USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 703 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 101 ASN : amide:sc= 0 K(o=-0.11,f=-0.68) USER MOD Set 1.2: A 102 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.68) USER MOD Set 2.1: A 32 GLN : amide:sc= 0.0819 K(o=0.16,f=-1.5) USER MOD Set 2.2: A 96 LYS NZ :NH3+ -152:sc= 0.0828 (180deg=0) USER MOD Set 3.1: A 19 SER OG : rot -55:sc= 1.15 USER MOD Set 3.2: A 23 SER OG : rot 100:sc= 1.16 USER MOD Single : A 20 HIS : no HD1:sc= -0.0503 X(o=-0.05,f=-0.35) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -1.02! C(o=-1!,f=-2.6!) USER MOD Single : A 41 ASN : amide:sc= -0.737 K(o=-0.74,f=-1.9) USER MOD Single : A 44 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 45 HIS : no HE2:sc= -0.747 K(o=-0.75,f=-3) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -103:sc= -2.06 (180deg=-6.22!) USER MOD Single : A 57 CYS SG : rot 74:sc= 0.154 USER MOD Single : A 60 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 71 LYS NZ :NH3+ -115:sc= -1.25 (180deg=-3.56!) USER MOD Single : A 72 TYR OH : rot 165:sc= -0.0342 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.462 F(o=-1.6,f=-0.46) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -126:sc= -1.52 (180deg=-3.76!) USER MOD Single : A 88 MET CE :methyl 156:sc= 0 (180deg=-0.681) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 95 GLN : amide:sc= 0.177 X(o=0.18,f=0) USER MOD Single : A 97 SER OG : rot 90:sc= 1.15 USER MOD Single : A 100 ASN :FLIP amide:sc= -0.728 F(o=-1.8,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 25.902 -13.740 -3.932 1.00 0.00 N ATOM 2 CA GLY A 12 25.384 -12.379 -3.616 1.00 0.00 C ATOM 3 C GLY A 12 24.030 -12.186 -4.276 1.00 0.00 C ATOM 4 O GLY A 12 23.796 -11.190 -4.965 1.00 0.00 O ATOM 0 HA2 GLY A 12 25.295 -12.254 -2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 12 26.084 -11.621 -3.969 1.00 0.00 H new ATOM 10 N GLY A 13 23.129 -13.147 -4.066 1.00 0.00 N ATOM 11 CA GLY A 13 21.791 -13.078 -4.651 1.00 0.00 C ATOM 12 C GLY A 13 21.007 -11.912 -4.086 1.00 0.00 C ATOM 13 O GLY A 13 21.227 -10.763 -4.475 1.00 0.00 O ATOM 0 H GLY A 13 23.301 -13.977 -3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 13 21.869 -12.977 -5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 13 21.257 -14.008 -4.455 1.00 0.00 H new ATOM 17 N LEU A 14 20.101 -12.197 -3.159 1.00 0.00 N ATOM 18 CA LEU A 14 19.283 -11.154 -2.535 1.00 0.00 C ATOM 19 C LEU A 14 18.616 -10.293 -3.578 1.00 0.00 C ATOM 20 O LEU A 14 17.505 -10.576 -4.002 1.00 0.00 O ATOM 21 CB LEU A 14 20.171 -10.281 -1.604 1.00 0.00 C ATOM 22 CG LEU A 14 20.439 -11.026 -0.277 1.00 0.00 C ATOM 23 CD1 LEU A 14 19.105 -11.215 0.493 1.00 0.00 C ATOM 24 CD2 LEU A 14 21.072 -12.408 -0.569 1.00 0.00 C ATOM 0 H LEU A 14 19.911 -13.140 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 14 18.501 -11.632 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.115 -10.052 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.677 -9.330 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 14 21.127 -10.439 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.296 -11.741 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.667 -10.240 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.413 -11.797 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.259 -12.928 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.391 -12.998 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 14 22.013 -12.272 -1.102 1.00 0.00 H new ATOM 36 N VAL A 15 19.319 -9.241 -3.992 1.00 0.00 N ATOM 37 CA VAL A 15 18.799 -8.345 -4.994 1.00 0.00 C ATOM 38 C VAL A 15 19.918 -7.445 -5.546 1.00 0.00 C ATOM 39 O VAL A 15 20.463 -6.604 -4.822 1.00 0.00 O ATOM 40 CB VAL A 15 17.671 -7.486 -4.407 1.00 0.00 C ATOM 41 CG1 VAL A 15 18.212 -6.648 -3.231 1.00 0.00 C ATOM 42 CG2 VAL A 15 17.100 -6.550 -5.500 1.00 0.00 C ATOM 0 H VAL A 15 20.246 -8.998 -3.644 1.00 0.00 H new ATOM 0 HA VAL A 15 18.397 -8.941 -5.813 1.00 0.00 H new ATOM 0 HB VAL A 15 16.876 -8.138 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 15 17.408 -6.040 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 15 18.599 -7.312 -2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 15 19.013 -5.999 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.300 -5.943 -5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 15 17.892 -5.899 -5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 15 16.706 -7.148 -6.322 1.00 0.00 H new ATOM 52 N PRO A 16 20.248 -7.580 -6.806 1.00 0.00 N ATOM 53 CA PRO A 16 21.293 -6.746 -7.452 1.00 0.00 C ATOM 54 C PRO A 16 20.790 -5.345 -7.772 1.00 0.00 C ATOM 55 O PRO A 16 21.533 -4.370 -7.659 1.00 0.00 O ATOM 56 CB PRO A 16 21.626 -7.531 -8.726 1.00 0.00 C ATOM 57 CG PRO A 16 20.365 -8.262 -9.081 1.00 0.00 C ATOM 58 CD PRO A 16 19.655 -8.548 -7.753 1.00 0.00 C ATOM 0 HA PRO A 16 22.159 -6.583 -6.810 1.00 0.00 H new ATOM 0 HB2 PRO A 16 21.933 -6.863 -9.531 1.00 0.00 H new ATOM 0 HB3 PRO A 16 22.449 -8.225 -8.556 1.00 0.00 H new ATOM 0 HG2 PRO A 16 19.737 -7.660 -9.738 1.00 0.00 H new ATOM 0 HG3 PRO A 16 20.587 -9.188 -9.612 1.00 0.00 H new ATOM 0 HD2 PRO A 16 18.577 -8.410 -7.840 1.00 0.00 H new ATOM 0 HD3 PRO A 16 19.819 -9.575 -7.427 1.00 0.00 H new ATOM 66 N ARG A 17 19.530 -5.251 -8.190 1.00 0.00 N ATOM 67 CA ARG A 17 18.937 -3.958 -8.530 1.00 0.00 C ATOM 68 C ARG A 17 17.420 -4.080 -8.621 1.00 0.00 C ATOM 69 O ARG A 17 16.893 -5.099 -9.076 1.00 0.00 O ATOM 70 CB ARG A 17 19.504 -3.457 -9.866 1.00 0.00 C ATOM 71 CG ARG A 17 19.329 -4.542 -10.948 1.00 0.00 C ATOM 72 CD ARG A 17 19.875 -4.039 -12.280 1.00 0.00 C ATOM 73 NE ARG A 17 21.307 -3.755 -12.156 1.00 0.00 N ATOM 74 CZ ARG A 17 22.028 -3.373 -13.210 1.00 0.00 C ATOM 75 NH1 ARG A 17 21.457 -3.251 -14.380 1.00 0.00 N ATOM 76 NH2 ARG A 17 23.297 -3.126 -13.075 1.00 0.00 N ATOM 0 H ARG A 17 18.903 -6.048 -8.301 1.00 0.00 H new ATOM 0 HA ARG A 17 19.184 -3.242 -7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 17 18.993 -2.543 -10.169 1.00 0.00 H new ATOM 0 HB3 ARG A 17 20.560 -3.210 -9.754 1.00 0.00 H new ATOM 0 HG2 ARG A 17 19.851 -5.452 -10.651 1.00 0.00 H new ATOM 0 HG3 ARG A 17 18.275 -4.799 -11.051 1.00 0.00 H new ATOM 0 HD2 ARG A 17 19.709 -4.786 -13.056 1.00 0.00 H new ATOM 0 HD3 ARG A 17 19.342 -3.139 -12.585 1.00 0.00 H new ATOM 0 HE ARG A 17 21.760 -3.851 -11.247 1.00 0.00 H new ATOM 0 HH11 ARG A 17 20.462 -3.448 -14.485 1.00 0.00 H new ATOM 0 HH12 ARG A 17 22.007 -2.959 -15.188 1.00 0.00 H new ATOM 0 HH21 ARG A 17 23.741 -3.224 -12.162 1.00 0.00 H new ATOM 0 HH22 ARG A 17 23.848 -2.834 -13.882 1.00 0.00 H new ATOM 90 N GLY A 18 16.723 -3.030 -8.201 1.00 0.00 N ATOM 91 CA GLY A 18 15.268 -3.027 -8.243 1.00 0.00 C ATOM 92 C GLY A 18 14.718 -1.846 -7.466 1.00 0.00 C ATOM 93 O GLY A 18 14.764 -0.706 -7.934 1.00 0.00 O ATOM 0 H GLY A 18 17.140 -2.176 -7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.928 -2.980 -9.278 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.884 -3.957 -7.823 1.00 0.00 H new ATOM 97 N SER A 19 14.182 -2.121 -6.271 1.00 0.00 N ATOM 98 CA SER A 19 13.613 -1.071 -5.425 1.00 0.00 C ATOM 99 C SER A 19 12.620 -0.221 -6.210 1.00 0.00 C ATOM 100 O SER A 19 12.347 0.922 -5.854 1.00 0.00 O ATOM 101 CB SER A 19 14.738 -0.181 -4.886 1.00 0.00 C ATOM 102 OG SER A 19 14.179 0.811 -4.037 1.00 0.00 O ATOM 0 H SER A 19 14.131 -3.058 -5.871 1.00 0.00 H new ATOM 0 HA SER A 19 13.085 -1.542 -4.596 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.462 -0.782 -4.336 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.274 0.288 -5.711 1.00 0.00 H new ATOM 0 HG SER A 19 13.488 1.307 -4.524 1.00 0.00 H new ATOM 108 N HIS A 20 12.097 -0.788 -7.301 1.00 0.00 N ATOM 109 CA HIS A 20 11.155 -0.065 -8.147 1.00 0.00 C ATOM 110 C HIS A 20 9.888 0.263 -7.364 1.00 0.00 C ATOM 111 O HIS A 20 9.503 1.423 -7.251 1.00 0.00 O ATOM 112 CB HIS A 20 10.798 -0.916 -9.377 1.00 0.00 C ATOM 113 CG HIS A 20 9.951 -0.106 -10.328 1.00 0.00 C ATOM 114 ND1 HIS A 20 10.472 0.956 -11.048 1.00 0.00 N ATOM 115 CD2 HIS A 20 8.629 -0.183 -10.666 1.00 0.00 C ATOM 116 CE1 HIS A 20 9.471 1.471 -11.781 1.00 0.00 C ATOM 117 NE2 HIS A 20 8.324 0.814 -11.586 1.00 0.00 N ATOM 0 H HIS A 20 12.310 -1.735 -7.613 1.00 0.00 H new ATOM 0 HA HIS A 20 11.620 0.865 -8.474 1.00 0.00 H new ATOM 0 HB2 HIS A 20 11.707 -1.248 -9.878 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.259 -1.812 -9.068 1.00 0.00 H new ATOM 0 HD2 HIS A 20 7.928 -0.907 -10.278 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.580 2.314 -12.447 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.420 1.003 -12.019 1.00 0.00 H new ATOM 125 N MET A 21 9.244 -0.774 -6.831 1.00 0.00 N ATOM 126 CA MET A 21 8.016 -0.582 -6.065 1.00 0.00 C ATOM 127 C MET A 21 8.293 0.185 -4.785 1.00 0.00 C ATOM 128 O MET A 21 7.578 1.120 -4.447 1.00 0.00 O ATOM 129 CB MET A 21 7.402 -1.948 -5.722 1.00 0.00 C ATOM 130 CG MET A 21 7.023 -2.683 -7.018 1.00 0.00 C ATOM 131 SD MET A 21 6.270 -4.277 -6.602 1.00 0.00 S ATOM 132 CE MET A 21 4.549 -3.711 -6.529 1.00 0.00 C ATOM 0 H MET A 21 9.548 -1.744 -6.914 1.00 0.00 H new ATOM 0 HA MET A 21 7.318 -0.005 -6.672 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.112 -2.544 -5.149 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.520 -1.815 -5.096 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.327 -2.080 -7.602 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.908 -2.836 -7.635 1.00 0.00 H new ATOM 0 HE1 MET A 21 3.900 -4.551 -6.282 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.452 -2.940 -5.765 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.259 -3.301 -7.497 1.00 0.00 H new ATOM 142 N ALA A 22 9.346 -0.215 -4.077 1.00 0.00 N ATOM 143 CA ALA A 22 9.706 0.438 -2.821 1.00 0.00 C ATOM 144 C ALA A 22 9.785 1.950 -2.999 1.00 0.00 C ATOM 145 O ALA A 22 9.210 2.707 -2.217 1.00 0.00 O ATOM 146 CB ALA A 22 11.061 -0.085 -2.331 1.00 0.00 C ATOM 0 H ALA A 22 9.961 -0.982 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 22 8.934 0.210 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.323 0.406 -1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.999 -1.162 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.825 0.128 -3.079 1.00 0.00 H new ATOM 152 N SER A 23 10.494 2.378 -4.043 1.00 0.00 N ATOM 153 CA SER A 23 10.656 3.804 -4.308 1.00 0.00 C ATOM 154 C SER A 23 9.311 4.520 -4.312 1.00 0.00 C ATOM 155 O SER A 23 9.162 5.578 -3.709 1.00 0.00 O ATOM 156 CB SER A 23 11.337 4.007 -5.667 1.00 0.00 C ATOM 157 OG SER A 23 12.626 3.415 -5.640 1.00 0.00 O ATOM 0 H SER A 23 10.960 1.764 -4.711 1.00 0.00 H new ATOM 0 HA SER A 23 11.273 4.225 -3.514 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.736 3.560 -6.458 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.418 5.071 -5.891 1.00 0.00 H new ATOM 0 HG SER A 23 12.592 2.536 -6.073 1.00 0.00 H new ATOM 163 N LYS A 24 8.330 3.920 -4.979 1.00 0.00 N ATOM 164 CA LYS A 24 7.002 4.527 -5.073 1.00 0.00 C ATOM 165 C LYS A 24 6.448 4.839 -3.697 1.00 0.00 C ATOM 166 O LYS A 24 5.849 5.891 -3.486 1.00 0.00 O ATOM 167 CB LYS A 24 6.053 3.582 -5.810 1.00 0.00 C ATOM 168 CG LYS A 24 6.544 3.374 -7.252 1.00 0.00 C ATOM 169 CD LYS A 24 5.582 2.433 -8.001 1.00 0.00 C ATOM 170 CE LYS A 24 6.076 2.225 -9.435 1.00 0.00 C ATOM 171 NZ LYS A 24 5.155 1.299 -10.139 1.00 0.00 N ATOM 0 H LYS A 24 8.425 3.024 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 24 7.091 5.462 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.002 2.625 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.044 3.995 -5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.604 4.333 -7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.549 2.952 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.520 1.475 -7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.577 2.856 -8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.121 3.180 -9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.087 1.817 -9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.486 1.154 -11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.134 0.386 -9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.198 1.707 -10.155 1.00 0.00 H new ATOM 185 N ARG A 25 6.658 3.918 -2.765 1.00 0.00 N ATOM 186 CA ARG A 25 6.192 4.114 -1.406 1.00 0.00 C ATOM 187 C ARG A 25 6.942 5.265 -0.740 1.00 0.00 C ATOM 188 O ARG A 25 6.351 6.073 -0.018 1.00 0.00 O ATOM 189 CB ARG A 25 6.399 2.829 -0.590 1.00 0.00 C ATOM 190 CG ARG A 25 5.589 2.915 0.729 1.00 0.00 C ATOM 191 CD ARG A 25 4.164 2.387 0.491 1.00 0.00 C ATOM 192 NE ARG A 25 3.340 2.648 1.661 1.00 0.00 N ATOM 193 CZ ARG A 25 3.485 1.940 2.782 1.00 0.00 C ATOM 194 NH1 ARG A 25 4.384 0.993 2.845 1.00 0.00 N ATOM 195 NH2 ARG A 25 2.730 2.192 3.808 1.00 0.00 N ATOM 0 H ARG A 25 7.144 3.036 -2.927 1.00 0.00 H new ATOM 0 HA ARG A 25 5.130 4.358 -1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.079 1.963 -1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.458 2.692 -0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.079 2.331 1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.552 3.947 1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.730 2.868 -0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.192 1.317 0.286 1.00 0.00 H new ATOM 0 HE ARG A 25 2.638 3.387 1.623 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.974 0.796 2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.495 0.451 3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.028 2.930 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.839 1.652 4.666 1.00 0.00 H new ATOM 209 N ASP A 26 8.251 5.320 -0.972 1.00 0.00 N ATOM 210 CA ASP A 26 9.082 6.362 -0.377 1.00 0.00 C ATOM 211 C ASP A 26 8.647 7.735 -0.878 1.00 0.00 C ATOM 212 O ASP A 26 8.583 8.695 -0.112 1.00 0.00 O ATOM 213 CB ASP A 26 10.555 6.125 -0.734 1.00 0.00 C ATOM 214 CG ASP A 26 11.446 7.132 -0.004 1.00 0.00 C ATOM 215 OD1 ASP A 26 11.662 6.943 1.182 1.00 0.00 O ATOM 216 OD2 ASP A 26 11.870 8.085 -0.634 1.00 0.00 O ATOM 0 H ASP A 26 8.756 4.660 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 26 8.964 6.326 