USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 613 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 28 TYR OH : rot 74:sc= 0.0352 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.0749 X(o=-0.04,f=-0.15) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -130:sc= 0.477 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc=-0.00498 USER MOD Single : A 4 MET CE :methyl -162:sc= 0 (180deg=-0.422) USER MOD Single : A 5 GLN : amide:sc= -0.755 K(o=-0.75,f=-5.5!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 30 ASN : amide:sc= -1.27 K(o=-1.3,f=-1.8!) USER MOD Single : A 31 THR OG1 : rot -70:sc= 0.644 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0395 X(o=-0.039,f=-0.23) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -69:sc= 1.14 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.965 F(o=-1.8,f=-0.97) USER MOD Single : A 62 HIS : no HE2:sc= -10.8! C(o=-11!,f=-17!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00871 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= -1.29 (180deg=-1.68) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.932 5.318 -25.535 1.00 0.00 N ATOM 2 CA SER A 1 -4.948 4.761 -24.564 1.00 0.00 C ATOM 3 C SER A 1 -5.055 3.240 -24.547 1.00 0.00 C ATOM 4 O SER A 1 -6.147 2.680 -24.446 1.00 0.00 O ATOM 5 CB SER A 1 -5.244 5.309 -23.167 1.00 0.00 C ATOM 6 OG SER A 1 -4.378 4.688 -22.226 1.00 0.00 O ATOM 0 H1 SER A 1 -5.859 6.355 -25.547 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.731 4.946 -26.485 1.00 0.00 H new ATOM 0 H3 SER A 1 -6.894 5.042 -25.252 1.00 0.00 H new ATOM 0 HA SER A 1 -3.940 5.051 -24.862 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.103 6.390 -23.150 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.284 5.119 -22.902 1.00 0.00 H new ATOM 0 HG SER A 1 -4.904 4.347 -21.472 1.00 0.00 H new ATOM 14 N LYS A 2 -3.906 2.577 -24.648 1.00 0.00 N ATOM 15 CA LYS A 2 -3.877 1.116 -24.644 1.00 0.00 C ATOM 16 C LYS A 2 -2.813 0.606 -23.675 1.00 0.00 C ATOM 17 O LYS A 2 -1.673 0.347 -24.060 1.00 0.00 O ATOM 18 CB LYS A 2 -3.578 0.574 -26.046 1.00 0.00 C ATOM 19 CG LYS A 2 -2.361 1.294 -26.637 1.00 0.00 C ATOM 20 CD LYS A 2 -2.828 2.425 -27.555 1.00 0.00 C ATOM 21 CE LYS A 2 -3.004 1.890 -28.977 1.00 0.00 C ATOM 22 NZ LYS A 2 -3.138 3.033 -29.924 1.00 0.00 N ATOM 0 H LYS A 2 -2.992 3.021 -24.733 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.859 0.765 -24.326 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.389 -0.498 -25.998 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.444 0.716 -26.692 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.739 1.695 -25.837 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.745 0.589 -27.196 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.769 2.837 -27.191 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.101 3.237 -27.548 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.149 1.273 -29.253 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.887 1.253 -29.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.258 2.670 -30.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.967 3.604 -29.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.283 3.623 -29.879 1.00 0.00 H new ATOM 36 N SER A 3 -3.202 0.466 -22.411 1.00 0.00 N ATOM 37 CA SER A 3 -2.276 -0.014 -21.387 1.00 0.00 C ATOM 38 C SER A 3 -2.988 -0.142 -20.044 1.00 0.00 C ATOM 39 O SER A 3 -2.767 -1.096 -19.296 1.00 0.00 O ATOM 40 CB SER A 3 -1.098 0.950 -21.236 1.00 0.00 C ATOM 41 OG SER A 3 -1.591 2.255 -20.965 1.00 0.00 O ATOM 0 H SER A 3 -4.141 0.675 -22.072 1.00 0.00 H new ATOM 0 HA SER A 3 -1.907 -0.991 -21.698 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.445 0.620 -20.428 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.500 0.957 -22.147 1.00 0.00 H new ATOM 0 HG SER A 3 -0.838 2.875 -20.866 1.00 0.00 H new ATOM 47 N MET A 4 -3.846 0.831 -19.745 1.00 0.00 N ATOM 48 CA MET A 4 -4.591 0.824 -18.486 1.00 0.00 C ATOM 49 C MET A 4 -5.441 -0.440 -18.370 1.00 0.00 C ATOM 50 O MET A 4 -5.400 -1.315 -19.236 1.00 0.00 O ATOM 51 CB MET A 4 -5.502 2.052 -18.397 1.00 0.00 C ATOM 52 CG MET A 4 -6.441 2.090 -19.607 1.00 0.00 C ATOM 53 SD MET A 4 -6.807 3.810 -20.040 1.00 0.00 S ATOM 54 CE MET A 4 -7.618 4.266 -18.489 1.00 0.00 C ATOM 0 H MET A 4 -4.042 1.628 -20.351 1.00 0.00 H new ATOM 0 HA MET A 4 -3.869 0.847 -17.669 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.083 2.019 -17.475 1.00 0.00 H new ATOM 0 HB3 MET A 4 -4.901 2.961 -18.363 1.00 0.00 H new ATOM 0 HG2 MET A 4 -5.980 1.582 -20.454 1.00 0.00 H new ATOM 0 HG3 MET A 4 -7.365 1.557 -19.380 1.00 0.00 H new ATOM 0 HE1 MET A 4 -8.205 5.172 -18.638 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.275 3.457 -18.170 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.864 4.444 -17.723 1.00 0.00 H new ATOM 64 N GLN A 5 -6.212 -0.525 -17.287 1.00 0.00 N ATOM 65 CA GLN A 5 -7.070 -1.686 -17.060 1.00 0.00 C ATOM 66 C GLN A 5 -6.232 -2.956 -16.954 1.00 0.00 C ATOM 67 O GLN A 5 -5.816 -3.529 -17.961 1.00 0.00 O ATOM 68 CB GLN A 5 -8.076 -1.846 -18.202 1.00 0.00 C ATOM 69 CG GLN A 5 -8.945 -0.591 -18.299 1.00 0.00 C ATOM 70 CD GLN A 5 -9.467 -0.441 -19.723 1.00 0.00 C ATOM 71 OE1 GLN A 5 -8.964 0.376 -20.494 1.00 0.00 O ATOM 72 NE2 GLN A 5 -10.458 -1.190 -20.123 1.00 0.00 N ATOM 0 H GLN A 5 -6.260 0.189 -16.560 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.608 -1.526 -16.126 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.551 -2.010 -19.143 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.702 -2.722 -18.029 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.779 -0.659 -17.600 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.365 0.288 -18.019 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.875 -1.867 -19.485 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.815 -1.098 -21.074 1.00 0.00 H new ATOM 81 N VAL A 6 -5.986 -3.386 -15.720 1.00 0.00 N ATOM 82 CA VAL A 6 -5.194 -4.590 -15.488 1.00 0.00 C ATOM 83 C VAL A 6 -5.960 -5.572 -14.596 1.00 0.00 C ATOM 84 O VAL A 6 -6.913 -5.187 -13.919 1.00 0.00 O ATOM 85 CB VAL A 6 -3.868 -4.233 -14.813 1.00 0.00 C ATOM 86 CG1 VAL A 6 -3.012 -3.409 -15.776 1.00 0.00 C ATOM 87 CG2 VAL A 6 -4.143 -3.417 -13.549 1.00 0.00 C ATOM 0 H VAL A 6 -6.319 -2.925 -14.873 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.997 -5.056 -16.454 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.338 -5.147 -14.547 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.067 -3.154 -15.296 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.816 -3.990 -16.677 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.542 -2.494 -16.042 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.199 -3.162 -13.068 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.673 -2.502 -13.815 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.753 -4.004 -12.863 1.00 0.00 H new ATOM 97 N PRO A 7 -5.559 -6.856 -14.582 1.00 0.00 N ATOM 98 CA PRO A 7 -6.234 -7.875 -13.758 1.00 0.00 C ATOM 99 C PRO A 7 -5.731 -7.885 -12.316 1.00 0.00 C ATOM 100 O PRO A 7 -5.079 -6.940 -11.872 1.00 0.00 O ATOM 101 CB PRO A 7 -5.862 -9.167 -14.479 1.00 0.00 C ATOM 102 CG PRO A 7 -4.578 -8.896 -15.257 1.00 0.00 C ATOM 103 CD PRO A 7 -4.420 -7.377 -15.374 1.00 0.00 C ATOM 0 HA PRO A 7 -7.307 -7.706 -13.667 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.715 -9.977 -13.765 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.662 -9.476 -15.152 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.720 -9.332 -14.745 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.625 -9.353 -16.245 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.464 -7.040 -14.974 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.466 -7.046 -16.412 1.00 0.00 H new ATOM 111 N PHE A 8 -6.046 -8.964 -11.596 1.00 0.00 N ATOM 112 CA PHE A 8 -5.630 -9.109 -10.197 1.00 0.00 C ATOM 113 C PHE A 8 -6.308 -8.065 -9.314 1.00 0.00 C ATOM 114 O PHE A 8 -7.227 -8.377 -8.556 1.00 0.00 O ATOM 115 CB PHE A 8 -4.109 -8.980 -10.056 1.00 0.00 C ATOM 116 CG PHE A 8 -3.434 -10.136 -10.753 1.00 0.00 C ATOM 117 CD1 PHE A 8 -3.339 -10.153 -12.150 1.00 0.00 C ATOM 118 CD2 PHE A 8 -2.902 -11.191 -10.003 1.00 0.00 C ATOM 119 CE1 PHE A 8 -2.712 -11.225 -12.796 1.00 0.00 C ATOM 120 CE2 PHE A 8 -2.275 -12.263 -10.649 1.00 0.00 C ATOM 121 CZ PHE A 8 -2.180 -12.281 -12.044 1.00 0.00 C ATOM 0 H PHE A 8 -6.587 -9.750 -11.957 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.933 -10.104 -9.872 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.773 -8.037 -10.487 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.832 -8.966 -9.002 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.749 -9.339 -12.729 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.975 -11.178 -8.926 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.638 -11.238 -13.873 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.864 -13.077 -10.070 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.697 -13.109 -12.542 1.00 0.00 H new ATOM 131 N SER A 9 -5.847 -6.817 -9.419 1.00 0.00 N ATOM 132 CA SER A 9 -6.409 -5.716 -8.626 1.00 0.00 C ATOM 133 C SER A 9 -6.001 -5.836 -7.159 1.00 0.00 C