -12.321 -13.571 -15.592 1.00 42.13 H new ATOM 0 HG2 GLU A 64 -14.413 -12.345 -15.287 1.00 35.42 H new ATOM 0 HG3 GLU A 64 -13.648 -12.545 -13.724 1.00 35.42 H new ATOM 1030 N ASP A 65 -10.797 -13.515 -12.487 1.00 61.12 N ATOM 1031 CA ASP A 65 -11.012 -13.855 -11.091 1.00 13.31 C ATOM 1032 C ASP A 65 -9.719 -13.618 -10.308 1.00 35.03 C ATOM 1033 O ASP A 65 -9.740 -13.532 -9.081 1.00 24.22 O ATOM 1034 CB ASP A 65 -11.397 -15.327 -10.935 1.00 65.32 C ATOM 1035 CG ASP A 65 -12.263 -15.644 -9.715 1.00 11.03 C ATOM 1036 OD1 ASP A 65 -12.266 -14.900 -8.723 1.00 2.31 O ATOM 1037 OD2 ASP A 65 -12.967 -16.721 -9.810 1.00 41.14 O ATOM 0 H ASP A 65 -10.190 -14.159 -12.994 1.00 61.12 H new ATOM 0 HA ASP A 65 -11.820 -13.230 -10.712 1.00 13.31 H new ATOM 0 HB2 ASP A 65 -11.929 -15.645 -11.832 1.00 65.32 H new ATOM 0 HB3 ASP A 65 -10.485 -15.921 -10.878 1.00 65.32 H new ATOM 1043 N TRP A 66 -8.626 -13.519 -11.049 1.00 62.30 N ATOM 1044 CA TRP A 66 -7.326 -13.294 -10.439 1.00 72.33 C ATOM 1045 C TRP A 66 -7.076 -11.785 -10.402 1.00 34.20 C ATOM 1046 O TRP A 66 -6.297 -11.301 -9.582 1.00 75.51 O ATOM 1047 CB TRP A 66 -6.232 -14.063 -11.182 1.00 23.20 C ATOM 1048 CG TRP A 66 -4.826 -13.494 -10.982 1.00 2.42 C ATOM 1049 CD1 TRP A 66 -3.874 -13.302 -11.905 1.00 52.35 C ATOM 1050 CD2 TRP A 66 -4.248 -13.047 -9.737 1.00 13.02 C ATOM 1051 NE1 TRP A 66 -2.730 -12.766 -11.349 1.00 72.33 N ATOM 1052 CE2 TRP A 66 -2.965 -12.606 -9.989 1.00 31.43 C ATOM 1053 CE3 TRP A 66 -4.792 -13.016 -8.441 1.00 35.12 C ATOM 1054 CZ2 TRP A 66 -2.118 -12.103 -8.994 1.00 32.42 C ATOM 1055 CZ3 TRP A 66 -3.933 -12.511 -7.458 1.00 13.43 C ATOM 1056 CH2 TRP A 66 -2.639 -12.063 -7.695 1.00 21.31 C ATOM 0 H TRP A 66 -8.613 -13.590 -12.066 1.00 62.30 H new ATOM 0 HA TRP A 66 -7.308 -13.675 -9.418 1.00 72.33 H new ATOM 0 HB2 TRP A 66 -6.243 -15.101 -10.851 1.00 23.20 H new ATOM 0 HB3 TRP A 66 -6.464 -14.066 -12.247 1.00 23.20 H new ATOM 0 HD1 TRP A 66 -3.988 -13.537 -12.953 1.00 52.35 H new ATOM 0 HE1 TRP A 66 -1.870 -12.531 -11.845 1.00 72.33 H new ATOM 0 HE3 TRP A 66 -5.794 -13.355 -8.221 1.00 35.12 H new ATOM 0 HZ2 TRP A 66 -1.117 -11.764 -9.216 1.00 32.42 H new ATOM 0 HZ3 TRP A 66 -4.302 -12.466 -6.444 1.00 13.43 H new ATOM 0 HH2 TRP A 66 -2.038 -11.686 -6.881 1.00 21.31 H new ATOM 1067 N ASN A 67 -7.752 -11.083 -11.300 1.00 30.50 N ATOM 1068 CA ASN A 67 -7.613 -9.639 -11.380 1.00 72.31 C ATOM 1069 C ASN A 67 -8.712 -8.979 -10.545 1.00 51.43 C ATOM 1070 O ASN A 67 -8.488 -7.937 -9.931 1.00 11.13 O ATOM 1071 CB ASN A 67 -7.758 -9.151 -12.823 1.00 25.32 C ATOM 1072 CG ASN A 67 -7.911 -7.630 -12.874 1.00 52.13 C ATOM 1073 OD1 ASN A 67 -6.953 -6.880 -12.784 1.00 52.11 O ATOM 1074 ND2 ASN A 67 -9.167 -7.218 -13.024 1.00 2.21 N ATOM 0 H ASN A 67 -8.397 -11.488 -11.978 1.00 30.50 H new ATOM 0 HA ASN A 67 -6.624 -9.374 -11.007 1.00 72.31 H new ATOM 0 HB2 ASN A 67 -6.885 -9.452 -13.402 1.00 25.32 H new ATOM 0 HB3 ASN A 67 -8.625 -9.623 -13.285 1.00 25.32 H new ATOM 0 HD21 ASN A 67 -9.374 -6.220 -13.070 1.00 2.21 H new ATOM 0 HD22 ASN A 67 -9.923 -7.900 -13.093 1.00 2.21 H new ATOM 1081 N VAL A 68 -9.876 -9.612 -10.550 1.00 40.53 N ATOM 1082 CA VAL A 68 -11.010 -9.098 -9.801 1.00 73.11 C ATOM 1083 C VAL A 68 -10.774 -9.326 -8.307 1.00 34.42 C ATOM 1084 O VAL A 68 -11.381 -8.660 -7.470 1.00 12.30 O ATOM 1085 CB VAL A 68 -12.305 -9.739 -10.307 1.00 5.32 C ATOM 1086 CG1 VAL A 68 -13.450 -9.516 -9.317 1.00 4.11 C ATOM 1087 CG2 VAL A 68 -12.670 -9.212 -11.696 1.00 73.41 C ATOM 0 H VAL A 68 -10.058 -10.476 -11.061 1.00 40.53 H new ATOM 0 HA VAL A 68 -11.114 -8.024 -9.953 1.00 73.11 H new ATOM 0 HB VAL A 68 -12.138 -10.813 -10.389 1.00 5.32 H new ATOM 0 HG11 VAL A 68 -14.358 -9.981 -9.700 1.00 4.11 H new ATOM 0 HG12 VAL A 68 -13.192 -9.961 -8.356 1.00 4.11 H new ATOM 0 HG13 VAL A 68 -13.617 -8.447 -9.188 1.00 4.11 H new ATOM 0 HG21 VAL A 68 -13.594 -9.683 -12.033 1.00 73.41 H new ATOM 0 HG22 VAL A 68 -12.809 -8.132 -11.650 1.00 73.41 H new ATOM 0 HG23 VAL A 68 -11.868 -9.445 -12.396 1.00 73.41 H new ATOM 1097 N ALA A 69 -9.891 -10.271 -8.017 1.00 55.21 N ATOM 1098 CA ALA A 69 -9.568 -10.595 -6.638 1.00 61.32 C ATOM 1099 C ALA A 69 -8.514 -9.614 -6.122 1.00 11.34 C ATOM 1100 O ALA A 69 -8.654 -9.065 -5.030 1.00 13.22 O ATOM 1101 CB ALA A 69 -9.102 -12.050 -6.552 1.00 3.02 C ATOM 0 H ALA A 69 -9.390 -10.822 -8.713 1.00 55.21 H new ATOM 0 HA ALA A 69 -10.449 -10.496 -6.004 1.00 61.32 H new ATOM 0 HB1 ALA A 69 -8.859 -12.294 -5.518 1.00 3.02 H new ATOM 0 HB2 ALA A 69 -9.897 -12.708 -6.903 1.00 3.02 H new ATOM 0 HB3 ALA A 69 -8.217 -12.186 -7.174 1.00 3.02 H new ATOM 1107 N LYS A 70 -7.483 -9.423 -6.931 1.00 4.53 N ATOM 1108 CA LYS A 70 -6.406 -8.517 -6.569 1.00 44.41 C ATOM 1109 C LYS A 70 -6.999 -7.185 -6.105 1.00 32.23 C ATOM 1110 O LYS A 70 -6.728 -6.735 -4.993 1.00 13.14 O ATOM 1111 CB LYS A 70 -5.412 -8.377 -7.724 1.00 61.42 C ATOM 1112 CG LYS A 70 -4.386 -9.512 -7.705 1.00 20.43 C ATOM 1113 CD LYS A 70 -3.170 -9.168 -8.568 1.00 15.44 C ATOM 1114 CE LYS A 70 -3.446 -9.458 -10.044 1.00 73.02 C ATOM 1115 NZ LYS A 70 -2.183 -9.465 -10.816 1.00 32.34 N ATOM 0 H LYS A 70 -7.370 -9.880 -7.836 1.00 4.53 H new ATOM 0 HA LYS A 70 -5.835 -8.921 -5.733 1.00 44.41 H new ATOM 0 HB2 LYS A 70 -5.948 -8.383 -8.673 1.00 61.42 H new ATOM 0 HB3 LYS A 70 -4.900 -7.418 -7.653 1.00 61.42 H new ATOM 0 HG2 LYS A 70 -4.067 -9.701 -6.680 1.00 20.43 H new ATOM 0 HG3 LYS A 70 -4.847 -10.430 -8.070 1.00 20.43 H new ATOM 0 HD2 LYS A 70 -2.916 -8.116 -8.442 1.00 15.44 H new ATOM 0 HD3 LYS A 70 -2.308 -9.746 -8.235 1.00 15.44 H new ATOM 0 HE2 LYS A 70 -3.946 -10.422 -10.144 1.00 73.02 H new ATOM 0 HE3 LYS A 70 -4.122 -8.705 -10.448 1.00 73.02 H new ATOM 0 HZ1 LYS A 70 -2.398 -9.511 -11.833 1.00 32.34 H new ATOM 0 HZ2 LYS A 70 -1.648 -8.597 -10.614 1.00 32.34 H new ATOM 0 HZ3 LYS A 70 -1.615 -10.293 -10.545 1.00 32.34 H new ATOM 1128 N GLU A 71 -7.798 -6.592 -6.980 1.00 62.51 N ATOM 1129 CA GLU A 71 -8.432 -5.322 -6.674 1.00 10.42 C ATOM 1130 C GLU A 71 -9.023 -5.350 -5.263 1.00 10.32 C ATOM 1131 O GLU A 71 -9.157 -4.309 -4.621 1.00 40.12 O ATOM 1132 CB GLU A 71 -9.504 -4.980 -7.710 1.00 50.25 C ATOM 1133 CG GLU A 71 -8.889 -4.286 -8.927 1.00 43.23 C ATOM 1134 CD GLU A 71 -9.908 -3.373 -9.612 1.00 32.13 C ATOM 1135 OE1 GLU A 71 -11.081 -3.750 -9.753 1.00 50.01 O ATOM 1136 OE2 GLU A 71 -9.445 -2.234 -10.003 1.00 23.45 O ATOM 0 H GLU A 71 -8.021 -6.968 -7.901 1.00 62.51 H new ATOM 0 HA GLU A 71 -7.673 -4.541 -6.714 1.00 10.42 H new ATOM 0 HB2 GLU A 71 -10.014 -5.890 -8.025 1.00 50.25 H new ATOM 0 HB3 GLU A 71 -10.257 -4.333 -7.260 1.00 50.25 H new ATOM 0 HG2 GLU A 71 -8.023 -3.702 -8.617 1.00 43.23 H new ATOM 0 HG3 GLU A 71 -8.532 -5.034 -9.635 1.00 43.23 H new ATOM 1144 N MET A 72 -9.361 -6.552 -4.821 1.00 63.30 N ATOM 1145 CA MET A 72 -9.934 -6.730 -3.498 1.00 13.32 C ATOM 1146 C MET A 72 -8.877 -6.526 -2.410 1.00 55.23 C ATOM 1147 O MET A 72 -9.160 -5.936 -1.368 1.00 45.25 O ATOM 1148 CB MET A 72 -10.523 -8.137 -3.381 1.00 24.23 C ATOM 1149 CG MET A 72 -11.681 -8.166 -2.381 1.00 45.10 C ATOM 1150 SD MET A 72 -13.174 -7.575 -3.160 1.00 10.14 S ATOM 1151 CE MET A 72 -13.499 -8.930 -4.275 1.00 33.10 C ATOM 0 H MET A 72 -9.249 -7.413 -5.356 1.00 63.30 H new ATOM 0 HA MET A 72 -10.718 -5.986 -3.360 1.00 13.32 H new ATOM 0 HB2 MET A 72 -10.873 -8.471 -4.358 1.00 24.23 H new ATOM 0 HB3 MET A 72 -9.747 -8.835 -3.065 1.00 24.23 H new ATOM 0 HG2 MET A 72 -11.830 -9.181 -2.014 1.00 45.10 H new ATOM 0 HG3 MET A 72 -11.442 -7.546 -1.517 1.00 45.10 H new ATOM 0 HE1 MET A 72 -13.813 -8.538 -5.242 1.00 33.10 H new ATOM 0 HE2 MET A 72 -12.593 -9.523 -4.401 1.00 33.10 H new ATOM 0 HE3 MET A 72 -14.289 -9.558 -3.864 1.00 33.10 H new ATOM 1161 N LEU A 73 -7.683 -7.025 -2.690 1.00 23.41 N ATOM 1162 CA LEU A 73 -6.582 -6.905 -1.749 1.00 33.55 C ATOM 1163 C LEU A 73 -6.531 -5.474 -1.210 1.00 71.22 C ATOM 1164 O LEU A 73 -6.480 -5.264 0.001 1.00 64.14 O ATOM 1165 CB LEU A 73 -5.274 -7.368 -2.392 1.00 44.44 C ATOM 1166 CG LEU A 73 -5.190 -8.853 -2.751 1.00 54.32 C ATOM 1167 CD1 LEU A 73 -3.736 -9.326 -2.795 1.00 11.44 C ATOM 1168 CD2 LEU A 73 -6.039 -9.696 -1.797 1.00 