0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.843 5.110 -0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.695 6.219 -1.811 1.00 0.00 H new ATOM 221 N LYS A 27 8.351 7.819 -2.174 1.00 0.00 N ATOM 222 CA LYS A 27 7.932 9.089 -2.767 1.00 0.00 C ATOM 223 C LYS A 27 6.686 9.615 -2.081 1.00 0.00 C ATOM 224 O LYS A 27 6.685 10.703 -1.536 1.00 0.00 O ATOM 225 CB LYS A 27 7.649 8.890 -4.259 1.00 0.00 C ATOM 226 CG LYS A 27 8.969 8.650 -5.008 1.00 0.00 C ATOM 227 CD LYS A 27 8.685 8.413 -6.503 1.00 0.00 C ATOM 228 CE LYS A 27 10.004 8.170 -7.245 1.00 0.00 C ATOM 229 NZ LYS A 27 9.717 7.928 -8.680 1.00 0.00 N ATOM 0 H LYS A 27 8.392 7.036 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 27 8.735 9.815 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.979 8.042 -4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.144 9.767 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.629 9.509 -4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.486 7.788 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.023 7.556 -6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.171 9.276 -6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.662 9.032 -7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.524 7.314 -6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.609 7.762 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.104 7.094 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.237 8.758 -9.083 1.00 0.00 H new ATOM 243 N ILE A 28 5.623 8.825 -2.104 1.00 0.00 N ATOM 244 CA ILE A 28 4.375 9.236 -1.477 1.00 0.00 C ATOM 245 C ILE A 28 4.582 9.506 0.006 1.00 0.00 C ATOM 246 O ILE A 28 4.181 10.541 0.510 1.00 0.00 O ATOM 247 CB ILE A 28 3.321 8.128 -1.650 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.132 7.825 -3.158 1.00 0.00 C ATOM 249 CG2 ILE A 28 1.970 8.588 -1.045 1.00 0.00 C ATOM 250 CD1 ILE A 28 2.278 6.562 -3.331 1.00 0.00 C ATOM 0 H ILE A 28 5.598 7.905 -2.545 1.00 0.00 H new ATOM 0 HA ILE A 28 4.032 10.153 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 28 3.659 7.229 -1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.652 8.670 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.102 7.687 -3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.228 7.800 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.100 8.799 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.631 9.490 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.148 6.353 -4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.776 5.718 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.303 6.716 -2.870 1.00 0.00 H new ATOM 262 N ALA A 29 5.197 8.554 0.695 1.00 0.00 N ATOM 263 CA ALA A 29 5.438 8.699 2.124 1.00 0.00 C ATOM 264 C ALA A 29 6.180 10.000 2.414 1.00 0.00 C ATOM 265 O ALA A 29 5.939 10.648 3.431 1.00 0.00 O ATOM 266 CB ALA A 29 6.275 7.517 2.633 1.00 0.00 C ATOM 0 H ALA A 29 5.535 7.680 0.292 1.00 0.00 H new ATOM 0 HA ALA A 29 4.475 8.718 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.452 7.631 3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.738 6.586 2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.230 7.494 2.107 1.00 0.00 H new ATOM 272 N ASP A 30 7.087 10.371 1.514 1.00 0.00 N ATOM 273 CA ASP A 30 7.889 11.570 1.704 1.00 0.00 C ATOM 274 C ASP A 30 7.163 12.805 1.200 1.00 0.00 C ATOM 275 O ASP A 30 7.336 13.895 1.742 1.00 0.00 O ATOM 276 CB ASP A 30 9.229 11.419 0.955 1.00 0.00 C ATOM 277 CG ASP A 30 10.136 12.621 1.235 1.00 0.00 C ATOM 278 OD1 ASP A 30 10.799 12.608 2.257 1.00 0.00 O ATOM 279 OD2 ASP A 30 10.122 13.541 0.438 1.00 0.00 O ATOM 0 H ASP A 30 7.282 9.861 0.653 1.00 0.00 H new ATOM 0 HA ASP A 30 8.070 11.692 2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.726 10.500 1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.047 11.335 -0.116 1.00 0.00 H new ATOM 284 N ILE A 31 6.367 12.631 0.151 1.00 0.00 N ATOM 285 CA ILE A 31 5.660 13.751 -0.445 1.00 0.00 C ATOM 286 C ILE A 31 4.389 14.057 0.313 1.00 0.00 C ATOM 287 O ILE A 31 4.010 15.225 0.449 1.00 0.00 O ATOM 288 CB ILE A 31 5.333 13.423 -1.913 1.00 0.00 C ATOM 289 CG1 ILE A 31 6.649 13.321 -2.730 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.446 14.540 -2.518 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.356 12.713 -4.110 1.00 0.00 C ATOM 0 H ILE A 31 6.198 11.731 -0.299 1.00 0.00 H new ATOM 0 HA ILE A 31 6.299 14.633 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 31 4.800 12.473 -1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.095 14.309 -2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.373 12.705 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.219 14.301 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.518 14.615 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.977 15.491 -2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.282 12.643 -4.681 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.930 11.717 -3.986 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.648 13.347 -4.644 1.00 0.00 H new ATOM 303 N GLN A 32 3.710 13.016 0.767 1.00 0.00 N ATOM 304 CA GLN A 32 2.460 13.191 1.481 1.00 0.00 C ATOM 305 C GLN A 32 2.682 14.007 2.753 1.00 0.00 C ATOM 306 O GLN A 32 2.050 15.042 2.954 1.00 0.00 O ATOM 307 CB GLN A 32 1.871 11.817 1.849 1.00 0.00 C ATOM 308 CG GLN A 32 0.450 11.994 2.427 1.00 0.00 C ATOM 309 CD GLN A 32 -0.163 10.637 2.734 1.00 0.00 C ATOM 310 OE1 GLN A 32 0.529 9.741 3.213 1.00 0.00 O ATOM 311 NE2 GLN A 32 -1.422 10.434 2.476 1.00 0.00 N ATOM 0 H GLN A 32 4.003 12.046 0.654 1.00 0.00 H new ATOM 0 HA GLN A 32 1.763 13.725 0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.838 11.178 0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.511 11.321 2.578 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.491 12.597 3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.176 12.532 1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.988 11.183 2.079 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.843 9.525 2.671 1.00 0.00 H new ATOM 320 N GLU A 33 3.584 13.525 3.606 1.00 0.00 N ATOM 321 CA GLU A 33 3.877 14.214 4.857 1.00 0.00 C ATOM 322 C GLU A 33 4.447 15.588 4.587 1.00 0.00 C ATOM 323 O GLU A 33 3.874 16.586 5.002 1.00 0.00 O ATOM 324 CB GLU A 33 4.887 13.400 5.675 1.00 0.00 C ATOM 325 CG GLU A 33 4.280 12.031 6.031 1.00 0.00 C ATOM 326 CD GLU A 33 5.267 11.218 6.865 1.00 0.00 C ATOM 327 OE1 GLU A 33 6.463 11.418 6.702 1.00 0.00 O ATOM 328 OE2 GLU A 33 4.813 10.419 7.662 1.00 0.00 O ATOM 0 H GLU A 33 4.118 12.669 3.455 1.00 0.00 H new ATOM 0 HA GLU A 33 2.948 14.319 5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.806 13.264 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.152 13.939 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.352 12.170 6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.029 11.488 5.120 1.00 0.00 H new ATOM 335 N ALA A 34 5.582 15.639 3.887 1.00 0.00 N ATOM 336 CA ALA A 34 6.248 16.908 3.631 1.00 0.00 C ATOM 337 C ALA A 34 5.235 17.990 3.324 1.00 0.00 C ATOM 338 O ALA A 34 5.211 18.986 4.014 1.00 0.00 O ATOM 339 CB ALA