ATOM 134 O SER A 9 -5.303 -4.974 -6.624 1.00 0.00 O ATOM 135 CB SER A 9 -7.940 -5.689 -8.716 1.00 0.00 C ATOM 136 OG SER A 9 -8.334 -5.870 -10.069 1.00 0.00 O ATOM 0 H SER A 9 -5.088 -6.542 -10.043 1.00 0.00 H new ATOM 0 HA SER A 9 -6.011 -4.789 -9.040 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.366 -6.475 -8.093 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.321 -4.740 -8.338 1.00 0.00 H new ATOM 0 HG SER A 9 -9.312 -5.855 -10.130 1.00 0.00 H new ATOM 142 N ARG A 10 -6.447 -6.911 -6.508 1.00 0.00 N ATOM 143 CA ARG A 10 -6.125 -7.129 -5.096 1.00 0.00 C ATOM 144 C ARG A 10 -4.611 -7.130 -4.872 1.00 0.00 C ATOM 145 O ARG A 10 -4.039 -6.137 -4.424 1.00 0.00 O ATOM 146 CB ARG A 10 -6.715 -8.458 -4.610 1.00 0.00 C ATOM 147 CG ARG A 10 -8.225 -8.304 -4.418 1.00 0.00 C ATOM 148 CD ARG A 10 -8.686 -9.190 -3.259 1.00 0.00 C ATOM 149 NE ARG A 10 -8.989 -10.542 -3.733 1.00 0.00 N ATOM 150 CZ ARG A 10 -10.033 -10.799 -4.536 1.00 0.00 C ATOM 151 NH1 ARG A 10 -10.835 -9.842 -4.936 1.00 0.00 N ATOM 152 NH2 ARG A 10 -10.253 -12.024 -4.926 1.00 0.00 N ATOM 0 H ARG A 10 -7.026 -7.637 -6.929 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.563 -6.310 -4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.508 -9.247 -5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.246 -8.755 -3.672 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.472 -7.262 -4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.749 -8.582 -5.333 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.910 -9.232 -2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.570 -8.756 -2.792 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.387 -11.313 -3.444 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.671 -8.881 -4.637 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.623 -10.059 -5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.634 -12.775 -4.621 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.044 -12.231 -5.536 1.00 0.00 H new ATOM 166 N CYS A 11 -3.967 -8.249 -5.196 1.00 0.00 N ATOM 167 CA CYS A 11 -2.520 -8.353 -5.028 1.00 0.00 C ATOM 168 C CYS A 11 -1.876 -8.911 -6.287 1.00 0.00 C ATOM 169 O CYS A 11 -2.555 -9.314 -7.229 1.00 0.00 O ATOM 170 CB CYS A 11 -2.166 -9.258 -3.852 1.00 0.00 C ATOM 171 SG CYS A 11 -2.398 -8.352 -2.305 1.00 0.00 S ATOM 0 H CYS A 11 -4.416 -9.085 -5.571 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.142 -7.349 -4.833 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.794 -10.149 -3.862 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.133 -9.596 -3.937 1.00 0.00 H new ATOM 176 N CYS A 12 -0.550 -8.912 -6.293 1.00 0.00 N ATOM 177 CA CYS A 12 0.198 -9.402 -7.448 1.00 0.00 C ATOM 178 C CYS A 12 1.257 -10.420 -7.025 1.00 0.00 C ATOM 179 O CYS A 12 1.296 -10.862 -5.878 1.00 0.00 O ATOM 180 CB CYS A 12 0.882 -8.228 -8.163 1.00 0.00 C ATOM 181 SG CYS A 12 -0.353 -6.963 -8.537 1.00 0.00 S ATOM 0 H CYS A 12 0.028 -8.583 -5.520 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.505 -9.889 -8.124 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.668 -7.811 -7.534 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.357 -8.573 -9.081 1.00 0.00 H new ATOM 186 N PHE A 13 2.119 -10.782 -7.972 1.00 0.00 N ATOM 187 CA PHE A 13 3.188 -11.735 -7.698 1.00 0.00 C ATOM 188 C PHE A 13 4.511 -10.986 -7.612 1.00 0.00 C ATOM 189 O PHE A 13 5.360 -11.275 -6.770 1.00 0.00 O ATOM 190 CB PHE A 13 3.279 -12.782 -8.814 1.00 0.00 C ATOM 191 CG PHE A 13 3.657 -14.121 -8.225 1.00 0.00 C ATOM 192 CD1 PHE A 13 5.006 -14.464 -8.076 1.00 0.00 C ATOM 193 CD2 PHE A 13 2.658 -15.020 -7.831 1.00 0.00 C ATOM 194 CE1 PHE A 13 5.357 -15.706 -7.532 1.00 0.00 C ATOM 195 CE2 PHE A 13 3.009 -16.261 -7.287 1.00 0.00 C ATOM 196 CZ PHE A 13 4.358 -16.604 -7.137 1.00 0.00 C ATOM 0 H PHE A 13 2.098 -10.432 -8.930 1.00 0.00 H new ATOM 0 HA PHE A 13 2.974 -12.241 -6.757 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.324 -12.859 -9.333 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.020 -12.477 -9.553 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.776 -13.771 -8.381 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.617 -14.756 -7.947 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.398 -15.971 -7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.239 -16.954 -6.983 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.628 -17.561 -6.717 1.00 0.00 H new ATOM 206 N SER A 14 4.658 -10.005 -8.497 1.00 0.00 N ATOM 207 CA SER A 14 5.863 -9.188 -8.532 1.00 0.00 C ATOM 208 C SER A 14 5.555 -7.799 -7.983 1.00 0.00 C ATOM 209 O SER A 14 4.917 -6.982 -8.647 1.00 0.00 O ATOM 210 CB SER A 14 6.374 -9.056 -9.965 1.00 0.00 C ATOM 211 OG SER A 14 7.791 -8.949 -9.951 1.00 0.00 O ATOM 0 H SER A 14 3.959 -9.758 -9.197 1.00 0.00 H new ATOM 0 HA SER A 14 6.628 -9.668 -7.922 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.069 -9.922 -10.553 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.936 -8.178 -10.440 1.00 0.00 H new ATOM 0 HG SER A 14 8.122 -8.866 -10.870 1.00 0.00 H new ATOM 217 N PHE A 15 5.999 -7.546 -6.758 1.00 0.00 N ATOM 218 CA PHE A 15 5.746 -6.257 -6.121 1.00 0.00 C ATOM 219 C PHE A 15 6.810 -5.240 -6.535 1.00 0.00 C ATOM 220 O PHE A 15 7.645 -5.516 -7.396 1.00 0.00 O ATOM 221 CB PHE A 15 5.749 -6.420 -4.591 1.00 0.00 C ATOM 222 CG PHE A 15 4.443 -7.039 -4.098 1.00 0.00 C ATOM 223 CD1 PHE A 15 3.590 -7.741 -4.970 1.00 0.00 C ATOM 224 CD2 PHE A 15 4.092 -6.912 -2.748 1.00 0.00 C ATOM 225 CE1 PHE A 15 2.409 -8.300 -4.496 1.00 0.00 C ATOM 226 CE2 PHE A 15 2.902 -7.479 -2.275 1.00 0.00 C ATOM 227 CZ PHE A 15 2.061 -8.174 -3.149 1.00 0.00 C ATOM 0 H PHE A 15 6.530 -8.207 -6.190 1.00 0.00 H new ATOM 0 HA PHE A 15 4.770 -5.894 -6.443 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.588 -7.048 -4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.894 -5.448 -4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.854 -7.846 -6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.740 -6.376 -2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.758 -8.834 -5.172 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.634 -7.379 -1.234 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.144 -8.613 -2.784 1.00 0.00 H new ATOM 237 N ALA A 16 6.769 -4.061 -5.917 1.00 0.00 N ATOM 238 CA ALA A 16 7.730 -3.009 -6.231 1.00 0.00 C ATOM 239 C ALA A 16 8.901 -3.028 -5.243 1.00 0.00 C ATOM 240 O ALA A 16 9.426 -1.984 -4.855 1.00 0.00 O ATOM 241 CB ALA A 16 7.038 -1.640 -6.189 1.00 0.00 C ATOM 0 H ALA A 16 6.086 -3.813 -5.202 1.00 0.00 H new ATOM 0 HA ALA A 16 8.120 -3.188 -7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.761 -0.859 -6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.230 -1.618 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.631 -1.469 -5.193 1.00 0.00 H new ATOM 247 N GLU A 17 9.311 -4.231 -4.845 1.00 0.00 N ATOM 248 CA GLU A 17 10.424 -4.380 -3.910 1.00 0.00 C ATOM 249 C GLU A 17 11.712 -3.818 -4.508 1.00 0.00 C ATOM 250 O GLU A 17 12.606 -3.376 -3.788 1.00 0.00 O ATOM 251 CB GLU A 17 10.639 -5.854 -3.565 1.00 0.00 C ATOM 252 CG GLU A 17 9.490 -6.346 -2.684 1.00 0.00 C ATOM 253 CD GLU A 17 9.833 -6.102 -1.218 1.00 0.00 C ATOM 254 OE1 GLU A 17 10.083 -4.960 -0.871 1.00 0.00 O ATOM 255 OE2 GLU A 17 9.840 -7.062 -0.465 1.00 0.00 O ATOM 0 H GLU A 17 8.893 -5.109 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 17 10.174 -3.825 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.691 -6.448 -4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.589 -5.982 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.569 -5.825 -2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.315 -7.408 -2.856 1.00 0.00 H new ATOM 262 N GLN A 18 11.797 -3.842 -5.838 1.00 0.00 N ATOM 263 CA GLN A 18 12.982 -3.337 -6.529 1.00 0.00 C ATOM 264 C GLN A 18 13.205 -1.862 -6.208 1.00 0.00 C ATOM 265 O GLN A 18 12.477 -1.267 -5.413 1.00 0.00 O ATOM 266 CB GLN A 18 12.829 -3.506 -8.043 1.00 0.00 C ATOM 267 CG GLN A 18 11.553 -2.804 -8.514 1.00 0.00 C ATOM 268 CD GLN A 18 10.922 -3.599 -9.653 1.00 0.00 C ATOM 269 OE1 GLN A 18 11.523 -3.760 -10.714 1.00 0.00 O ATOM 270 NE2 GLN A 18 9.732 -4.112 -9.492 1.00 0.00 N ATOM 0 H GLN A 18 11.067 -4.202 -6.453 1.00 0.00 H new ATOM 0 HA GLN A 18 13.842 -3.912 -6.185 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.696 -3.088 -8.555 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.788 -4.565 -8.298 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.849 -2.714 -7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.784 -1.792 -8.848 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.234 -3.978 -8.612 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.301 -4.646 -10.246 1.00 0.00 H new ATOM 279 N GLU A 19 14.224 -1.280 -6.834 1.00 0.00 N ATOM 280 CA GLU A 19 14.540 0.128 -6.609 1.00 0.00 C ATOM 281 C GLU A 19 13.647 1.022 -7.466 1.00 0.00 C ATOM 282 O GLU A 19 14.074 1.564 -8.487 1.00 0.00 O ATOM 283 CB GLU A 19 16.009 0.408 -6.947 1.00 0.00 C ATOM 284 CG GLU A 19 16.860 0.268 -5.682 1.00 0.00 C ATOM 285 CD GLU A 19 18.286 -0.111 -6.066 1.00 0.00 C ATOM 286 OE1 GLU A 19 18.450 -1.113 -6.743 1.00 0.00 O ATOM 287 OE2 GLU A 19 19.194 0.606 -5.677 1.00 0.00 O ATOM 0 H GLU A 19 14.839 -1.755 -7.494 1.00 0.00 H new ATOM 0 HA GLU A 19 14.363 0.348 -5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.356 -0.288 -7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.113 1.412 -7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.859 1.205 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.434 -0.492 -5.027 1.00 0.00 H new ATOM 294 N ILE A 20 12.399 1.173 -7.034 1.00 0.00 N ATOM 295 CA ILE A 20 11.445 2.007 -7.760 1.00 0.00 C ATOM 296 C ILE A 20 11.330 3.384 -7.076 1.00 0.00 C ATOM 297 O ILE A 20 10.798 3.487 -5.971 1.00 0.00 O ATOM 298 CB ILE A 20 10.069 1.318 -7.803 1.00 0.00 C ATOM 299 CG1 ILE A 20 9.082 2.172 -8.616 1.00 0.00 C ATOM 300 CG2 ILE A 20 9.530 1.110 -6.381 1.00 0.00 C ATOM 301 CD1 ILE A 20 9.017 1.651 -10.053 1.00 0.00 C ATOM 0 H ILE A 20 12.026 0.733 -6.193 1.00 0.00 H new ATOM 0 HA ILE A 20 11.798 2.148 -8.782 1.00 0.00 H new ATOM 0 HB ILE A 20 10.180 0.345 -8.281 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.093 2.136 -8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.398 3.215 -8.610 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.557 0.622 -6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 20 10.222 0.485 -5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.428 2.076 -5.886 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.317 2.257 -10.628 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.006 1.710 -10.507 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.681 0.614 -10.049 1.00 0.00 H new ATOM 313 N PRO A 21 11.832 4.463 -7.706 1.00 0.00 N ATOM 314 CA PRO A 21 11.771 5.807 -7.109 1.00 0.00 C ATOM 315 C PRO A 21 10.464 6.534 -7.418 1.00 0.00 C ATOM 316 O PRO A 21 9.501 5.940 -7.903 1.00 0.00 O ATOM 317 CB PRO A 21 12.944 6.508 -7.781 1.00 0.00 C ATOM 318 CG PRO A 21 13.208 5.782 -9.098 1.00 0.00 C ATOM 319 CD PRO A 21 12.490 4.430 -9.033 1.00 0.00 C ATOM 0 HA PRO A 21 11.817 5.783 -6.020 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.714 7.558 -7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.827 6.480 -7.142 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.842 6.370 -9.940 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.278 5.641 -9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.765 4.319 -9.840 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.189 3.598 -9.116 1.00 0.00 H new ATOM 327 N LEU A 22 10.454 7.834 -7.137 1.00 0.00 N ATOM 328 CA LEU A 22 9.275 8.658 -7.393 1.00 0.00 C ATOM 329 C LEU A 22 9.149 8.966 -8.882 1.00 0.00 C ATOM 330 O LEU A 22 8.056 9.197 -9.391 1.00 0.00 O ATOM 331 CB LEU A 22 9.366 9.976 -6.618 1.00 0.00 C ATOM 332 CG LEU A 22 8.950 9.917 -5.143 1.00 0.00 C ATOM 333 CD1 LEU A 22 7.437 9.721 -5.055 1.00 0.00 C ATOM 334 CD2 LEU A 22 9.651 8.756 -4.439 1.00 0.00 C ATOM 0 H LEU A 22 11.244 8.338 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 22 8.398 8.101 -7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.393 10.336 -6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.743 10.715 -7.122 1.00 0.00 H new ATOM 0 HG LEU A 22 9.235 10.850 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.136 9.678 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.933 10.555 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.161 8.790 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.346 8.727 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.377 7.818 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.731 8.893 -4.498 1.00 0.00 H new ATOM 346 N ARG A 23 10.279 8.959 -9.583 1.00 0.00 N ATOM 347 CA ARG A 23 10.270 9.229 -11.016 1.00 0.00 C ATOM 348 C ARG A 23 9.435 8.183 -11.765 1.00 0.00 C ATOM 349 O ARG A 23 9.032 8.402 -12.908 1.00 0.00 O ATOM 350 CB ARG A 23 11.694 9.216 -11.572 1.00 0.00 C ATOM 351 CG ARG A 23 12.342 10.584 -11.349 1.00 0.00 C ATOM 352 CD ARG A 23 13.626 10.682 -12.174 1.00 0.00 C ATOM 353 NE ARG A 23 14.307 11.955 -11.923 1.00 0.00 N ATOM 354 CZ ARG A 23 15.557 12.190 -12.347 1.00 0.00 C ATOM 355 NH1 ARG A 23 16.233 11.281 -13.010 1.00 0.00 N ATOM 356 NH2 ARG A 23 16.113 13.342 -12.095 1.00 0.00 N ATOM 0 H ARG A 23 11.201 8.772 -9.188 1.00 0.00 H new ATOM 0 HA ARG A 23 9.828 10.214 -11.163 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.280 8.440 -11.081 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.678 8.978 -12.636 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.651 11.376 -11.637 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.565 10.724 -10.291 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.289 9.854 -11.924 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.390 10.593 -13.235 1.00 0.00 H new ATOM 0 HE ARG A 23 13.814 12.686 -11.409 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.808 10.376 -13.211 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.183 11.480 -13.324 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.597 14.055 -11.579 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.064 13.530 -12.413 1.00 0.00 H new ATOM 370 N ALA A 24 9.183 7.041 -11.118 1.00 0.00 N ATOM 371 CA ALA A 24 8.403 5.979 -11.749 1.00 0.00 C ATOM 372 C ALA A 24 7.029 5.841 -11.091 1.00 0.00 C ATOM 373 O ALA A 24 6.067 5.402 -11.722 1.00 0.00 O ATOM 374 CB ALA A 24 9.142 4.643 -11.643 1.00 0.00 C ATOM 0 H ALA A 24 9.503 6.832 -10.172 1.00 0.00 H new ATOM 0 HA ALA A 24 8.270 6.245 -12.798 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.549 3.861 -12.117 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.107 4.720 -12.143 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.296 4.395 -10.593 1.00 0.00 H new ATOM 380 N ILE A 25 6.946 6.214 -9.815 1.00 0.00 N ATOM 381 CA ILE A 25 5.684 6.119 -9.083 1.00 0.00 C ATOM 382 C ILE A 25 5.052 7.501 -8.933 1.00 0.00 C ATOM 383 O ILE A 25 5.735 8.520 -8.979 1.00 0.00 O ATOM 384 CB ILE A 25 5.914 5.501 -7.701 1.00 0.00 C ATOM 385 CG1 ILE A 25 6.707 4.192 -7.855 1.00 0.00 C ATOM 386 CG2 ILE A 25 4.567 5.207 -7.042 1.00 0.00 C ATOM 387 CD1 ILE A 25 6.994 3.583 -6.478 1.00 0.00 C ATOM 0 H ILE A 25 7.728 6.581 -9.272 1.00 0.00 H new ATOM 0 HA ILE A 25 5.006 5.479 -9.648 1.00 0.00 H new ATOM 0 HB ILE A 25 6.476 6.198 -7.079 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.142 3.485 -8.463 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.644 4.385 -8.378 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.731 4.767 -6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.004 6.134 -6.935 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.003 4.510 -7.662 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.556 2.657 -6.600 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.578 4.286 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.053 3.372 -5.970 1.00 0.00 H new ATOM 399 N LEU A 26 3.733 7.524 -8.776 1.00 0.00 N ATOM 400 CA LEU A 26 3.013 8.793 -8.648 1.00 0.00 C ATOM 401 C LEU A 26 2.223 8.876 -7.347 1.00 0.00 C ATOM 402 O LEU A 26 2.183 9.918 -6.697 1.00 0.00 O ATOM 403 CB LEU A 26 2.043 8.965 -9.812 1.00 0.00 C ATOM 404 CG LEU A 26 2.692 9.340 -11.143 1.00 0.00 C ATOM 405 CD1 LEU A 26 1.608 9.514 -12.207 1.00 0.00 C ATOM 406 CD2 LEU A 26 3.465 10.651 -10.981 1.00 0.00 C ATOM 0 H LEU A 26 3.144 6.692 -8.734 1.00 0.00 H new ATOM 0 HA LEU A 26 3.763 9.584 -8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.489 8.036 -9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.317 9.734 -9.550 1.00 0.00 H new ATOM 0 HG LEU A 26 3.377 8.550 -11.450 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.070 9.782 -13.157 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.057 8.580 -12.322 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.922 10.304 -11.902 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.929 10.920 -11.930 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.780 11.442 -10.675 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.238 10.526 -10.222 1.00 0.00 H new ATOM 418 N CYS A 27 1.569 7.779 -6.991 1.00 0.00 N ATOM 419 CA CYS A 27 0.753 7.751 -5.776 1.00 0.00 C ATOM 420 C CYS A 27 0.637 6.311 -5.262 1.00 0.00 C ATOM 421 O CYS A 27 0.810 5.356 -6.018 1.00 0.00 O ATOM 422 CB CYS A 27 -0.645 8.334 -6.104 1.00 0.00 C ATOM 423 SG CYS A 27 -1.841 8.045 -4.776 1.00 0.00 S ATOM 0 H CYS A 27 1.584 6.905 -7.516 1.00 0.00 H new ATOM 0 HA CYS A 27 1.218 8.352 -4.995 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.556 9.406 -6.283 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.015 7.887 -7.027 1.00 0.00 H new ATOM 428 N TYR A 28 0.329 6.163 -3.968 1.00 0.00 N ATOM 429 CA TYR A 28 0.182 4.831 -3.389 1.00 0.00 C ATOM 430 C TYR A 28 -1.176 4.672 -2.696 1.00 0.00 C ATOM 431 O TYR A 28 -1.815 5.651 -2.311 1.00 0.00 O ATOM 432 CB TYR A 28 1.361 4.514 -2.436 1.00 0.00 C ATOM 433 CG TYR A 28 1.038 4.774 -0.973 1.00 0.00 C ATOM 434 CD1 TYR A 28 0.473 5.992 -0.583 1.00 0.00 C ATOM 435 CD2 TYR A 28 1.309 3.788 -0.018 1.00 0.00 C ATOM 436 CE1 TYR A 28 0.178 6.225 0.768 1.00 0.00 C ATOM 437 CE2 TYR A 28 1.016 4.018 1.331 1.00 0.00 C ATOM 438 CZ TYR A 28 0.450 5.237 1.724 1.00 0.00 C ATOM 439 OH TYR A 28 0.158 5.467 3.054 1.00 0.00 O ATOM 0 H TYR A 28 0.180 6.934 -3.317 1.00 0.00 H new