50.42 C ATOM 0 H LEU A 73 -7.453 -7.514 -3.555 1.00 23.41 H new ATOM 0 HA LEU A 73 -6.739 -7.562 -0.894 1.00 33.55 H new ATOM 0 HB2 LEU A 73 -5.113 -6.786 -3.299 1.00 44.44 H new ATOM 0 HB3 LEU A 73 -4.455 -7.132 -1.712 1.00 44.44 H new ATOM 0 HG LEU A 73 -5.601 -8.986 -3.752 1.00 54.32 H new ATOM 0 HD11 LEU A 73 -3.705 -10.385 -3.052 1.00 11.44 H new ATOM 0 HD12 LEU A 73 -3.190 -8.754 -3.545 1.00 11.44 H new ATOM 0 HD13 LEU A 73 -3.275 -9.177 -1.819 1.00 11.44 H new ATOM 0 HD21 LEU A 73 -5.962 -10.747 -2.074 1.00 50.42 H new ATOM 0 HD22 LEU A 73 -5.681 -9.562 -0.776 1.00 50.42 H new ATOM 0 HD23 LEU A 73 -7.080 -9.380 -1.860 1.00 50.42 H new ATOM 1180 N ALA A 74 -6.547 -4.527 -2.136 1.00 41.23 N ATOM 1181 CA ALA A 74 -6.503 -3.121 -1.770 1.00 22.40 C ATOM 1182 C ALA A 74 -7.639 -2.818 -0.791 1.00 23.21 C ATOM 1183 O ALA A 74 -7.454 -2.068 0.166 1.00 14.21 O ATOM 1184 CB ALA A 74 -6.577 -2.262 -3.033 1.00 51.25 C ATOM 0 H ALA A 74 -6.590 -4.705 -3.139 1.00 41.23 H new ATOM 0 HA ALA A 74 -5.564 -2.884 -1.269 1.00 22.40 H new ATOM 0 HB1 ALA A 74 -6.544 -1.208 -2.758 1.00 51.25 H new ATOM 0 HB2 ALA A 74 -5.732 -2.495 -3.681 1.00 51.25 H new ATOM 0 HB3 ALA A 74 -7.508 -2.470 -3.561 1.00 51.25 H new ATOM 1190 N GLU A 75 -8.788 -3.417 -1.064 1.00 74.32 N ATOM 1191 CA GLU A 75 -9.954 -3.221 -0.219 1.00 51.34 C ATOM 1192 C GLU A 75 -9.827 -4.049 1.061 1.00 14.40 C ATOM 1193 O GLU A 75 -10.507 -3.778 2.050 1.00 54.55 O ATOM 1194 CB GLU A 75 -11.241 -3.567 -0.971 1.00 62.22 C ATOM 1195 CG GLU A 75 -11.582 -2.488 -2.001 1.00 22.02 C ATOM 1196 CD GLU A 75 -13.044 -2.590 -2.438 1.00 75.11 C ATOM 1197 OE1 GLU A 75 -13.544 -1.701 -3.143 1.00 52.12 O ATOM 1198 OE2 GLU A 75 -13.666 -3.640 -2.020 1.00 74.22 O ATOM 0 H GLU A 75 -8.937 -4.039 -1.859 1.00 74.32 H new ATOM 0 HA GLU A 75 -10.006 -2.168 0.057 1.00 51.34 H new ATOM 0 HB2 GLU A 75 -11.127 -4.529 -1.471 1.00 62.22 H new ATOM 0 HB3 GLU A 75 -12.063 -3.672 -0.263 1.00 62.22 H new ATOM 0 HG2 GLU A 75 -11.394 -1.502 -1.576 1.00 22.02 H new ATOM 0 HG3 GLU A 75 -10.931 -2.590 -2.869 1.00 22.02 H new ATOM 1206 N ASN A 76 -8.952 -5.041 1.002 1.00 71.44 N ATOM 1207 CA ASN A 76 -8.728 -5.911 2.144 1.00 5.52 C ATOM 1208 C ASN A 76 -7.585 -5.347 2.992 1.00 54.32 C ATOM 1209 O ASN A 76 -7.381 -5.773 4.127 1.00 20.42 O ATOM 1210 CB ASN A 76 -8.333 -7.319 1.696 1.00 44.14 C ATOM 1211 CG ASN A 76 -9.561 -8.120 1.258 1.00 2.43 C ATOM 1212 OD1 ASN A 76 -10.569 -8.182 1.942 1.00 13.31 O ATOM 1213 ND2 ASN A 76 -9.420 -8.727 0.084 1.00 73.33 N ATOM 0 H ASN A 76 -8.389 -5.262 0.181 1.00 71.44 H new ATOM 0 HA ASN A 76 -9.655 -5.962 2.716 1.00 5.52 H new ATOM 0 HB2 ASN A 76 -7.622 -7.256 0.872 1.00 44.14 H new ATOM 0 HB3 ASN A 76 -7.829 -7.836 2.513 1.00 44.14 H new ATOM 0 HD21 ASN A 76 -10.184 -9.287 -0.296 1.00 73.33 H new ATOM 0 HD22 ASN A 76 -8.548 -8.633 -0.437 1.00 73.33 H new ATOM 1220 N ASN A 77 -6.871 -4.396 2.407 1.00 21.24 N ATOM 1221 CA ASN A 77 -5.755 -3.769 3.095 1.00 64.53 C ATOM 1222 C ASN A 77 -4.709 -4.833 3.435 1.00 22.11 C ATOM 1223 O ASN A 77 -4.027 -4.735 4.455 1.00 75.15 O ATOM 1224 CB ASN A 77 -6.209 -3.118 4.402 1.00 3.42 C ATOM 1225 CG ASN A 77 -6.870 -1.763 4.139 1.00 61.22 C ATOM 1226 OD1 ASN A 77 -7.825 -1.798 3.214 1.00 62.24 O flip ATOM 1227 ND2 ASN A 77 -6.535 -0.753 4.736 1.00 33.23 N flip ATOM 0 H ASN A 77 -7.044 -4.045 1.465 1.00 21.24 H new ATOM 0 HA ASN A 77 -5.340 -3.005 2.438 1.00 64.53 H new ATOM 0 HB2 ASN A 77 -6.911 -3.775 4.915 1.00 3.42 H new ATOM 0 HB3 ASN A 77 -5.353 -2.987 5.064 1.00 3.42 H new ATOM 0 HD21 ASN A 77 -5.793 -0.796 5.435 1.00 33.23 H new ATOM 0 HD22 ASN A 77 -6.997 0.134 4.536 1.00 33.23 H new ATOM 1234 N GLU A 78 -4.615 -5.825 2.562 1.00 25.21 N ATOM 1235 CA GLU A 78 -3.663 -6.906 2.757 1.00 32.13 C ATOM 1236 C GLU A 78 -2.600 -6.882 1.658 1.00 63.43 C ATOM 1237 O GLU A 78 -2.791 -6.253 0.618 1.00 24.21 O ATOM 1238 CB GLU A 78 -4.374 -8.260 2.804 1.00 61.24 C ATOM 1239 CG GLU A 78 -4.977 -8.610 1.442 1.00 54.43 C ATOM 1240 CD GLU A 78 -6.106 -9.633 1.588 1.00 3.42 C ATOM 1241 OE1 GLU A 78 -7.148 -9.504 0.929 1.00 71.51 O ATOM 1242 OE2 GLU A 78 -5.870 -10.588 2.422 1.00 71.42 O ATOM 0 H GLU A 78 -5.182 -5.903 1.718 1.00 25.21 H new ATOM 0 HA GLU A 78 -3.167 -6.759 3.717 1.00 32.13 H new ATOM 0 HB2 GLU A 78 -3.668 -9.035 3.103 1.00 61.24 H new ATOM 0 HB3 GLU A 78 -5.160 -8.236 3.559 1.00 61.24 H new ATOM 0 HG2 GLU A 78 -5.359 -7.707 0.967 1.00 54.43 H new ATOM 0 HG3 GLU A 78 -4.201 -9.010 0.789 1.00 54.43 H new ATOM 1250 N LYS A 79 -1.503 -7.575 1.925 1.00 64.54 N ATOM 1251 CA LYS A 79 -0.409 -7.642 0.971 1.00 44.23 C ATOM 1252 C LYS A 79 -0.142 -9.104 0.608 1.00 23.11 C ATOM 1253 O LYS A 79 0.965 -9.455 0.202 1.00 2.42 O ATOM 1254 CB LYS A 79 0.820 -6.908 1.513 1.00 60.54 C ATOM 1255 CG LYS A 79 0.637 -5.392 1.424 1.00 60.05 C ATOM 1256 CD LYS A 79 -0.084 -4.853 2.661 1.00 72.23 C ATOM 1257 CE LYS A 79 0.900 -4.612 3.807 1.00 33.33 C ATOM 1258 NZ LYS A 79 1.972 -3.684 3.384 1.00 71.23 N ATOM 0 H LYS A 79 -1.348 -8.095 2.789 1.00 64.54 H new ATOM 0 HA LYS A 79 -0.677 -7.129 0.048 1.00 44.23 H new ATOM 0 HB2 LYS A 79 0.992 -7.197 2.550 1.00 60.54 H new ATOM 0 HB3 LYS A 79 1.704 -7.205 0.948 1.00 60.54 H new ATOM 0 HG2 LYS A 79 1.610 -4.910 1.327 1.00 60.05 H new ATOM 0 HG3 LYS A 79 0.067 -5.143 0.529 1.00 60.05 H new ATOM 0 HD2 LYS A 79 -0.594 -3.922 2.413 1.00 72.23 H new ATOM 0 HD3 LYS A 79 -0.850 -5.561 2.977 1.00 72.23 H new