A 34 7.168 16.751 2.405 1.00 0.00 C ATOM 0 H ALA A 34 6.051 14.824 3.493 1.00 0.00 H new ATOM 0 HA ALA A 34 6.818 17.187 4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.672 17.697 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.911 15.979 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.573 16.466 1.537 1.00 0.00 H new ATOM 345 N LEU A 35 4.384 17.765 2.328 1.00 0.00 N ATOM 346 CA LEU A 35 3.384 18.762 1.957 1.00 0.00 C ATOM 347 C LEU A 35 2.327 18.928 3.045 1.00 0.00 C ATOM 348 O LEU A 35 2.165 20.003 3.603 1.00 0.00 O ATOM 349 CB LEU A 35 2.724 18.338 0.648 1.00 0.00 C ATOM 350 CG LEU A 35 1.887 19.517 0.077 1.00 0.00 C ATOM 351 CD1 LEU A 35 2.746 20.336 -0.902 1.00 0.00 C ATOM 352 CD2 LEU A 35 0.646 18.970 -0.638 1.00 0.00 C ATOM 0 H LEU A 35 4.365 16.912 1.769 1.00 0.00 H new ATOM 0 HA LEU A 35 3.881 19.724 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.484 18.037 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.083 17.472 0.816 1.00 0.00 H new ATOM 0 HG LEU A 35 1.568 20.164 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.156 21.162 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.617 20.731 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.074 19.696 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.061 19.799 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.955 18.317 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.039 18.405 0.069 1.00 0.00 H new ATOM 364 N ALA A 36 1.613 17.848 3.333 1.00 0.00 N ATOM 365 CA ALA A 36 0.592 17.873 4.382 1.00 0.00 C ATOM 366 C ALA A 36 1.144 18.595 5.619 1.00 0.00 C ATOM 367 O ALA A 36 0.581 19.567 6.086 1.00 0.00 O ATOM 368 CB ALA A 36 0.214 16.440 4.749 1.00 0.00 C ATOM 0 H ALA A 36 1.717 16.949 2.862 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.291 18.402 4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.546 16.453 5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.178 15.930 3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.097 15.912 5.110 1.00 0.00 H new ATOM 374 N HIS A 37 2.273 18.103 6.115 1.00 0.00 N ATOM 375 CA HIS A 37 2.931 18.694 7.283 1.00 0.00 C ATOM 376 C HIS A 37 3.745 19.903 6.885 1.00 0.00 C ATOM 377 O HIS A 37 4.773 20.201 7.509 1.00 0.00 O ATOM 378 CB HIS A 37 3.816 17.661 7.985 1.00 0.00 C ATOM 379 CG HIS A 37 2.990 16.458 8.358 1.00 0.00 C ATOM 380 ND1 HIS A 37 1.647 16.342 8.016 1.00 0.00 N ATOM 381 CD2 HIS A 37 3.300 15.316 9.041 1.00 0.00 C ATOM 382 CE1 HIS A 37 1.211 15.168 8.488 1.00 0.00 C ATOM 383 NE2 HIS A 37 2.177 14.500 9.123 1.00 0.00 N ATOM 0 H HIS A 37 2.757 17.293 5.727 1.00 0.00 H new ATOM 0 HA HIS A 37 2.158 19.016 7.980 1.00 0.00 H new ATOM 0 HB2 HIS A 37 4.635 17.364 7.330 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.264 18.098 8.877 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.270 15.082 9.454 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.201 14.805 8.370 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.106 13.587 9.572 1.00 0.00 H new ATOM 391 N ALA A 38 3.316 20.588 5.832 1.00 0.00 N ATOM 392 CA ALA A 38 4.036 21.765 5.357 1.00 0.00 C ATOM 393 C ALA A 38 3.175 22.999 5.423 1.00 0.00 C ATOM 394 O ALA A 38 3.572 23.978 6.052 1.00 0.00 O ATOM 395 CB ALA A 38 4.479 21.563 3.898 1.00 0.00 C ATOM 0 H ALA A 38 2.482 20.353 5.295 1.00 0.00 H new ATOM 0 HA ALA A 38 4.903 21.897 6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.015 22.448 3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.134 20.694 3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.602 21.404 3.270 1.00 0.00 H new ATOM 401 N ASP A 39 1.999 22.957 4.770 1.00 0.00 N ATOM 402 CA ASP A 39 1.102 24.123 4.693 1.00 0.00 C ATOM 403 C ASP A 39 1.746 25.350 5.341 1.00 0.00 C ATOM 404 O ASP A 39 1.205 25.942 6.267 1.00 0.00 O ATOM 405 CB ASP A 39 -0.228 23.815 5.374 1.00 0.00 C ATOM 406 CG ASP A 39 -0.864 22.582 4.750 1.00 0.00 C ATOM 407 OD1 ASP A 39 -0.983 22.554 3.536 1.00 0.00 O ATOM 408 OD2 ASP A 39 -1.221 21.685 5.494 1.00 0.00 O ATOM 0 H ASP A 39 1.649 22.129 4.289 1.00 0.00 H new ATOM 0 HA ASP A 39 0.922 24.341 3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.070 23.652 6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.900 24.668 5.278 1.00 0.00 H new ATOM 413 N ALA A 40 2.954 25.693 4.872 1.00 0.00 N ATOM 414 CA ALA A 40 3.698 26.791 5.463 1.00 0.00 C ATOM 415 C ALA A 40 2.898 28.078 5.410 1.00 0.00 C ATOM 416 O ALA A 40 2.704 28.742 6.429 1.00 0.00 O ATOM 417 CB ALA A 40 5.024 26.989 4.707 1.00 0.00 C ATOM 0 H ALA A 40 3.423 25.227 4.095 1.00 0.00 H new ATOM 0 HA ALA A 40 3.897 26.544 6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.578 27.814 5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.618 26.077 4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.816 27.216 3.661 1.00 0.00 H new ATOM 423 N ASN A 41 2.426 28.423 4.217 1.00 0.00 N ATOM 424 CA ASN A 41 1.671 29.661 4.032 1.00 0.00 C ATOM 425 C ASN A 41 0.193 29.438 4.261 1.00 0.00 C ATOM 426 O ASN A 41 -0.630 30.234 3.794 1.00 0.00 O ATOM 427 CB ASN A 41 1.900 30.187 2.601 1.00 0.00 C ATOM 428 CG ASN A 41 1.358 31.611 2.472 1.00 0.00 C ATOM 429 OD1 ASN A 41 0.433 31.856 1.702 1.00 0.00 O ATOM 430 ND2 ASN A 41 1.873 32.559 3.207 1.00 0.00 N ATOM 0 H ASN A 41 2.550 27.870 3.369 1.00 0.00 H new ATOM 0 HA ASN A 41 2.021 30.393 4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.964 30.172 2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.405 29.535 1.882 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.507 33.509 3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.641 32.350 3.845 1.00 0.00 H new ATOM 437 N ALA A 42 -0.147 28.355 4.964 1.00 0.00 N ATOM 438 CA ALA A 42 -1.554 28.011 5.225 1.00 0.00 C ATOM 439 C ALA A 42 -2.443 28.530 4.091 1.00 0.00 C ATOM 440 O ALA A 42 -3.399 29.268 4.328 1.00 0.00 O ATOM 441 CB ALA A 42 -1.997 28.633 6.555 1.00 0.00 C ATOM 0 H ALA A 42 0.527 27.701 5.363 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.650 26.927 5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.039 28.377 6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.374 28.248 7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.893 29.717 6.502 1.00 0.00 H new ATOM 447 N ASP A 43 -2.087 28.169 2.856 1.00 0.00 N ATOM 448 CA ASP A 43 -2.813 28.655 1.685 1.00 0.00 C ATOM 449 C ASP A 43 -3.797 27.614 1.195 1.00 0.00 C ATOM 450 O ASP A 43 -4.781 27.951 0.535 1.00 0.00 O ATOM 451 CB ASP A 43 -1.823 29.008 0.572 1.00 0.00 C ATOM 452 CG ASP A 43 -0.941 27.803 0.249 1.00 0.00 C ATOM 453 OD1 ASP A 43 -0.344 27.268 1.169 1.00 0.00 O ATOM 454 OD2 ASP A 43 -0.891 27.426 -0.909 1.00 0.00 O ATOM 0 H ASP A 43 -1.307 27.547 2.644 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.371 29.548 1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.365 29.321 -0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.203 29.850 0.880 1.00 0.00 H new ATOM 459 N GLN A 44 -3.520 26.350 1.506 1.00 0.00 N ATOM 460 CA GLN A 44 -4.392 25.262 1.091 1.00 0.00 C ATOM 461 C GLN A 44 -4.358 25.076 -0.413 1.00 0.00 C ATOM 462 O GLN A 