ATOM 0 HA TYR A 28 0.211 4.102 -4.199 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.647 3.469 -2.558 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.223 5.116 -2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.264 6.752 -1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.745 2.848 -0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.258 7.165 1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.226 3.257 2.068 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.811 5.413 3.190 1.00 0.00 H new ATOM 449 N ARG A 29 -1.593 3.419 -2.544 1.00 0.00 N ATOM 450 CA ARG A 29 -2.870 3.119 -1.896 1.00 0.00 C ATOM 451 C ARG A 29 -2.899 1.668 -1.421 1.00 0.00 C ATOM 452 O ARG A 29 -2.549 0.750 -2.162 1.00 0.00 O ATOM 453 CB ARG A 29 -4.041 3.358 -2.859 1.00 0.00 C ATOM 454 CG ARG A 29 -3.746 2.715 -4.225 1.00 0.00 C ATOM 455 CD ARG A 29 -4.818 1.672 -4.555 1.00 0.00 C ATOM 456 NE ARG A 29 -4.605 1.120 -5.896 1.00 0.00 N ATOM 457 CZ ARG A 29 -5.568 0.465 -6.559 1.00 0.00 C ATOM 458 NH1 ARG A 29 -6.756 0.287 -6.033 1.00 0.00 N ATOM 459 NH2 ARG A 29 -5.319 -0.003 -7.751 1.00 0.00 N ATOM 0 H ARG A 29 -1.072 2.600 -2.857 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.973 3.784 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.956 2.938 -2.441 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.208 4.428 -2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.722 3.482 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.762 2.246 -4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.792 0.870 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.807 2.127 -4.496 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.694 1.238 -6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.961 0.650 -5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.475 -0.214 -6.555 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.399 0.131 -8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.045 -0.503 -8.264 1.00 0.00 H new ATOM 473 N ASN A 30 -3.322 1.474 -0.173 1.00 0.00 N ATOM 474 CA ASN A 30 -3.396 0.131 0.398 1.00 0.00 C ATOM 475 C ASN A 30 -4.593 -0.624 -0.169 1.00 0.00 C ATOM 476 O ASN A 30 -5.670 -0.058 -0.356 1.00 0.00 O ATOM 477 CB ASN A 30 -3.528 0.202 1.921 1.00 0.00 C ATOM 478 CG ASN A 30 -4.699 1.103 2.293 1.00 0.00 C ATOM 479 OD1 ASN A 30 -5.851 0.796 1.982 1.00 0.00 O ATOM 480 ND2 ASN A 30 -4.473 2.209 2.946 1.00 0.00 N ATOM 0 H ASN A 30 -3.616 2.221 0.456 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.478 -0.395 0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.681 -0.797 2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.607 0.587 2.358 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.250 2.820 3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.519 2.463 3.204 1.00 0.00 H new ATOM 487 N THR A 31 -4.393 -1.911 -0.442 1.00 0.00 N ATOM 488 CA THR A 31 -5.465 -2.736 -0.989 1.00 0.00 C ATOM 489 C THR A 31 -6.104 -3.585 0.112 1.00 0.00 C ATOM 490 O THR A 31 -6.126 -4.816 0.043 1.00 0.00 O ATOM 491 CB THR A 31 -4.923 -3.651 -2.095 1.00 0.00 C ATOM 492 OG1 THR A 31 -5.968 -4.491 -2.564 1.00 0.00 O ATOM 493 CG2 THR A 31 -3.783 -4.511 -1.546 1.00 0.00 C ATOM 0 H THR A 31 -3.510 -2.400 -0.295 1.00 0.00 H new ATOM 0 HA THR A 31 -6.222 -2.075 -1.411 1.00 0.00 H new ATOM 0 HB THR A 31 -4.546 -3.041 -2.916 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.196 -5.147 -1.872 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.403 -5.158 -2.336 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.981 -3.866 -1.188 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.152 -5.122 -0.723 1.00 0.00 H new ATOM 501 N SER A 32 -6.633 -2.904 1.131 1.00 0.00 N ATOM 502 CA SER A 32 -7.286 -3.584 2.254 1.00 0.00 C ATOM 503 C SER A 32 -6.378 -4.653 2.862 1.00 0.00 C ATOM 504 O SER A 32 -5.273 -4.901 2.378 1.00 0.00 O ATOM 505 CB SER A 32 -8.584 -4.246 1.793 1.00 0.00 C ATOM 506 OG SER A 32 -9.642 -3.298 1.852 1.00 0.00 O ATOM 0 H SER A 32 -6.623 -1.887 1.203 1.00 0.00 H new ATOM 0 HA SER A 32 -7.501 -2.829 3.010 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.473 -4.621 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.813 -5.103 2.426 1.00 0.00 H new ATOM 0 HG SER A 32 -10.476 -3.719 1.555 1.00 0.00 H new ATOM 512 N SER A 33 -6.864 -5.288 3.927 1.00 0.00 N ATOM 513 CA SER A 33 -6.097 -6.338 4.593 1.00 0.00 C ATOM 514 C SER A 33 -6.572 -7.719 4.140 1.00 0.00 C ATOM 515 O SER A 33 -6.446 -8.704 4.869 1.00 0.00 O ATOM 516 CB SER A 33 -6.250 -6.232 6.111 1.00 0.00 C ATOM 517 OG SER A 33 -5.424 -5.181 6.595 1.00 0.00 O ATOM 0 H SER A 33 -7.775 -5.097 4.343 1.00 0.00 H new ATOM 0 HA SER A 33 -5.049 -6.209 4.324 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.291 -6.040 6.370 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.972 -7.175 6.583 1.00 0.00 H new ATOM 0 HG SER A 33 -5.521 -5.110 7.568 1.00 0.00 H new ATOM 523 N ILE A 34 -7.121 -7.778 2.928 1.00 0.00 N ATOM 524 CA ILE A 34 -7.615 -9.038 2.378 1.00 0.00 C ATOM 525 C ILE A 34 -6.452 -9.994 2.116 1.00 0.00 C ATOM 526 O ILE A 34 -6.531 -11.190 2.396 1.00 0.00 O ATOM 527 CB ILE A 34 -8.381 -8.777 1.067 1.00 0.00 C ATOM 528 CG1 ILE A 34 -8.921 -10.093 0.494 1.00 0.00 C ATOM 529 CG2 ILE A 34 -7.454 -8.124 0.032 1.00 0.00 C ATOM 530 CD1 ILE A 34 -10.175 -10.508 1.265 1.00 0.00 C ATOM 0 H ILE A 34 -7.234 -6.973 2.312 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.290 -9.494 3.102 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.213 -8.108 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.155 -9.973 -0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.162 -10.872 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.007 -7.945 -0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.083 -7.177 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.613 -8.787 -0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.559 -11.443 0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.926 -10.645 2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.934 -9.732 1.170 1.00 0.00 H new ATOM 542 N CYS A 35 -5.383 -9.446 1.561 1.00 0.00 N ATOM 543 CA CYS A 35 -4.205 -10.240 1.239 1.00 0.00 C ATOM 544 C CYS A 35 -3.505 -10.716 2.510 1.00 0.00 C ATOM 545 O CYS A 35 -4.011 -10.529 3.615 1.00 0.00 O ATOM 546 CB CYS A 35 -3.244 -9.405 0.396 1.00 0.00 C ATOM 547 SG CYS A 35 -3.805 -9.413 -1.323 1.00 0.00 S ATOM 0 H CYS A 35 -5.305 -8.457 1.324 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.519 -11.118 0.675 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.203 -8.383 0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.235 -9.810 0.464 1.00 0.00 H new ATOM 552 N SER A 36 -2.345 -11.349 2.329 1.00 0.00 N ATOM 553 CA SER A 36 -1.566 -11.874 3.453 1.00 0.00 C ATOM 554 C SER A 36 -1.181 -10.767 4.434 1.00 0.00 C ATOM 555 O SER A 36 -0.065 -10.247 4.400 1.00 0.00 O ATOM 556 CB SER A 36 -0.295 -12.552 2.944 1.00 0.00 C ATOM 557 OG SER A 36 -0.644 -13.723 2.216 1.00 0.00 O ATOM 0 H SER A 36 -1.923 -11.511 1.414 1.00 0.00 H new ATOM 0 HA SER A 36 -2.192 -12.599 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.265 -11.868 2.307 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.353 -12.811 3.781 1.00 0.00 H new ATOM 0 HG SER A 36 0.170 -14.158 1.887 1.00 0.00 H new ATOM 563 N ASN A 37 -2.119 -10.420 5.316 1.00 0.00 N ATOM 564 CA ASN A 37 -1.888 -9.380 6.324 1.00 0.00 C ATOM 565 C ASN A 37 -1.781 -8.001 5.680 1.00 0.00 C ATOM 566 O ASN A 37 -2.633 -7.137 5.892 1.00 0.00 O ATOM 567 CB ASN A 37 -0.608 -9.656 7.123 1.00 0.00 C ATOM 568 CG ASN A 37 -0.626 -11.091 7.640 1.00 0.00 C ATOM 569 OD1 ASN A 37 -1.648 -11.567 8.135 1.00 0.00 O ATOM 570 ND2 ASN A 37 0.456 -11.816 7.555 1.00 0.00 N ATOM 0 H ASN A 37 -3.046 -10.843 5.354 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.744 -9.397 6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.267 -9.497 6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.531 -8.959 7.958 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.455 -12.776 7.899 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.303 -11.422 7.145 1.00 0.00 H new ATOM 577 N GLU A 38 -0.720 -7.794 4.906 1.00 0.00 N ATOM 578 CA GLU A 38 -0.510 -6.503 4.256 1.00 0.00 C ATOM 579 C GLU A 38 -0.761 -6.591 2.753 1.00 0.00 C ATOM 580 O GLU A 38 -0.473 -7.601 2.112 1.00 0.00 O ATOM 581 CB GLU A 38 0.919 -6.014 4.495 1.00 0.00 C ATOM 582 CG GLU A 38 1.120 -5.736 5.987 1.00 0.00 C ATOM 583 CD GLU A 38 0.250 -4.557 6.409 1.00 0.00 C ATOM 584 OE1 GLU A 38 -0.923 -4.774 6.665 1.00 0.00 O ATOM 585 OE2 GLU A 38 0.768 -3.455 6.471 1.00 0.00 O ATOM 0 H GLU A 38 -0.001 -8.492 4.715 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.219 -5.799 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.633 -6.764 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.107 -5.109 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.861 -6.620 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.169 -5.518 6.189 1.00 0.00 H new ATOM 592 N GLY A 39 -1.295 -5.502 2.202 1.00 0.00 N ATOM 593 CA GLY A 39 -1.584 -5.427 0.772 1.00 0.00 C ATOM 594 C GLY A 39 -1.507 -3.977 0.304 1.00 0.00 C ATOM 595 O GLY A 39 -2.321 -3.142 