ATOM 0 HE2 LYS A 79 0.372 -4.199 4.667 1.00 33.33 H new ATOM 0 HE3 LYS A 79 1.336 -5.559 4.125 1.00 33.33 H new ATOM 0 HZ1 LYS A 79 2.307 -3.142 4.206 1.00 71.23 H new ATOM 0 HZ2 LYS A 79 2.763 -4.227 2.982 1.00 71.23 H new ATOM 0 HZ3 LYS A 79 1.601 -3.029 2.666 1.00 71.23 H new ATOM 1271 N PHE A 80 -1.175 -9.918 0.768 1.00 62.02 N ATOM 1272 CA PHE A 80 -1.066 -11.334 0.462 1.00 21.43 C ATOM 1273 C PHE A 80 -2.429 -11.921 0.089 1.00 23.42 C ATOM 1274 O PHE A 80 -3.424 -11.201 0.029 1.00 4.44 O ATOM 1275 CB PHE A 80 -0.555 -12.027 1.727 1.00 2.34 C ATOM 1276 CG PHE A 80 -1.633 -12.263 2.787 1.00 54.44 C ATOM 1277 CD1 PHE A 80 -2.097 -11.221 3.528 1.00 34.32 C ATOM 1278 CD2 PHE A 80 -2.128 -13.514 2.986 1.00 12.45 C ATOM 1279 CE1 PHE A 80 -3.099 -11.440 4.511 1.00 24.22 C ATOM 1280 CE2 PHE A 80 -3.129 -13.732 3.969 1.00 32.45 C ATOM 1281 CZ PHE A 80 -3.593 -12.691 4.711 1.00 33.21 C ATOM 0 H PHE A 80 -2.091 -9.624 1.106 1.00 62.02 H new ATOM 0 HA PHE A 80 -0.393 -11.481 -0.383 1.00 21.43 H new ATOM 0 HB2 PHE A 80 -0.115 -12.986 1.451 1.00 2.34 H new ATOM 0 HB3 PHE A 80 0.242 -11.424 2.162 1.00 2.34 H new ATOM 0 HD1 PHE A 80 -1.704 -10.228 3.369 1.00 34.32 H new ATOM 0 HD2 PHE A 80 -1.760 -14.341 2.397 1.00 12.45 H new ATOM 0 HE1 PHE A 80 -3.468 -10.613 5.099 1.00 24.22 H new ATOM 0 HE2 PHE A 80 -3.522 -14.725 4.128 1.00 32.45 H new ATOM 0 HZ PHE A 80 -4.354 -12.858 5.459 1.00 33.21 H new ATOM 1291 N LEU A 81 -2.430 -13.224 -0.152 1.00 33.10 N ATOM 1292 CA LEU A 81 -3.655 -13.916 -0.518 1.00 25.14 C ATOM 1293 C LEU A 81 -3.673 -15.296 0.144 1.00 4.50 C ATOM 1294 O LEU A 81 -2.657 -15.749 0.670 1.00 73.24 O ATOM 1295 CB LEU A 81 -3.810 -13.962 -2.039 1.00 13.40 C ATOM 1296 CG LEU A 81 -5.133 -14.527 -2.561 1.00 40.52 C ATOM 1297 CD1 LEU A 81 -5.515 -13.883 -3.896 1.00 21.43 C ATOM 1298 CD2 LEU A 81 -5.078 -16.053 -2.655 1.00 53.41 C ATOM 0 H LEU A 81 -1.603 -13.819 -0.101 1.00 33.10 H new ATOM 0 HA LEU A 81 -4.525 -13.373 -0.148 1.00 25.14 H new ATOM 0 HB2 LEU A 81 -3.691 -12.950 -2.427 1.00 13.40 H new ATOM 0 HB3 LEU A 81 -2.996 -14.559 -2.450 1.00 13.40 H new ATOM 0 HG LEU A 81 -5.918 -14.277 -1.847 1.00 40.52 H new ATOM 0 HD11 LEU A 81 -6.459 -14.302 -4.245 1.00 21.43 H new ATOM 0 HD12 LEU A 81 -5.623 -12.807 -3.763 1.00 21.43 H new ATOM 0 HD13 LEU A 81 -4.736 -14.081 -4.632 1.00 21.43 H new ATOM 0 HD21 LEU A 81 -6.030 -16.429 -3.028 1.00 53.41 H new ATOM 0 HD22 LEU A 81 -4.279 -16.347 -3.336 1.00 53.41 H new ATOM 0 HD23 LEU A 81 -4.885 -16.472 -1.667 1.00 53.41 H new ATOM 1310 N ASN A 82 -4.838 -15.924 0.097 1.00 70.05 N ATOM 1311 CA ASN A 82 -5.002 -17.243 0.685 1.00 43.52 C ATOM 1312 C ASN A 82 -5.502 -18.215 -0.385 1.00 60.12 C ATOM 1313 O ASN A 82 -6.627 -18.089 -0.867 1.00 2.22 O ATOM 1314 CB ASN A 82 -6.030 -17.216 1.818 1.00 64.43 C ATOM 1315 CG ASN A 82 -6.438 -18.635 2.220 1.00 54.11 C ATOM 1316 OD1 ASN A 82 -6.010 -19.169 3.230 1.00 72.44 O ATOM 1317 ND2 ASN A 82 -7.289 -19.213 1.376 1.00 3.41 N ATOM 0 H ASN A 82 -5.678 -15.544 -0.339 1.00 70.05 H new ATOM 0 HA ASN A 82 -4.037 -17.559 1.081 1.00 43.52 H new ATOM 0 HB2 ASN A 82 -5.613 -16.695 2.680 1.00 64.43 H new ATOM 0 HB3 ASN A 82 -6.910 -16.656 1.502 1.00 64.43 H new ATOM 0 HD21 ASN A 82 -7.623 -20.160 1.557 1.00 3.41 H new ATOM 0 HD22 ASN A 82 -7.608 -18.709 0.548 1.00 3.41 H new ATOM 1324 N ILE A 83 -4.642 -19.164 -0.726 1.00 0.43 N ATOM 1325 CA ILE A 83 -4.983 -20.157 -1.730 1.00 25.21 C ATOM 1326 C ILE A 83 -5.411 -21.451 -1.036 1.00 31.54 C ATOM 1327 O ILE A 83 -5.067 -21.682 0.123 1.00 60.25 O ATOM 1328 CB ILE A 83 -3.826 -20.341 -2.715 1.00 34.40 C ATOM 1329 CG1 ILE A 83 -3.611 -19.078 -3.550 1.00 40.41 C ATOM 1330 CG2 ILE A 83 -4.044 -21.577 -3.591 1.00 0.03 C ATOM 1331 CD1 ILE A 83 -4.684 -18.947 -4.633 1.00 44.23 C ATOM 0 H ILE A 83 -3.710 -19.266 -0.325 1.00 0.43 H new ATOM 0 HA ILE A 83 -5.830 -19.820 -2.327 1.00 25.21 H new ATOM 0 HB ILE A 83 -2.913 -20.508 -2.143 1.00 34.40 H new ATOM 0 HG12 ILE A 83 -3.634 -18.201 -2.902 1.00 40.41 H new ATOM 0 HG13 ILE A 83 -2.624 -19.107 -4.012 1.00 40.41 H new ATOM 0 HG21 ILE A 83 -3.208 -21.685 -4.282 1.00 0.03 H new ATOM 0 HG22 ILE A 83 -4.110 -22.463 -2.960 1.00 0.03 H new ATOM 0 HG23 ILE A 83 -4.969 -21.464 -4.156 1.00 0.03 H new ATOM 0 HD11 ILE A 83 -4.508 -18.041 -5.212 1.00 44.23 H new ATOM 0 HD12 ILE A 83 -4.642 -19.813 -5.293 1.00 44.23 H new ATOM 0 HD13 ILE A 83 -5.668 -18.894 -4.166 1.00 44.23 H new ATOM 1343 N ARG A 84 -6.156 -22.262 -1.773 1.00 30.12 N ATOM 1344 CA ARG A 84 -6.635 -23.527 -1.243 1.00 32.25 C ATOM 1345 C ARG A 84 -6.592 -24.607 -2.325 1.00 61.24 C ATOM 1346 O ARG A 84 -6.771 -24.314 -3.507 1.00 34.55 O ATOM 1347 CB ARG A 84 -8.067 -23.398 -0.718 1.00 43.31 C ATOM 1348 CG ARG A 84 -8.394 -24.522 0.267 1.00 63.35 C ATOM 1349 CD ARG A 84 -8.041 -24.116 1.699 1.00 34.41 C ATOM 1350 NE ARG A 84 -9.172 -23.382 2.310 1.00 70.14 N ATOM 1351 CZ ARG A 84 -10.263 -23.976 2.839 1.00 41.14 C ATOM 1352 NH1 ARG A 84 -10.380 -25.321 2.836 1.00 2.12 N ATOM 1353 NH2 ARG A 84 -11.214 -23.222 3.358 1.00 4.21 N ATOM 0 H ARG A 84 -6.440 -22.067 -2.733 1.00 30.12 H new ATOM 0 HA ARG A 84 -5.981 -23.809 -0.418 1.00 32.25 H new ATOM 0 HB2 ARG A 84 -8.193 -22.432 -0.228 1.00 43.31 H new ATOM 0 HB3 ARG A 84 -8.768 -23.426 -1.552 1.00 43.31 H new ATOM 0 HG2 ARG A 84 -9.454 -24.767 0.206 1.00 63.35 H new ATOM 0 HG3 ARG A 84 -7.843 -25.422 -0.006 1.00 63.35 H new ATOM 0 HD2 ARG A 84 -7.810 -25.002 2.290 1.00 34.41 H new ATOM 0 HD3 ARG A 84 -7.148 -23.491 1.699 1.00 34.41 H new ATOM 0 HE ARG A 84 -9.124 -22.363 2.333 1.00 70.14 H new ATOM 0 HH11 ARG A 84 -9.641 -25.896 2.432 1.00 2.12 H new ATOM 0 HH12 ARG A 84 -11.207 -25.762 3.238 1.00 2.12 H new ATOM 0 HH21 ARG A 84 -11.118 -22.207 3.355 1.00 4.21 H new ATOM 0 HH22 ARG A 84 -12.045 -23.655 3.762 1.00 4.21 H new ATOM 1366 N LEU A 85 -6.353 -25.833 -1.884 1.00 64.31 N ATOM 1367 CA LEU A 85 -6.283 -26.958 -2.801 1.00 33.50 C ATOM 1368 C LEU A 85 -7.038 -28.147 -2.201 1.00 53.54 C ATOM 1369 O LEU A 85 -6.757 -28.562 -1.078 1.00 71.44 O ATOM 1370 CB LEU A 85 -4.828 -27.271 -3.157 1.00 55.41 C ATOM 1371 CG LEU A 85 -4.172 -26.336 -4.175 1.00 3.21 C ATOM 1372 CD1 LEU A 85 -2.714 -26.730 -4.421 1.00 31.42 C ATOM 1373 CD2 LEU A 85 -4.979 -26.285 -5.474 1.00 22.43 C ATOM 0 H LEU A 85 -6.205 -26.072 -0.904 1.00 64.31 H new ATOM 0 HA LEU A 85 -6.771 -26.711 -3.744 1.00 33.50 H new ATOM 0 HB2 LEU A 85 -4.238 -27.250 -2.241 1.00 55.41 H new ATOM 0 HB3 LEU A 85 -4.780 -28.289 -3.544 1.00 55.41 H new ATOM 0 HG LEU A 85 -4.168 -25.328 -3.760 1.00 3.21 H new ATOM 0 HD11 LEU A 85 -2.271 -26.050 -5.148 1.00 31.42 H new ATOM 0 HD12 LEU A 85 -2.159 -26.672 -3.485 1.00 31.42 H new ATOM 0 HD13 LEU A 85 -2.672 -27.749 -4.805 1.00 31.42 H new ATOM 0 HD21 LEU A 85 -4.490 -25.613 -6.180 1.00 22.43 H new ATOM 0 HD22 LEU A 85 -5.038 -27.284 -5.905 1.00 22.43 H new ATOM 0 HD23 LEU A 85 -5.985 -25.921 -5.264 1.00 22.43 H new ATOM 1385 N TYR A 86 -7.982 -28.659 -2.977 1.00 70.41 N ATOM 1386 CA TYR A 86 -8.779 -29.791 -2.537 1.00 35.43 C ATOM 1387 C TYR A 86 -9.096 -29.691 -1.043 1.00 55.12 C ATOM 1388 O TYR A 86 -8.372 -30.238 -0.213 1.00 40.31 O ATOM 1389 CB TYR A 86 -7.920 -31.033 -2.781 1.00 61.20 C ATOM 1390 CG TYR A 86 -8.131 -31.676 -4.153 1.00 43.34 C ATOM 1391 CD1 TYR A 86 -9.408 -31.950 -4.598 1.00 50.22 C ATOM 1392 CD2 TYR A 86 -7.043 -31.981 -4.947 1.00 34.22 C ATOM 1393 CE1 TYR A 86 -9.606 -32.554 -5.890 1.00 34.50 C ATOM 1394 CE2 TYR A 86 -7.242 -32.586 -6.238 1.00 43.15 C ATOM 1395 CZ TYR A 86 -8.513 -32.843 -6.646 1.00 55.33 C ATOM 1396 OH TYR A 86 -8.701 -33.414 -7.866 1.00 42.23 O ATOM 0 H TYR A 86 -8.213 -28.311 -3.908 1.00 70.41 H new ATOM 0 HA TYR A 86 -9.726 -29.825 -3.076 1.00 35.43 H new ATOM 0 HB2 TYR A 86 -6.869 -30.762 -2.676 1.00 61.20 H new ATOM 0 HB3 TYR A 86 -8.138 -31.770 -2.008 1.00 61.20 H new ATOM 0 HD1 TYR A 86 -10.259 -31.711 -3.977 1.00 50.22 H new ATOM 0 HD2 TYR A 86 -6.043 -31.766 -4.600 1.00 34.22 H new ATOM 0 HE1 TYR A 86 -10.600 -32.773 -6.251 1.00 34.50 H new ATOM 0 HE2 TYR A 86 -6.400 -32.830 -6.869 1.00 43.15 H new ATOM 0 HH TYR A 86 -7.832 -33.563 -8.295 1.00 42.23 H new