44 -5.144 24.300 -0.973 1.00 0.00 O ATOM 463 CB GLN A 44 -5.844 25.547 1.544 1.00 0.00 C ATOM 464 CG GLN A 44 -6.596 24.226 1.774 1.00 0.00 C ATOM 465 CD GLN A 44 -6.108 23.569 3.065 1.00 0.00 C ATOM 466 OE1 GLN A 44 -5.408 22.557 3.022 1.00 0.00 O ATOM 467 NE2 GLN A 44 -6.417 24.106 4.210 1.00 0.00 N ATOM 0 H GLN A 44 -2.702 26.058 2.041 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.034 24.346 1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.838 26.135 2.462 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.359 26.140 0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.668 24.413 1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.436 23.554 0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.997 24.944 4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.079 23.688 5.077 1.00 0.00 H new ATOM 476 N HIS A 45 -3.455 25.793 -1.073 1.00 0.00 N ATOM 477 CA HIS A 45 -3.314 25.697 -2.528 1.00 0.00 C ATOM 478 C HIS A 45 -1.941 25.161 -2.875 1.00 0.00 C ATOM 479 O HIS A 45 -1.043 25.131 -2.028 1.00 0.00 O ATOM 480 CB HIS A 45 -3.523 27.068 -3.173 1.00 0.00 C ATOM 481 CG HIS A 45 -4.837 27.642 -2.718 1.00 0.00 C ATOM 482 ND1 HIS A 45 -5.889 26.842 -2.292 1.00 0.00 N ATOM 483 CD2 HIS A 45 -5.283 28.932 -2.613 1.00 0.00 C ATOM 484 CE1 HIS A 45 -6.904 27.653 -1.956 1.00 0.00 C ATOM 485 NE2 HIS A 45 -6.588 28.938 -2.132 1.00 0.00 N ATOM 0 H HIS A 45 -2.810 26.446 -0.629 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.071 25.014 -2.913 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.708 27.738 -2.900 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.511 26.976 -4.259 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -5.890 25.823 -2.243 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.709 29.811 -2.865 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.859 27.308 -1.588 1.00 0.00 H new ATOM 493 N LEU A 46 -1.773 24.752 -4.136 1.00 0.00 N ATOM 494 CA LEU A 46 -0.502 24.203 -4.597 1.00 0.00 C ATOM 495 C LEU A 46 0.120 25.047 -5.680 1.00 0.00 C ATOM 496 O LEU A 46 -0.257 24.930 -6.849 1.00 0.00 O ATOM 497 CB LEU A 46 -0.727 22.770 -5.137 1.00 0.00 C ATOM 498 CG LEU A 46 -0.479 21.733 -4.008 1.00 0.00 C ATOM 499 CD1 LEU A 46 -1.440 22.003 -2.827 1.00 0.00 C ATOM 500 CD2 LEU A 46 -0.702 20.317 -4.553 1.00 0.00 C ATOM 0 H LEU A 46 -2.500 24.792 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 46 0.181 24.191 -3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.744 22.671 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.055 22.578 -5.973 1.00 0.00 H new ATOM 0 HG LEU A 46 0.548 21.823 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.261 21.272 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.266 23.006 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.471 21.921 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.528 19.590 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.727 20.223 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.010 20.130 -5.375 1.00 0.00 H new ATOM 512 N ASP A 47 1.086 25.876 -5.295 1.00 0.00 N ATOM 513 CA ASP A 47 1.799 26.711 -6.260 1.00 0.00 C ATOM 514 C ASP A 47 3.122 26.049 -6.591 1.00 0.00 C ATOM 515 O ASP A 47 3.837 25.586 -5.691 1.00 0.00 O ATOM 516 CB ASP A 47 2.034 28.104 -5.688 1.00 0.00 C ATOM 517 CG ASP A 47 0.696 28.750 -5.346 1.00 0.00 C ATOM 518 OD1 ASP A 47 -0.191 28.704 -6.185 1.00 0.00 O ATOM 519 OD2 ASP A 47 0.574 29.277 -4.255 1.00 0.00 O ATOM 0 H ASP A 47 1.393 25.988 -4.329 1.00 0.00 H new ATOM 0 HA ASP A 47 1.201 26.815 -7.166 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.657 28.041 -4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.572 28.718 -6.410 1.00 0.00 H new ATOM 524 N PHE A 48 3.464 26.005 -7.879 1.00 0.00 N ATOM 525 CA PHE A 48 4.692 25.369 -8.319 1.00 0.00 C ATOM 526 C PHE A 48 5.850 25.616 -7.374 1.00 0.00 C ATOM 527 O PHE A 48 6.512 24.678 -6.927 1.00 0.00 O ATOM 528 CB PHE A 48 5.089 25.914 -9.706 1.00 0.00 C ATOM 529 CG PHE A 48 6.285 25.127 -10.243 1.00 0.00 C ATOM 530 CD1 PHE A 48 6.088 23.854 -10.799 1.00 0.00 C ATOM 531 CD2 PHE A 48 7.578 25.666 -10.164 1.00 0.00 C ATOM 532 CE1 PHE A 48 7.179 23.130 -11.281 1.00 0.00 C ATOM 533 CE2 PHE A 48 8.665 24.943 -10.646 1.00 0.00 C ATOM 534 CZ PHE A 48 8.467 23.674 -11.206 1.00 0.00 C ATOM 0 H PHE A 48 2.903 26.404 -8.631 1.00 0.00 H new ATOM 0 HA PHE A 48 4.495 24.297 -8.350 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.248 25.832 -10.395 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.340 26.972 -9.634 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.094 23.435 -10.854 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.730 26.643 -9.729 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.030 22.151 -11.712 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.660 25.359 -10.588 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.311 23.114 -11.581 1.00 0.00 H new ATOM 544 N ASP A 49 6.051 26.880 -7.011 1.00 0.00 N ATOM 545 CA ASP A 49 7.154 27.245 -6.135 1.00 0.00 C ATOM 546 C ASP A 49 7.215 26.361 -4.898 1.00 0.00 C ATOM 547 O ASP A 49 8.243 25.746 -4.617 1.00 0.00 O ATOM 548 CB ASP A 49 7.016 28.720 -5.702 1.00 0.00 C ATOM 549 CG ASP A 49 8.235 29.149 -4.876 1.00 0.00 C ATOM 550 OD1 ASP A 49 9.304 29.251 -5.452 1.00 0.00 O ATOM 551 OD2 ASP A 49 8.080 29.336 -3.682 1.00 0.00 O ATOM 0 H ASP A 49 5.468 27.662 -7.309 1.00 0.00 H new ATOM 0 HA ASP A 49 8.077 27.103 -6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.922 29.357 -6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.107 28.850 -5.115 1.00 0.00 H new ATOM 556 N GLU A 50 6.110 26.300 -4.172 1.00 0.00 N ATOM 557 CA GLU A 50 6.054 25.502 -2.956 1.00 0.00 C ATOM 558 C GLU A 50 6.350 24.044 -3.245 1.00 0.00 C ATOM 559 O GLU A 50 7.180 23.433 -2.583 1.00 0.00 O ATOM 560 CB GLU A 50 4.655 25.624 -2.321 1.00 0.00 C ATOM 561 CG GLU A 50 4.348 27.102 -2.011 1.00 0.00 C ATOM 562 CD GLU A 50 5.260 27.611 -0.891 1.00 0.00 C ATOM 563 OE1 GLU A 50 5.305 26.961 0.141 1.00 0.00 O ATOM 564 OE2 GLU A 50 5.916 28.616 -1.096 1.00 0.00 O ATOM 0 H GLU A 50 5.245 26.790 -4.401 1.00 0.00 H new ATOM 0 HA GLU A 50 6.810 25.878 -2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.902 25.221 -2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.609 25.034 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.490 27.706 -2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.304 27.210 -1.716 1.00 0.00 H new ATOM 571 N TRP A 51 5.665 23.494 -4.245 1.00 0.00 N ATOM 572 CA TRP A 51 5.851 22.089 -4.590 1.00 0.00 C ATOM 573 C TRP A 51 7.283 21.815 -5.017 1.00 0.00 C ATOM 574 O TRP A 51 7.981 21.013 -4.392 1.00 0.00 O ATOM 575 CB TRP A 51 4.895 21.710 -5.735 1.00 0.00 C ATOM 576 CG TRP A 51 5.006 20.239 -6.024 1.00 0.00 C ATOM 577 CD1 TRP A 51 5.942 19.676 -6.820 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.196 19.152 -5.505 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.747 18.312 -6.840 1.00 0.00 N ATOM 580 CE2 TRP A 51 4.680 17.938 -6.044 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.093 19.100 -4.635 1.00 0.00 C ATOM 582 CZ2 TRP A 51 4.092 16.713 -5.731 1.00 0.00 C ATOM 583 CZ3 TRP A 51 2.497 17.867 -4.318 1.00 0.00 C ATOM 584 CH2 TRP A 51 2.995 16.677 -4.866 1.00 0.00 C ATOM 0 H TRP A 51 4.987 23.991 -4.822 1.00 0.00 H new ATOM 0 HA TRP A 51 5.634 21.488 -3.707 1.00 0.00 H new ATOM 0 HB2 TRP A 51 3.870 21.960 -5.463 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.137 22.285 -6.629 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.716 20.208 -7.353 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.319 17.659 -7.376 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.702 20.012 -4.