0.697 1.00 0.00 O ATOM 0 H GLY A 39 -1.536 -4.660 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.872 -6.037 0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.576 -5.831 0.571 1.00 0.00 H new ATOM 599 N LEU A 40 -0.503 -3.676 -0.517 1.00 0.00 N ATOM 600 CA LEU A 40 -0.320 -2.307 -1.000 1.00 0.00 C ATOM 601 C LEU A 40 -0.220 -2.248 -2.521 1.00 0.00 C ATOM 602 O LEU A 40 0.134 -3.225 -3.182 1.00 0.00 O ATOM 603 CB LEU A 40 0.947 -1.710 -0.391 1.00 0.00 C ATOM 604 CG LEU A 40 1.284 -0.282 -0.826 1.00 0.00 C ATOM 605 CD1 LEU A 40 0.182 0.667 -0.365 1.00 0.00 C ATOM 606 CD2 LEU A 40 2.606 0.144 -0.187 1.00 0.00 C ATOM 0 H LEU A 40 0.186 -4.347 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.195 -1.732 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.848 -1.726 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.788 -2.355 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 40 1.368 -0.247 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.424 1.683 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.766 0.367 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.100 0.629 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.848 1.161 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.514 0.106 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.399 -0.531 -0.508 1.00 0.00 H new ATOM 618 N ILE A 41 -0.538 -1.072 -3.057 1.00 0.00 N ATOM 619 CA ILE A 41 -0.494 -0.837 -4.495 1.00 0.00 C ATOM 620 C ILE A 41 -0.059 0.610 -4.751 1.00 0.00 C ATOM 621 O ILE A 41 -0.131 1.460 -3.864 1.00 0.00 O ATOM 622 CB ILE A 41 -1.881 -1.103 -5.113 1.00 0.00 C ATOM 623 CG1 ILE A 41 -2.182 -2.605 -5.023 1.00 0.00 C ATOM 624 CG2 ILE A 41 -1.917 -0.664 -6.586 1.00 0.00 C ATOM 625 CD1 ILE A 41 -3.594 -2.886 -5.540 1.00 0.00 C ATOM 0 H ILE A 41 -0.831 -0.262 -2.511 1.00 0.00 H new ATOM 0 HA ILE A 41 0.223 -1.514 -4.959 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.629 -0.530 -4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.453 -3.166 -5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.090 -2.942 -3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.906 -0.862 -7.000 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.702 0.402 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.169 -1.221 -7.150 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.800 -3.954 -5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.318 -2.338 -4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.671 -2.566 -6.579 1.00 0.00 H new ATOM 637 N PHE A 42 0.399 0.877 -5.972 1.00 0.00 N ATOM 638 CA PHE A 42 0.848 2.218 -6.328 1.00 0.00 C ATOM 639 C PHE A 42 0.322 2.628 -7.699 1.00 0.00 C ATOM 640 O PHE A 42 -0.368 1.867 -8.376 1.00 0.00 O ATOM 641 CB PHE A 42 2.374 2.280 -6.378 1.00 0.00 C ATOM 642 CG PHE A 42 2.957 2.284 -4.986 1.00 0.00 C ATOM 643 CD1 PHE A 42 3.030 1.096 -4.254 1.00 0.00 C ATOM 644 CD2 PHE A 42 3.460 3.472 -4.443 1.00 0.00 C ATOM 645 CE1 PHE A 42 3.607 1.098 -2.981 1.00 0.00 C ATOM 646 CE2 PHE A 42 4.032 3.474 -3.171 1.00 0.00 C ATOM 647 CZ PHE A 42 4.108 2.288 -2.440 1.00 0.00 C ATOM 0 H PHE A 42 0.468 0.190 -6.723 1.00 0.00 H new ATOM 0 HA PHE A 42 0.464 2.895 -5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.759 1.426 -6.936 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.689 3.177 -6.911 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.642 0.179 -4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.405 4.389 -5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.666 0.181 -2.414 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.416 4.393 -2.752 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.554 2.288 -1.456 1.00 0.00 H new ATOM 657 N LYS A 43 0.684 3.843 -8.099 1.00 0.00 N ATOM 658 CA LYS A 43 0.280 4.379 -9.396 1.00 0.00 C ATOM 659 C LYS A 43 1.506 4.914 -10.125 1.00 0.00 C ATOM 660 O LYS A 43 2.423 5.441 -9.501 1.00 0.00 O ATOM 661 CB LYS A 43 -0.725 5.519 -9.221 1.00 0.00 C ATOM 662 CG LYS A 43 -1.382 5.830 -10.567 1.00 0.00 C ATOM 663 CD LYS A 43 -2.668 5.014 -10.710 1.00 0.00 C ATOM 664 CE LYS A 43 -3.392 5.426 -11.992 1.00 0.00 C ATOM 665 NZ LYS A 43 -4.849 5.140 -11.855 1.00 0.00 N ATOM 0 H LYS A 43 1.258 4.477 -7.543 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.186 3.579 -9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.484 5.240 -8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.222 6.406 -8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.605 6.895 -10.637 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.697 5.594 -11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.435 3.950 -10.737 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.313 5.177 -9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.236 6.487 -12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.983 4.883 -12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.341 5.420 -12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.989 4.123 -11.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.234 5.677 -11.052 1.00 0.00 H new ATOM 679 N LEU A 44 1.526 4.776 -11.447 1.00 0.00 N ATOM 680 CA LEU A 44 2.666 5.260 -12.225 1.00 0.00 C ATOM 681 C LEU A 44 2.203 6.128 -13.392 1.00 0.00 C ATOM 682 O LEU A 44 1.014 6.192 -13.705 1.00 0.00 O ATOM 683 CB LEU A 44 3.487 4.089 -12.763 1.00 0.00 C ATOM 684 CG LEU A 44 3.806 2.995 -11.741 1.00 0.00 C ATOM 685 CD1 LEU A 44 2.571 2.121 -11.522 1.00 0.00 C ATOM 686 CD2 LEU A 44 4.955 2.129 -12.263 1.00 0.00 C ATOM 0 H LEU A 44 0.783 4.342 -11.995 1.00 0.00 H new ATOM 0 HA LEU A 44 3.286 5.861 -11.560 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.947 3.640 -13.596 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.425 4.476 -13.162 1.00 0.00 H new ATOM 0 HG LEU A 44 4.096 3.456 -10.797 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.800 1.343 -10.794 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.752 2.736 -11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.279 1.660 -12.466 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.183 1.350 -11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.664 1.670 -13.208 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.837 2.750 -12.418 1.00 0.00 H new ATOM 698 N LYS A 45 3.162 6.799 -14.026 1.00 0.00 N ATOM 699 CA LYS A 45 2.854 7.673 -15.157 1.00 0.00 C ATOM 700 C LYS A 45 2.659 6.880 -16.454 1.00 0.00 C ATOM 701 O LYS A 45 2.332 7.454 -17.493 1.00 0.00 O ATOM 702 CB LYS A 45 3.984 8.684 -15.369 1.00 0.00 C ATOM 703 CG LYS A 45 3.733 9.927 -14.514 1.00 0.00 C ATOM 704 CD LYS A 45 4.749 11.011 -14.877 1.00 0.00 C ATOM 705 CE LYS A 45 5.111 11.816 -13.628 1.00 0.00 C ATOM 706 NZ LYS A 45 6.406 12.519 -13.845 1.00 0.00 N ATOM 0 H LYS A 45 4.151 6.756 -13.779 1.00 0.00 H new ATOM 0 HA LYS A 45 1.924 8.188 -14.918 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.941 8.235 -15.103 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.044 8.961 -16.421 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.720 10.294 -14.677 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.815 9.676 -13.456 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.644 10.557 -15.301 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.335 11.671 -15.639 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.325 12.539 -13.409 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.185 11.154 -12.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.651 13.066 -12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.153 11.820 -14.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.320 13.162 -14.658 1.00 0.00 H new ATOM 720 N ARG A 46 2.860 5.560 -16.399 1.00 0.00 N ATOM 721 CA ARG A 46 2.696 4.730 -17.590 1.00 0.00 C ATOM 722 C ARG A 46 1.267 4.191 -17.705 1.00 0.00 C ATOM 723 O ARG A 46 1.034 3.167 -18.347 1.00 0.00 O ATOM 724 CB ARG A 46 3.667 3.548 -17.551 1.00 0.00 C ATOM 725 CG ARG A 46 3.859 2.997 -18.965 1.00 0.00 C ATOM 726 CD ARG A 46 4.991 3.757 -19.661 1.00 0.00 C ATOM 727 NE ARG A 46 6.290 3.379 -19.097 1.00 0.00 N ATOM 728 CZ ARG A 46 7.446 3.715 -19.687 1.00 0.00 C ATOM 729 NH1 ARG A 46 7.466 4.404 -20.804 1.00 0.00 N ATOM 730 NH2 ARG A 46 8.573 3.350 -19.140 1.00 0.00 N ATOM 0 H ARG A 46 3.132 5.053 -15.557 1.00 0.00 H new ATOM 0 HA ARG A 46 2.906 5.359 -18.455 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.625 3.865 -17.140 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.281 2.768 -16.895 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.093 1.933 -18.923 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.935 3.098 -19.535 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.976 3.543 -20.730 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.838 4.830 -19.549 1.00 0.00 H new ATOM 0 HE ARG A 46 6.315 2.844 -18.229 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.591 4.694 -21.240 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.357 4.649 -21.236 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.569 2.814 -18.272 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.458 3.600 -19.580 1.00 0.00 H new ATOM 744 N GLY A 47 0.311 4.880 -17.080 1.00 0.00 N ATOM 745 CA GLY A 47 -1.082 4.444 -17.131 1.00 