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.481 15.799 -6.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.650 17.836 -3.648 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.531 15.733 -4.620 1.00 0.00 H new ATOM 595 N ARG A 52 7.715 22.484 -6.080 1.00 0.00 N ATOM 596 CA ARG A 52 9.048 22.279 -6.583 1.00 0.00 C ATOM 597 C ARG A 52 10.097 22.417 -5.480 1.00 0.00 C ATOM 598 O ARG A 52 10.913 21.526 -5.286 1.00 0.00 O ATOM 599 CB ARG A 52 9.349 23.317 -7.685 1.00 0.00 C ATOM 600 CG ARG A 52 10.772 23.072 -8.280 1.00 0.00 C ATOM 601 CD ARG A 52 11.720 24.183 -7.822 1.00 0.00 C ATOM 602 NE ARG A 52 13.065 23.921 -8.304 1.00 0.00 N ATOM 603 CZ ARG A 52 14.068 24.757 -8.035 1.00 0.00 C ATOM 604 NH1 ARG A 52 13.849 25.833 -7.323 1.00 0.00 N ATOM 605 NH2 ARG A 52 15.261 24.500 -8.479 1.00 0.00 N ATOM 0 H ARG A 52 7.160 23.165 -6.599 1.00 0.00 H new ATOM 0 HA ARG A 52 9.098 21.266 -6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.600 23.249 -8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.287 24.324 -7.273 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.150 22.102 -7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.723 23.048 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.372 25.146 -8.196 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.721 24.245 -6.734 1.00 0.00 H new ATOM 0 HE ARG A 52 13.245 23.083 -8.858 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.911 26.032 -6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.616 26.473 -7.117 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.429 23.660 -9.032 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.030 25.138 -8.274 1.00 0.00 H new ATOM 619 N GLN A 53 10.051 23.535 -4.769 1.00 0.00 N ATOM 620 CA GLN A 53 11.026 23.799 -3.731 1.00 0.00 C ATOM 621 C GLN A 53 10.945 22.777 -2.608 1.00 0.00 C ATOM 622 O GLN A 53 11.970 22.250 -2.156 1.00 0.00 O ATOM 623 CB GLN A 53 10.811 25.212 -3.162 1.00 0.00 C ATOM 624 CG GLN A 53 11.994 25.597 -2.247 1.00 0.00 C ATOM 625 CD GLN A 53 11.812 27.010 -1.716 1.00 0.00 C ATOM 626 OE1 GLN A 53 10.857 27.277 -0.990 1.00 0.00 O ATOM 627 NE2 GLN A 53 12.668 27.933 -2.049 1.00 0.00 N ATOM 0 H GLN A 53 9.352 24.267 -4.894 1.00 0.00 H new ATOM 0 HA GLN A 53 12.017 23.726 -4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.721 25.931 -3.976 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.878 25.249 -2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.063 24.895 -1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.930 25.527 -2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.458 27.703 -2.652 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.549 28.886 -1.707 1.00 0.00 H new ATOM 636 N GLU A 54 9.730 22.509 -2.161 1.00 0.00 N ATOM 637 CA GLU A 54 9.530 21.567 -1.083 1.00 0.00 C ATOM 638 C GLU A 54 10.107 20.198 -1.427 1.00 0.00 C ATOM 639 O GLU A 54 10.903 19.646 -0.673 1.00 0.00 O ATOM 640 CB GLU A 54 8.022 21.416 -0.788 1.00 0.00 C ATOM 641 CG GLU A 54 7.804 20.427 0.379 1.00 0.00 C ATOM 642 CD GLU A 54 6.323 20.262 0.662 1.00 0.00 C ATOM 643 OE1 GLU A 54 5.707 21.240 1.052 1.00 0.00 O ATOM 644 OE2 GLU A 54 5.826 19.166 0.462 1.00 0.00 O ATOM 0 H GLU A 54 8.876 22.929 -2.527 1.00 0.00 H new ATOM 0 HA GLU A 54 10.047 21.954 -0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.594 22.386 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.504 21.060 -1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.244 19.461 0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.313 20.790 1.272 1.00 0.00 H new ATOM 651 N LEU A 55 9.682 19.655 -2.553 1.00 0.00 N ATOM 652 CA LEU A 55 10.112 18.337 -2.948 1.00 0.00 C ATOM 653 C LEU A 55 11.590 18.285 -3.269 1.00 0.00 C ATOM 654 O LEU A 55 12.252 17.274 -3.048 1.00 0.00 O ATOM 655 CB LEU A 55 9.305 17.883 -4.192 1.00 0.00 C ATOM 656 CG LEU A 55 8.761 16.446 -3.984 1.00 0.00 C ATOM 657 CD1 LEU A 55 7.815 16.078 -5.132 1.00 0.00 C ATOM 658 CD2 LEU A 55 9.939 15.450 -3.939 1.00 0.00 C ATOM 0 H LEU A 55 9.042 20.109 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 55 9.932 17.669 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.478 18.571 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.940 17.914 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 55 8.213 16.401 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.436 15.067 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.981 16.779 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.355 16.125 -6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.556 14.440 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.491 15.496 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.603 15.709 -3.115 1.00 0.00 H new ATOM 670 N LYS A 56 12.097 19.375 -3.814 1.00 0.00 N ATOM 671 CA LYS A 56 13.474 19.410 -4.246 1.00 0.00 C ATOM 672 C LYS A 56 14.430 19.023 -3.143 1.00 0.00 C ATOM 673 O LYS A 56 15.323 18.187 -3.340 1.00 0.00 O ATOM 674 CB LYS A 56 13.827 20.829 -4.736 1.00 0.00 C ATOM 675 CG LYS A 56 15.263 20.852 -5.305 1.00 0.00 C ATOM 676 CD LYS A 56 15.591 22.251 -5.846 1.00 0.00 C ATOM 677 CE LYS A 56 17.012 22.257 -6.421 1.00 0.00 C ATOM 678 NZ LYS A 56 17.315 23.606 -6.954 1.00 0.00 N ATOM 0 H LYS A 56 11.578 20.240 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 56 13.578 18.685 -5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.119 21.144 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.742 21.538 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.976 20.578 -4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.360 20.113 -6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.874 22.531 -6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.507 22.990 -5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 56 17.731 21.988 -5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.101 21.512 -7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.243 23.594 -7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.636 24.292 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 18.279 23.880 -6.677 1.00 0.00 H new ATOM 692 N CYS A 57 14.266 19.638 -1.982 1.00 0.00 N ATOM 693 CA CYS A 57 15.175 19.403 -0.874 1.00 0.00 C ATOM 694 C CYS A 57 15.173 17.953 -0.431 1.00 0.00 C ATOM 695 O CYS A 57 16.055 17.521 0.310 1.00 0.00 O ATOM 696 CB CYS A 57 14.775 20.300 0.317 1.00 0.00 C ATOM 697 SG CYS A 57 14.818 22.041 -0.187 1.00 0.00 S ATOM 0 H CYS A 57 13.516 20.300 -1.784 1.00 0.00 H new ATOM 0 HA CYS A 57 16.181 19.645 -1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.776 20.036 0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.456 20.136 1.152 1.00 0.00 H new ATOM 0 HG CYS A 57 13.798 22.297 -0.951 1.00 0.00 H new ATOM 703 N ARG A 58 14.176 17.214 -0.885 1.00 0.00 N ATOM 704 CA ARG A 58 14.025 15.813 -0.501 1.00 0.00 C ATOM 705 C ARG A 58 14.899 14.918 -1.331 1.00 0.00 C ATOM 706 O ARG A 58 14.644 13.714 -1.443 1.00 0.00 O ATOM 707 CB ARG A 58 12.556 15.388 -0.639 1.00 0.00 C ATOM 708 CG ARG A 58 11.635 16.473 -0.038 1.00 0.00 C ATOM 709 CD ARG A 58 11.892 16.601 1.472 1.00 0.00 C ATOM 710 NE ARG A 58 10.828 17.369 2.099 1.00 0.00 N ATOM 711 CZ ARG A 58 10.851 17.636 3.406 1.00 0.00 C ATOM 712 NH1 ARG A 58 11.843 17.205 4.143 1.00 0.00 N ATOM 713 NH2 ARG A 58 9.887 18.319 3.943 1.00 0.00 N ATOM 0 H ARG A 58 13.456 17.557 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 58 14.336 15.714 0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.311 15.232 -1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.394 14.438 -0.129 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.817 17.429 -0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.591 16.216 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.950 15.611 1.924 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.852 17.087 1.645 1.00 0.00 H new ATOM 0 HE ARG A 58 10.052 17.709 1.531 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.597 16.666 3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.862 17.408 5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.114 18.650 3.366 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.902 18.524 4.942 1.00 0.00 H new ATOM 727 N GLY A 59 15.944 15.491 -1.909 1.00 0.00 N ATOM 728 CA GLY A 59 16.885 14.713 -2.710 1.00 0.00 C ATOM 729 C GLY A 59 16.421 14.576 -4.142 1.00 0.00 C ATOM 730 O GLY A 59 16.968 13.775 -4.905 1.00 0.00 O ATOM 0 H GLY A 59 16.163 16.485 -1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.864 15.192 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.005 13.723 -2.270 1.00 0.00 H new ATOM 734 N HIS A 60 15.408 15.359 -4.511 1.00 0.00 N ATOM 735 CA HIS A 60 14.875 15.326 -5.875 1.00 0.00 C ATOM 736 C HIS A 60 15.442 16.490 -6.677 1.00 0.00 C ATOM 737 O HIS A 60 15.756 17.548 -6.130 1.00 0.00 O ATOM 738 CB HIS A 60 13.344 15.419 -5.847 1.00 0.00 C ATOM 739 CG HIS A 60 12.764 14.072 -5.507 1.00 0.00 C ATOM 740 ND1 HIS A 60 12.154 13.276 -6.461 1.00 0.00 N ATOM 741 CD2 HIS A 60 12.708 13.370 -4.335 1.00 0.00 C ATOM 742 CE1 HIS A 60 11.755 12.148 -5.846 1.00 0.00 C ATOM 743 NE2 HIS A 60 12.070 12.154 -4.549 1.00 0.00 N ATOM 0 H HIS A 60 14.942 16.020 -3.890 1.00 0.00 H new ATOM 0 HA HIS A 60 15.165 14.386 -6.344 1.00 0.00 H new ATOM 0 HB2 HIS A 60 13.028 16.159 -5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.972 15.753 -6.816 1.00 0.00 H new ATOM 0 HD2 HIS A 60 13.100 13.709 -3.387 1.00 0.00 H new ATOM 0 HE1 HIS A 60 11.242 11.337 -6.341 1.00 0.00 H new ATOM 0 HE2 HIS A 60 11.883 11.423 -3.862 1.00 0.00 H new ATOM 751 N ALA A 61 15.578 16.283 -7.991 1.00 0.00 N ATOM 752 CA ALA A 61 16.113 17.317 -8.873 1.00 0.00 C ATOM 753 C ALA A 61 15.017 18.290 -9.270 1.00 0.00 C ATOM 754 O ALA A 61 13.861 18.119 -8.909 1.00 0.00 O ATOM 755 CB ALA A 61 16.719 16.675 -10.125 1.00 0.00 C ATOM 0 H ALA A 61 15.326 15.414 -8.462 1.00 0.00 H new ATOM 0 HA ALA A 61 16.891 17.863 -8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.116 17.453 -10.777 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.524 16.000 -9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.949 16.115 -10.655 1.00 0.00 H new ATOM 761 N ASP A 62 15.395 19.321 -10.019 1.00 0.00 N ATOM 762 CA ASP A 62 14.436 20.327 -10.453 1.00 0.00 C ATOM 763 C ASP A 62 13.606 19.832 -11.625 1.00 0.00 C ATOM 764 O ASP A 62 12.401 20.080 -11.698 1.00 0.00 O ATOM 765 CB ASP A 62 15.181 21.610 -10.871 1.00 0.00 C ATOM 766 CG ASP A 62 16.208 21.295 -11.958 1.00 0.00 C ATOM 767 OD1 ASP A 62 17.019 20.413 -11.736 1.00 0.00 O ATOM 768 OD2 ASP A 62 16.156 21.930 -12.999 1.00 0.00 O ATOM 0 H ASP A 62 16.352 19.480 -10.335 1.00 0.00 H new ATOM 0 HA ASP A 62 13.768 20.534 -9.617 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.469 22.350 -11.237 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.679 22.048 -10.006 1.00 0.00 H new ATOM 773 N ALA A 63 14.259 19.139 -12.558 1.00 0.00 N ATOM 774 CA ALA A 63 13.582 18.659 -13.751 1.00 0.00 C ATOM 775 C ALA A 63 12.733 17.439 -13.462 1.00 0.00 C ATOM 776 O ALA A 63 11.605 17.323 -13.944 1.00 0.00 O ATOM 777 CB ALA A 63 14.624 18.302 -14.827 1.00 0.00 C ATOM 0 H ALA A 63 15.250 18.901 -12.507 1.00 0.00 H new ATOM 0 HA ALA A 63 12.927 19.456 -14.103 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.115 17.942 -15.721 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.210 19.187 -15.074 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.286 17.523 -14.448 1.00 0.00 H new ATOM 783 N ASP A 64 13.273 16.520 -12.668 1.00 0.00 N ATOM 784 CA ASP A 64 12.563 15.285 -12.352 1.00 0.00 C ATOM 785 C ASP A 64 11.160 15.568 -11.838 1.00 0.00 C ATOM 786 O ASP A 64 10.215 14.852 -12.164 1.00 0.00 O ATOM 787 CB ASP A 64 13.347 14.492 -11.290 1.00 0.00 C ATOM 788 CG ASP A 64 14.679 14.007 -11.865 1.00 0.00 C ATOM 789 OD1 ASP A 64 15.256 14.730 -12.663 1.00 0.00 O ATOM 790 OD2 ASP A 64 15.097 12.921 -11.506 1.00 0.00 O ATOM 0 H ASP A 64 14.192 16.605 -12.234 1.00 0.00 H new ATOM 0 HA ASP A 64 12.480 14.700 -13.268 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.527 15.120 -10.417 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.757 13.640 -10.953 1.00 0.00 H new ATOM 795 N ILE A 65 11.036 16.614 -11.040 1.00 0.00 N ATOM 796 CA ILE A 65 9.747 16.972 -10.472 1.00 0.00 C ATOM 797 C ILE A 65 8.806 17.491 -11.538 1.00 0.00 C ATOM 798 O ILE A 65 7.584 17.477 -11.357 1.00 0.00 O ATOM 799 CB ILE A 65 9.939 18.047 -9.385 1.00 0.00 C ATOM 800 CG1 ILE A 65 10.856 17.493 -8.263 1.00 0.00 C ATOM 801 CG2 ILE A 65 8.567 18.436 -8.777 1.00 0.00 C ATOM 802 CD1 ILE A 65 11.338 18.648 -7.375 1.00 0.00 C ATOM 0 H ILE A 65 11.806 17.227 -10.772 1.00 0.00 H new ATOM 0 HA ILE A 65 9.307 16.076 -10.033 1.00 0.00 H new ATOM 0 HB ILE A 65 10.398 18.928 -9.834 1.00 0.00 H new ATOM 0 HG12 ILE A 65 10.313 16.762 -7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.710 16.976 -8.700 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.712 19.196 -8.009 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.920 18.830 -9.561 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.103 17.555 -8.333 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.982 18.257 -6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.897 19.363 -7.979 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.478 19.146 -6.927 1.00 0.00 H new ATOM 814 N GLU A 66 9.371 17.972 -12.627 1.00 0.00 N ATOM 815 CA GLU A 66 8.568 18.536 -13.697 1.00 0.00 C ATOM 816 C GLU A 66 7.639 17.492 -14.299 1.00 0.00 C ATOM 817 O GLU A 66 6.451 17.741 -14.486 