0.00 C ATOM 746 C GLY A 47 -1.231 3.059 -16.514 1.00 0.00 C ATOM 747 O GLY A 47 -2.008 2.231 -16.988 1.00 0.00 O ATOM 0 H GLY A 47 0.473 5.730 -16.540 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.712 5.156 -16.597 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.426 4.427 -18.165 1.00 0.00 H new ATOM 751 N LYS A 48 -0.472 2.818 -15.449 1.00 0.00 N ATOM 752 CA LYS A 48 -0.520 1.526 -14.771 1.00 0.00 C ATOM 753 C LYS A 48 -0.330 1.702 -13.268 1.00 0.00 C ATOM 754 O LYS A 48 -0.231 2.820 -12.765 1.00 0.00 O ATOM 755 CB LYS A 48 0.573 0.599 -15.310 1.00 0.00 C ATOM 756 CG LYS A 48 0.012 -0.242 -16.458 1.00 0.00 C ATOM 757 CD LYS A 48 1.151 -0.659 -17.391 1.00 0.00 C ATOM 758 CE LYS A 48 1.986 -1.751 -16.721 1.00 0.00 C ATOM 759 NZ LYS A 48 3.317 -1.837 -17.385 1.00 0.00 N ATOM 0 H LYS A 48 0.176 3.491 -15.040 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.498 1.083 -14.961 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.423 1.186 -15.657 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.938 -0.051 -14.514 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.491 -1.125 -16.064 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.734 0.329 -17.010 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.747 -1.024 -18.335 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.778 0.202 -17.624 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.110 -1.530 -15.661 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.472 -2.710 -16.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.885 -2.580 -16.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.189 -2.067 -18.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.808 -0.924 -17.299 1.00 0.00 H new ATOM 773 N GLU A 49 -0.282 0.578 -12.558 1.00 0.00 N ATOM 774 CA GLU A 49 -0.104 0.608 -11.109 1.00 0.00 C ATOM 775 C GLU A 49 0.955 -0.399 -10.681 1.00 0.00 C ATOM 776 O GLU A 49 1.304 -1.314 -11.427 1.00 0.00 O ATOM 777 CB GLU A 49 -1.421 0.278 -10.403 1.00 0.00 C ATOM 778 CG GLU A 49 -2.366 1.477 -10.495 1.00 0.00 C ATOM 779 CD GLU A 49 -3.811 0.993 -10.429 1.00 0.00 C ATOM 780 OE1 GLU A 49 -4.099 -0.030 -11.029 1.00 0.00 O ATOM 781 OE2 GLU A 49 -4.607 1.651 -9.782 1.00 0.00 O ATOM 0 H GLU A 49 -0.363 -0.357 -12.958 1.00 0.00 H new ATOM 0 HA GLU A 49 0.217 1.611 -10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.882 -0.597 -10.861 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.233 0.029 -9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.167 2.173 -9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.195 2.018 -11.426 1.00 0.00 H new ATOM 788 N ALA A 50 1.462 -0.216 -9.468 1.00 0.00 N ATOM 789 CA ALA A 50 2.486 -1.108 -8.934 1.00 0.00 C ATOM 790 C ALA A 50 1.945 -1.861 -7.721 1.00 0.00 C ATOM 791 O ALA A 50 1.095 -1.359 -6.994 1.00 0.00 O ATOM 792 CB ALA A 50 3.722 -0.301 -8.530 1.00 0.00 C ATOM 0 H ALA A 50 1.184 0.537 -8.838 1.00 0.00 H new ATOM 0 HA ALA A 50 2.763 -1.827 -9.705 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.482 -0.974 -8.132 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.118 0.219 -9.402 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.447 0.428 -7.767 1.00 0.00 H new ATOM 798 N CYS A 51 2.431 -3.079 -7.519 1.00 0.00 N ATOM 799 CA CYS A 51 1.969 -3.894 -6.397 1.00 0.00 C ATOM 800 C CYS A 51 3.039 -3.915 -5.308 1.00 0.00 C ATOM 801 O CYS A 51 4.230 -3.945 -5.600 1.00 0.00 O ATOM 802 CB CYS A 51 1.654 -5.324 -6.881 1.00 0.00 C ATOM 803 SG CYS A 51 0.664 -5.228 -8.411 1.00 0.00 S ATOM 0 H CYS A 51 3.136 -3.522 -8.108 1.00 0.00 H new ATOM 0 HA CYS A 51 1.057 -3.464 -5.984 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.578 -5.872 -7.064 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.107 -5.870 -6.112 1.00 0.00 H new ATOM 808 N ALA A 52 2.609 -3.867 -4.049 1.00 0.00 N ATOM 809 CA ALA A 52 3.564 -3.858 -2.938 1.00 0.00 C ATOM 810 C ALA A 52 2.919 -4.385 -1.658 1.00 0.00 C ATOM 811 O ALA A 52 1.748 -4.764 -1.645 1.00 0.00 O ATOM 812 CB ALA A 52 4.075 -2.438 -2.687 1.00 0.00 C ATOM 0 H ALA A 52 1.627 -3.834 -3.774 1.00 0.00 H new ATOM 0 HA ALA A 52 4.396 -4.507 -3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.784 -2.447 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.570 -2.066 -3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.236 -1.788 -2.439 1.00 0.00 H new ATOM 818 N LEU A 53 3.704 -4.408 -0.580 1.00 0.00 N ATOM 819 CA LEU A 53 3.205 -4.898 0.703 1.00 0.00 C ATOM 820 C LEU A 53 2.401 -3.814 1.423 1.00 0.00 C ATOM 821 O LEU A 53 1.178 -3.809 1.362 1.00 0.00 O ATOM 822 CB LEU A 53 4.370 -5.363 1.596 1.00 0.00 C ATOM 823 CG LEU A 53 4.661 -6.872 1.582 1.00 0.00 C ATOM 824 CD1 LEU A 53 3.369 -7.655 1.834 1.00 0.00 C ATOM 825 CD2 LEU A 53 5.250 -7.271 0.224 1.00 0.00 C ATOM 0 H LEU A 53 4.675 -4.097 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 53 2.550 -5.747 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.272 -4.835 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.159 -5.062 2.622 1.00 0.00 H new ATOM 0 HG LEU A 53 5.378 -7.105 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.583 -8.724 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.959 -7.377 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.644 -7.422 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.455 -8.341 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.537 -7.033 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.177 -6.723 0.054 1.00 0.00 H new ATOM 837 N ASP A 54 3.099 -2.900 2.103 1.00 0.00 N ATOM 838 CA ASP A 54 2.434 -1.810 2.832 1.00 0.00 C ATOM 839 C ASP A 54 3.440 -0.994 3.640 1.00 0.00 C ATOM 840 O ASP A 54 3.394 0.236 3.638 1.00 0.00 O ATOM 841 CB ASP A 54 1.356 -2.346 3.792 1.00 0.00 C ATOM 842 CG ASP A 54 0.616 -1.183 4.453 1.00 0.00 C ATOM 843 OD1 ASP A 54 1.151 -0.626 5.397 1.00 0.00 O ATOM 844 OD2 ASP A 54 -0.475 -0.869 4.004 1.00 0.00 O ATOM 0 H ASP A 54 4.117 -2.890 2.166 1.00 0.00 H new ATOM 0 HA ASP A 54 1.964 -1.175 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.651 -2.973 3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.817 -2.974 4.554 1.00 0.00 H new ATOM 849 N THR A 55 4.327 -1.678 4.359 1.00 0.00 N ATOM 850 CA THR A 55 5.298 -0.972 5.190 1.00 0.00 C ATOM 851 C THR A 55 6.742 -1.390 4.892 1.00 0.00 C ATOM 852 O THR A 55 7.544 -1.578 5.810 1.00 0.00 O ATOM 853 CB THR A 55 4.998 -1.225 6.671 1.00 0.00 C ATOM 854 OG1 THR A 55 5.979 -0.580 7.470 1.00 0.00 O ATOM 855 CG2 THR A 55 5.020 -2.730 6.949 1.00 0.00 C ATOM 0 H THR A 55 4.394 -2.695 4.384 1.00 0.00 H new ATOM 0 HA THR A 55 5.204 0.089 4.956 1.00 0.00 H new ATOM 0 HB THR A 55 4.013 -0.827 6.914 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.841 -1.034 7.360 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.806 -2.908 8.003 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.265 -3.224 6.337 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.004 -3.131 6.705 1.00 0.00 H new ATOM 863 N VAL A 56 7.087 -1.504 3.609 1.00 0.00 N ATOM 864 CA VAL A 56 8.463 -1.862 3.257 1.00 0.00 C ATOM 865 C VAL A 56 9.379 -0.677 3.626 1.00 0.00 C ATOM 866 O VAL A 56 9.069 0.077 4.549 1.00 0.00 O ATOM 867 CB VAL A 56 8.589 -2.226 1.757 1.00 0.00 C ATOM 868 CG1 VAL A 56 7.518 -3.244 1.367 1.00 0.00 C ATOM 869 CG2 VAL A 56 8.426 -0.978 0.887 1.00 0.00 C ATOM 0 H VAL A 56 6.458 -1.360 2.819 1.00 0.00 H new ATOM 0 HA VAL A 56 8.764 -2.749 3.815 1.00 0.00 H new ATOM 0 HB VAL A 56 9.578 -2.654 1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.618 -3.491 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.641 -4.148 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.530 -2.820 1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.517 -1.253 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.445 -0.538 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.200 -0.254 1.141 1.00 0.00 H new ATOM 879 N GLY A 57 10.492 -0.503 2.910 1.00 0.00 N ATOM 880 CA GLY A 57 11.395 0.609 3.204 1.00 0.00 C ATOM 881 C GLY A 57 11.209 1.742 2.197 1.00 0.00 C ATOM 882 O GLY A 57 11.226 2.920 2.552 1.00 0.00 O ATOM 0 H GLY A 57 10.785 -1.104 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.207 0.978 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.428 0.261 3.179 1.00 0.00 H new ATOM 886 N TRP A 58 11.047 1.366 0.932 1.00 0.00 N ATOM 887 CA TRP A 58 10.874 2.345 -0.140 1.00 0.00 C ATOM 888 C TRP A 58 9.435 2.883 -0.218 1.00 0.00 C ATOM 889 O TRP A 58 9.171 3.857 -0.921 1.00 0.00 O ATOM 890 CB TRP A 58 11.267 1.710 -1.481 1.00 0.00 C ATOM 891 CG TRP A 58 10.322 0.598 -1.821 1.00 0.00 C ATOM 892 CD1 TRP A 58 10.527 -0.718 -1.577 1.00 0.00 C ATOM 893 CD2 TRP A 58 9.027 0.697 -2.465 1.00 0.00 C ATOM 894 NE1 TRP A 58 9.429 -1.430 -2.033 1.00 0.00 N ATOM 895 CE2 TRP A 58 8.480 -0.598 -2.595 1.00 0.00 C ATOM 896 CE3 TRP A 58 8.285 1.784 -2.946 1.00 0.00 C ATOM 897 CZ2 TRP A 58 7.234 -0.806 -3.186 1.00 0.00 C ATOM 898 CZ3 TRP A 58 7.032 1.581 -3.543 1.00 0.00 C ATOM 899 CH2 TRP A 58 6.509 0.288 -3.665 1.00 0.00 C ATOM 0 H TRP A 58 11.032 0.394 0.623 1.00 0.00 H new ATOM 0 HA TRP A 58 11.522 3.193 0.081 1.00 0.00 H new ATOM 0 HB2 TRP A 58 11.251 2.464 -2.268 1.00 0.00 H new ATOM 0 HB3 TRP A 58 12.286 1.328 -1.426 1.00 0.00 H new ATOM 0 HD1 TRP A 58 11.401 -1.142 -1.105 1.00 0.00 H new ATOM 0 HE1 TRP A 58 9.333 -2.443 -1.962 1.00 0.00 H new ATOM 0 HE3 TRP A 58 8.681 2.785 -2.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 6.833 -1.805 -3.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 6.468 2.426 -3.910 1.00 0.00 H new ATOM 0 HH2 TRP A 58 5.546 0.136 -4.129 1.00 0.00 H new ATOM 910 N VAL A 59 8.512 2.255 0.508 1.00 0.00 N ATOM 911 CA VAL A 59 7.123 2.715 0.498 1.00 0.00 C ATOM 912 C VAL A 59 6.995 3.934 1.405 1.00 0.00 C ATOM 913 O VAL A 59 6.267 4.871 1.101 1.00 0.00 O ATOM 914 CB VAL A 59 6.171 1.595 0.983 1.00 0.00 C ATOM 915 CG1 VAL A 59 4.763 2.146 1.270 1.00 0.00 C ATOM 916 CG2 VAL A 59 6.066 0.514 -0.097 1.00 0.00 C ATOM 0 H VAL A 59 8.693 1.444 1.099 1.00 0.00 H new ATOM 0 HA VAL A 59 6.844 2.981 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 59 6.579 1.179 1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.117 1.336 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.822 2.911 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.351 2.582 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.396 -0.276 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.674 0.953 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.053 0.094 -0.289 1.00 0.00 H new ATOM 926 N GLN A 60 7.705 3.894 2.524 1.00 0.00 N ATOM 927 CA GLN A 60 7.659 4.987 3.493 1.00 0.00 C ATOM 928 C GLN A 60 8.058 6.310 2.848 1.00 0.00 C ATOM 929 O GLN A 60 7.374 7.319 3.014 1.00 0.00 O ATOM 930 CB GLN A 60 8.584 4.680 4.685 1.00 0.00 C ATOM 931 CG GLN A 60 7.753 4.312 5.931 1.00 0.00 C ATOM 932 CD GLN A 60 6.729 3.225 5.588 1.00 0.00 C ATOM 933 OE1 GLN A 60 7.071 2.256 4.784 1.00 0.00 O flip ATOM 934 NE2 GLN A 60 5.593 3.260 6.063 1.00 0.00 N flip ATOM 0 H GLN A 60 8.318 3.122 2.785 1.00 0.00 H new ATOM 0 HA GLN A 60 6.633 5.078 3.851 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.254 3.858 4.431 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.210 5.546 4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.412 3.962 6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.241 5.197 6.309 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.326 4.018 6.692 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.919 2.531 5.828 1.00 0.00 H new ATOM 943 N ARG A 61 9.159 6.301 2.101 1.00 0.00 N ATOM 944 CA ARG A 61 9.601 7.525 1.443 1.00 0.00 C ATOM 945 C ARG A 61 8.608 7.930 0.349 1.00 0.00 C ATOM 946 O ARG A 61 8.500 9.105 0.000 1.00 0.00 O ATOM 947 CB ARG A 61 11.012 7.365 0.856 1.00 0.00 C ATOM 948 CG ARG A 61 11.021 6.276 -0.214 1.00 0.00 C ATOM 949 CD ARG A 61 12.405 5.627 -0.269 1.00 0.00 C ATOM 950 NE ARG A 61 12.501 4.716 -1.413 1.00 0.00 N ATOM 951 CZ ARG A 61 13.681 4.316 -1.910 1.00 0.00 C ATOM 952 NH1 ARG A 61 14.813 4.715 -1.382 1.00 0.00 N ATOM 953 NH2 ARG A 61 13.702 3.508 -2.934 1.00 0.00 N ATOM 0 H ARG A 61 9.747 5.483 1.939 1.00 0.00 H new ATOM 0 HA ARG A 61 9.639 8.315 2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.343 8.310 0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.716 7.111 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.264 5.525 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.769 6.703 -1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.172 6.398 -0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.594 5.081 0.655 1.00 0.00 H new ATOM 0 HE ARG A 61 11.642 4.375 -1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.808 5.342 -0.577 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.699 4.398 -1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.827 3.187 -3.348 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.593 3.197 -3.320 1.00 0.00 H new ATOM 967 N HIS A 62 7.865 6.949 -0.174 1.00 0.00 N ATOM 968 CA HIS A 62 6.869 7.229 -1.207 1.00 0.00 C ATOM 969 C HIS A 62 5.570 7.732 -0.583 1.00 0.00 C ATOM 970 O HIS A 62 4.949 8.668 -1.084 1.00 0.00 O ATOM 971 CB HIS A 62 6.569 5.975 -2.032 1.00 0.00 C ATOM 972 CG HIS A 62 7.616 5.807 -3.097 1.00 0.00 C ATOM 973 ND1 HIS A 62 8.957 5.656 -2.797 1.00 0.00 N ATOM 974 CD2 HIS A 62 7.534 5.788 -4.467 1.00 0.00 C ATOM 975 CE1 HIS A 62 9.626 5.559 -3.962 1.00 0.00 C ATOM 976 NE2 HIS A 62 8.805 5.631 -5.011 1.00 0.00 N ATOM 0 H HIS A 62 7.934 5.968 0.098 1.00 0.00 H new ATOM 0 HA HIS A 62 7.282 7.999 -1.858 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.551 5.098 -1.385 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.582 6.055 -2.488 1.00 0.00 H new ATOM 0 HD1 HIS A 62 9.366 5.624 -1.863 1.00 0.00 H new ATOM 0 HD2 HIS A 62 6.621 5.881 -5.037 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.696 5.438 -4.038 1.00 0.00 H new ATOM 984 N ARG A 63 5.165 7.103 0.517 1.00 0.00 N ATOM 985 CA ARG A 63 3.931 7.507 1.195 1.00 0.00 C ATOM 986 C ARG A 63 4.170 8.747 2.052 1.00 0.00 C ATOM 987 O ARG A 63 3.243 9.509 2.328 1.00 0.00 O ATOM 988 CB ARG A 63 3.345 6.379 2.065 1.00 0.00 C ATOM 989 CG ARG A 63 4.432 5.708 2.916 1.00 0.00 C ATOM 990 CD ARG A 63 4.052 5.749 4.403 1.00 0.00 C ATOM 991 NE ARG A 63 4.938 6.655 5.144 1.00 0.00 N ATOM 992 CZ ARG A 63 4.658 7.955 5.323 1.00 0.00 C ATOM 993 NH1 ARG A 63 3.580 8.502 4.817 1.00 0.00 N ATOM 994 NH2 ARG A 63 5.483 8.695 6.012 1.00 0.00 N ATOM 0 H ARG A 63 5.660 6.326 0.954 1.00 0.00 H new ATOM 0 HA ARG A 63 3.204 7.737 0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.570 6.784 2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.869 5.635 1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.566 4.674 2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.385 6.214 2.764 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.018 6.077 4.510 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.114 4.746 4.826 1.00 0.00 H new ATOM 0 HE ARG A 63 5.801 6.281 5.539 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.929 7.937 4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.392 9.493 4.969 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.329 8.284 6.407 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.282 9.685 6.156 1.00 0.00 H new ATOM 1008 N LYS A 64 5.421 8.968 2.449 1.00 0.00 N ATOM 1009 CA LYS A 64 5.746 10.150 3.240 1.00 0.00 C ATOM 1010 C LYS A 64 5.515 11.405 2.396 1.00 0.00 C ATOM 1011 O LYS A 64 5.187 12.471 2.916 1.00 0.00 O ATOM 1012 CB LYS A 64 7.206 10.112 3.702 1.00 0.00 C ATOM 1013 CG LYS A 64 7.482 11.292 4.636 1.00 0.00 C ATOM 1014 CD LYS A 64 8.715 10.990 5.491 1.00 0.00 C ATOM 1015 CE LYS A 64 8.992 12.170 6.423 1.00 0.00 C ATOM 1016 NZ LYS A 64 9.885 13.146 5.737 1.00 0.00 N ATOM 0 H LYS A 64 6.211 8.358 2.241 1.00 0.00 H new ATOM 0 HA LYS A 64 5.103 10.166 4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.410 9.173 4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.872 10.155 2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.643 12.200 4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.618 11.473 5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.553 10.083 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.578 10.808 4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.056 12.653 6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.458 11.819 7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.074 13.949 6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.782 12.682 5.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.423 13.490 4.871 1.00 0.00 H new ATOM 1030 N MET A 65 5.688 11.259 1.078 1.00 0.00 N ATOM 1031 CA MET A 65 5.496 12.376 0.159 1.00 0.00 C ATOM 1032 C MET A 65 4.126 12.288 -0.511 1.00 0.00 C ATOM 1033 O MET A 65 3.411 13.284 -0.626 1.00 0.00 O ATOM 1034 CB MET A 65 6.579 12.362 -0.920 1.00 0.00 C ATOM 1035 CG MET A 65 7.954 12.513 -0.264 1.00 0.00 C ATOM 1036 SD MET A 65 8.419 14.263 -0.220 1.00 0.00 S ATOM 1037 CE MET A 65 9.186 14.336 -1.856 1.00 0.00 C ATOM 0 H MET A 65 5.959 10.383 0.630 1.00 0.00 H new ATOM 0 HA MET A 65 5.559 13.302 0.731 1.00 0.00 H new ATOM 0 HB2 MET A 65 6.534 11.430 -1.484 1.00 0.00 H new ATOM 0 HB3 MET A 65 6.411 13.173 -1.629 1.00 0.00 H new ATOM 0 HG2 MET A 65 7.932 12.107 0.747 1.00 0.00 H new ATOM 0 HG3 MET A 65 8.698 11.943 -0.820 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.551 15.346 -2.042 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.020 13.635 -1.898 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.450 14.071 -2.615 1.00 0.00 H new ATOM 1047 N LEU A 66 3.769 11.084 -0.954 1.00 0.00 N ATOM 1048 CA LEU A 66 2.483 10.873 -1.614 1.00 0.00 C ATOM 1049 C LEU A 66 1.468 10.304 -0.630 1.00 0.00 C ATOM 1050 O LEU A 66 1.822 9.610 0.318 1.00 0.00 O ATOM 1051 CB LEU A 66 2.631 9.902 -2.785 1.00 0.00 C ATOM 1052 CG LEU A 66 3.260 10.494 -4.046 1.00 0.00 C ATOM 1053 CD1 LEU A 66 2.382 11.631 -4.570 1.00 0.00 C ATOM 1054 CD2 LEU A 66 4.652 11.037 -3.716 1.00 0.00 C ATOM 0 H LEU A 66 4.346 10.247 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 66 2.136 11.838 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.236 9.055 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.646 9.511 -3.039 1.00 0.00 H new ATOM 0 HG LEU A 66 3.343 9.718 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.831 12.053 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.390 11.246 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.298 12.406 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.100 11.459 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.569 11.812 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.279 10.227 -3.343 1.00 0.00 H new ATOM 1066 N ARG A 67 0.200 10.608 -0.872 1.00 0.00 N ATOM 1067 CA ARG A 67 -0.868 10.123 -0.001 1.00 0.00 C ATOM 1068 C ARG A 67 -1.811 9.203 -0.768 1.00 0.00 C ATOM 1069 O ARG A 67 -1.619 8.941 -1.956 1.00 0.00 O ATOM 1070 CB ARG A 67 -1.669 11.293 0.581 1.00 0.00 C ATOM 1071 CG ARG A 67 -2.247 12.147 -0.553 1.00 0.00 C ATOM 1072 CD ARG A 67 -1.237 13.222 -0.963 1.00 0.00 C ATOM 1073 NE ARG A 67 -1.182 13.346 -2.422 1.00 0.00 N ATOM 1074 CZ ARG A 67 -0.615 14.399 -3.028 1.00 0.00 C ATOM 1075 NH1 ARG A 67 -0.082 15.376 -2.335 1.00 0.00 N ATOM 1076 NH2 ARG A 67 -0.595 14.453 -4.332 1.00 0.00 N ATOM 0 H ARG A 67 -0.115 11.182 -1.655 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.404 9.566 0.813 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.475 10.916 1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.027 11.903 1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.487 11.516 -1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.177 12.614 -0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.516 14.179 -0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.250 12.968 -0.576 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.588 12.607 -2.995 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.094 15.344 -1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.345 16.168 -2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.008 13.699 -4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.166 15.250 -4.803 1.00 0.00 H new ATOM 1090 N HIS A 68 -2.833 8.714 -0.070 1.00 0.00 N ATOM 1091 CA HIS A 68 -3.813 7.819 -0.685 1.00 0.00 C ATOM 1092 C HIS A 68 -4.464 8.484 -1.895 1.00 0.00 C ATOM 1093 O HIS A 68 -5.083 9.543 -1.785 1.00 0.00 O ATOM 1094 CB HIS A 68 -4.902 7.445 0.322 1.00 0.00 C ATOM 1095 CG HIS A 68 -4.322 6.547 1.378 1.00 0.00 C ATOM 1096 ND1 HIS A 68 -4.781 6.549 2.686 1.00 0.00 N ATOM 1097 CD2 HIS A 68 -3.319 5.610 1.336 1.00 0.00 C ATOM 1098 CE1 HIS A 68 -4.062 5.642 3.371 1.00 0.00 C ATOM 1099 NE2 HIS A 68 -3.157 5.040 2.595 1.00 0.00 N ATOM 0 H HIS A 68 -3.005 8.920 0.914 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.288 6.919 -1.006 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.313 8.345 0.780 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.725 6.942 -0.186 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.743 5.354 0.459 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.200 5.427 4.420 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.490 4.318 2.867 1.00 0.00 H new ATOM 1107 N CYS A 69 -4.303 7.852 -3.058 1.00 0.00 N ATOM 1108 CA CYS A 69 -4.865 8.385 -4.310 1.00 0.00 C ATOM 1109 C CYS A 69 -6.341 8.782 -4.138 1.00 0.00 C ATOM 1110 O CYS A 69 -7.053 8.192 -3.326 1.00 0.00 O ATOM 1111 CB CYS A 69 -4.768 7.349 -5.439 1.00 0.00 C ATOM 1112 SG CYS A 69 -3.088 6.654 -5.560 1.00 0.00 S ATOM 0 H CYS A 69 -3.792 6.976 -3.164 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.281 9.269 -4.567 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.484 6.546 -5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.040 7.814 -6.386 1.00 0.00 H new ATOM 1117 N PRO A 70 -6.820 9.783 -4.899 1.00 0.00 N ATOM 1118 CA PRO A 70 -8.221 10.233 -4.805 1.00 0.00 C ATOM 1119 C PRO A 70 -9.188 9.391 -5.646 1.00 0.00 C ATOM 1120 O PRO A 70 -10.354 9.754 -5.813 1.00 0.00 O ATOM 1121 CB PRO A 70 -8.140 11.652 -5.352 1.00 0.00 C ATOM 1122 CG PRO A 70 -6.908 11.719 -6.250 1.00 0.00 C ATOM 1123 CD PRO A 70 -6.010 10.531 -5.890 1.00 0.00 C ATOM 0 HA PRO A 70 -8.610 10.152 -3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.040 11.900 -5.915 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.063 12.374 -4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.196 11.677 -7.300 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.377 12.659 -6.103 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.779 9.922 -6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.059 10.858 -5.469 1.00 0.00 H new ATOM 1131 N SER A 71 -8.703 8.269 -6.177 1.00 0.00 N ATOM 1132 CA SER A 71 -9.547 7.401 -6.994 1.00 0.00 C ATOM 1133 C SER A 71 -10.056 6.220 -6.174 1.00 0.00 C ATOM 1134 O SER A 71 -10.263 5.125 -6.698 1.00 0.00 O ATOM 1135 CB SER A 71 -8.765 6.873 -8.196 1.00 0.00 C ATOM 1136 OG SER A 71 -7.527 6.334 -7.751 1.00 0.00 O ATOM 0 H SER A 71 -7.744 7.944 -6.058 1.00 0.00 H new ATOM 0 HA SER A 71 -10.395 7.991 -7.342 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.343 6.107 -8.713 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.589 7.676 -8.911 1.00 0.00 H new ATOM 0 HG SER A 71 -7.024 5.993 -8.520 1.00 0.00 H new ATOM 1142 N LYS A 72 -10.254 6.452 -4.879 1.00 0.00 N ATOM 1143 CA LYS A 72 -10.740 5.399 -3.991 1.00 0.00 C ATOM 1144 C LYS A 72 -10.923 5.942 -2.575 1.00 0.00 C ATOM 1145 O LYS A 72 -10.081 5.740 -1.701 1.00 0.00 O ATOM 1146 CB LYS A 72 -9.756 4.227 -3.956 1.00 0.00 C ATOM 1147 CG LYS A 72 -10.520 2.929 -3.682 1.00 0.00 C ATOM 1148 CD LYS A 72 -9.605 1.943 -2.953 1.00 0.00 C ATOM 1149 CE LYS A 72 -9.685 2.190 -1.445 1.00 0.00 C ATOM 1150 NZ LYS A 72 -9.471 0.907 -0.719 1.00 0.00 N ATOM 0 H LYS A 72 -10.088 7.350 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.699 5.051 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.225 4.156 -4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.006 4.391 -3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.404 3.135 -3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.868 2.494 -4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.902 0.919 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.578 2.061 -3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.933 2.920 -1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.657 2.609 -1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.525 1.075 0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.204 0.224 -0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.534 0.525 -0.958 1.00 0.00 H new ATOM 1164 N ARG A 73 -12.037 6.637 -2.362 1.00 0.00 N ATOM 1165 CA ARG A 73 -12.330 7.209 -1.055 1.00 0.00 C ATOM 1166 C ARG A 73 -12.708 6.112 -0.065 1.00 0.00 C ATOM 1167 O ARG A 73 -12.677 4.925 -0.389 1.00 0.00 O ATOM 1168 CB ARG A 73 -13.484 8.206 -1.163 1.00 0.00 C ATOM 1169 CG ARG A 73 -14.685 7.530 -1.826 1.00 0.00 C ATOM 1170 CD ARG A 73 -15.979 8.127 -1.270 1.00 0.00 C ATOM 1171 NE ARG A 73 -17.075 7.967 -2.228 1.00 0.00 N ATOM 1172 CZ ARG A 73 -17.160 8.704 -3.344 1.00 0.00 C ATOM 1173 NH1 ARG A 73 -16.261 9.617 -3.627 1.00 0.00 N ATOM 1174 NH2 ARG A 73 -18.157 8.513 -4.164 1.00 0.00 N ATOM 0 H ARG A 73 -12.746 6.816 -3.073 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.436 7.722 -0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.759 8.568 -0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.175 9.074 -1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.643 7.669 -2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.659 6.456 -1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.236 7.639 -0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.833 9.185 -1.050 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.797 7.272 -2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.479 9.777 -2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.344 10.167 -4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.863 7.808 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.230 9.069 -5.016 1.00 0.00 H new ATOM 1188 N LYS A 74 -13.065 6.524 1.148 1.00 0.00 N ATOM 1189 CA LYS A 74 -13.449 5.569 2.184 1.00 0.00 C ATOM 1190 C LYS A 74 -14.909 5.769 2.577 1.00 0.00 C ATOM 1191 O LYS A 74 -15.358 5.084 3.482 1.00 0.00 O ATOM 1192 CB LYS A 74 -12.571 5.745 3.425 1.00 0.00 C ATOM 1193 CG LYS A 74 -12.615 7.205 3.881 1.00 0.00 C ATOM 1194 CD LYS A 74 -11.468 7.979 3.230 1.00 0.00 C ATOM 1195 CE LYS A 74 -10.256 7.976 4.164 1.00 0.00 C ATOM 1196 NZ LYS A 74 -9.840 6.570 4.433 1.00 0.00 N ATOM 1197 OXT LYS A 74 -15.557 6.603 1.967 1.00 0.00 O ATOM 0 H LYS A 74 -13.097 7.502 1.436 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.314 4.564 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.920 5.093 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.545 5.454 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.571 7.653 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.535 7.260 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.205 7.525 2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.778 9.003 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.433 8.530 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.503 8.479 5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.915 6.567 4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.545 6.110 5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.769 6.051 3.534 1.00 0.00 H new TER 1211 LYS A 74