1.00 0.00 O ATOM 818 CB GLU A 66 9.488 19.109 -14.801 1.00 0.00 C ATOM 819 CG GLU A 66 8.824 20.336 -15.461 1.00 0.00 C ATOM 820 CD GLU A 66 7.497 19.931 -16.107 1.00 0.00 C ATOM 821 OE1 GLU A 66 7.463 18.871 -16.717 1.00 0.00 O ATOM 822 OE2 GLU A 66 6.538 20.664 -15.954 1.00 0.00 O ATOM 0 H GLU A 66 10.377 17.985 -12.796 1.00 0.00 H new ATOM 0 HA GLU A 66 7.959 19.335 -13.275 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.450 19.392 -14.373 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.686 18.345 -15.553 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.652 21.112 -14.715 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.490 20.759 -16.213 1.00 0.00 H new ATOM 829 N ALA A 67 8.199 16.328 -14.604 1.00 0.00 N ATOM 830 CA ALA A 67 7.416 15.249 -15.193 1.00 0.00 C ATOM 831 C ALA A 67 6.334 14.778 -14.224 1.00 0.00 C ATOM 832 O ALA A 67 5.182 14.573 -14.611 1.00 0.00 O ATOM 833 CB ALA A 67 8.333 14.068 -15.542 1.00 0.00 C ATOM 0 H ALA A 67 9.184 16.108 -14.455 1.00 0.00 H new ATOM 0 HA ALA A 67 6.941 15.626 -16.099 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.741 13.265 -15.982 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.090 14.394 -16.256 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.820 13.706 -14.637 1.00 0.00 H new ATOM 839 N VAL A 68 6.714 14.617 -12.960 1.00 0.00 N ATOM 840 CA VAL A 68 5.779 14.155 -11.945 1.00 0.00 C ATOM 841 C VAL A 68 4.674 15.176 -11.736 1.00 0.00 C ATOM 842 O VAL A 68 3.538 14.813 -11.461 1.00 0.00 O ATOM 843 CB VAL A 68 6.524 13.885 -10.625 1.00 0.00 C ATOM 844 CG1 VAL A 68 5.539 13.315 -9.575 1.00 0.00 C ATOM 845 CG2 VAL A 68 7.657 12.867 -10.874 1.00 0.00 C ATOM 0 H VAL A 68 7.657 14.799 -12.618 1.00 0.00 H new ATOM 0 HA VAL A 68 5.323 13.225 -12.285 1.00 0.00 H new ATOM 0 HB VAL A 68 6.946 14.818 -10.252 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.071 13.125 -8.643 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.740 14.035 -9.397 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.112 12.383 -9.945 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.185 12.675 -9.940 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.233 11.936 -11.249 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.354 13.271 -11.609 1.00 0.00 H new ATOM 855 N PHE A 69 5.036 16.448 -11.801 1.00 0.00 N ATOM 856 CA PHE A 69 4.072 17.512 -11.592 1.00 0.00 C ATOM 857 C PHE A 69 3.246 17.706 -12.846 1.00 0.00 C ATOM 858 O PHE A 69 2.028 17.631 -12.804 1.00 0.00 O ATOM 859 CB PHE A 69 4.800 18.819 -11.244 1.00 0.00 C ATOM 860 CG PHE A 69 3.797 19.971 -11.218 1.00 0.00 C ATOM 861 CD1 PHE A 69 3.044 20.218 -10.062 1.00 0.00 C ATOM 862 CD2 PHE A 69 3.618 20.771 -12.358 1.00 0.00 C ATOM 863 CE1 PHE A 69 2.124 21.265 -10.044 1.00 0.00 C ATOM 864 CE2 PHE A 69 2.699 21.816 -12.337 1.00 0.00 C ATOM 865 CZ PHE A 69 1.952 22.066 -11.180 1.00 0.00 C ATOM 0 H PHE A 69 5.986 16.765 -11.996 1.00 0.00 H new ATOM 0 HA PHE A 69 3.415 17.240 -10.766 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.290 18.728 -10.275 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.581 19.019 -11.978 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.176 19.599 -9.187 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.193 20.575 -13.251 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.544 21.459 -9.154 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.562 22.433 -13.213 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.241 22.879 -11.163 1.00 0.00 H new ATOM 875 N ALA A 70 3.911 18.001 -13.958 1.00 0.00 N ATOM 876 CA ALA A 70 3.211 18.298 -15.210 1.00 0.00 C ATOM 877 C ALA A 70 1.999 17.409 -15.402 1.00 0.00 C ATOM 878 O ALA A 70 0.951 17.862 -15.847 1.00 0.00 O ATOM 879 CB ALA A 70 4.161 18.051 -16.396 1.00 0.00 C ATOM 0 H ALA A 70 4.928 18.042 -14.022 1.00 0.00 H new ATOM 0 HA ALA A 70 2.888 19.338 -15.164 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.643 18.271 -17.329 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.034 18.698 -16.304 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.480 17.009 -16.395 1.00 0.00 H new ATOM 885 N LYS A 71 2.134 16.154 -15.017 1.00 0.00 N ATOM 886 CA LYS A 71 1.051 15.188 -15.172 1.00 0.00 C ATOM 887 C LYS A 71 -0.246 15.660 -14.527 1.00 0.00 C ATOM 888 O LYS A 71 -1.274 15.002 -14.652 1.00 0.00 O ATOM 889 CB LYS A 71 1.462 13.834 -14.569 1.00 0.00 C ATOM 890 CG LYS A 71 1.221 13.842 -13.045 1.00 0.00 C ATOM 891 CD LYS A 71 1.916 12.643 -12.391 1.00 0.00 C ATOM 892 CE LYS A 71 1.331 11.330 -12.952 1.00 0.00 C ATOM 893 NZ LYS A 71 2.041 10.978 -14.218 1.00 0.00 N ATOM 0 H LYS A 71 2.981 15.775 -14.594 1.00 0.00 H new ATOM 0 HA LYS A 71 0.868 15.082 -16.241 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.889 13.031 -15.032 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.513 13.637 -14.779 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.599 14.769 -12.615 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.151 13.808 -12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.988 12.684 -12.581 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.782 12.679 -11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.443 10.527 -12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.263 11.444 -13.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.373 11.022 -15.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.817 11.651 -14.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.428 10.015 -14.143 1.00 0.00 H new ATOM 907 N TYR A 72 -0.159 16.771 -13.812 1.00 0.00 N ATOM 908 CA TYR A 72 -1.301 17.311 -13.082 1.00 0.00 C ATOM 909 C TYR A 72 -1.851 18.559 -13.755 1.00 0.00 C ATOM 910 O TYR A 72 -2.883 19.083 -13.327 1.00 0.00 O ATOM 911 CB TYR A 72 -0.884 17.623 -11.642 1.00 0.00 C ATOM 912 CG TYR A 72 -0.898 16.339 -10.818 1.00 0.00 C ATOM 913 CD1 TYR A 72 -2.128 15.756 -10.466 1.00 0.00 C ATOM 914 CD2 TYR A 72 0.298 15.736 -10.417 1.00 0.00 C ATOM 915 CE1 TYR A 72 -2.151 14.582 -9.719 1.00 0.00 C ATOM 916 CE2 TYR A 72 0.273 14.564 -9.669 1.00 0.00 C ATOM 917 CZ TYR A 72 -0.950 13.986 -9.317 1.00 0.00 C ATOM 918 OH TYR A 72 -0.973 12.827 -8.571 1.00 0.00 O ATOM 0 H TYR A 72 0.695 17.321 -13.720 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.094 16.563 -13.079 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.112 18.065 -11.628 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.564 18.355 -11.206 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.054 16.219 -10.775 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.244 16.182 -10.689 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.095 14.131 -9.450 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.198 14.100 -9.360 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.083 12.416 -8.577 1.00 0.00 H new ATOM 928 N ASP A 73 -1.167 19.031 -14.786 1.00 0.00 N ATOM 929 CA ASP A 73 -1.619 20.218 -15.518 1.00 0.00 C ATOM 930 C ASP A 73 -2.773 19.838 -16.429 1.00 0.00 C ATOM 931 O ASP A 73 -2.606 19.055 -17.372 1.00 0.00 O ATOM 932 CB ASP A 73 -0.468 20.787 -16.344 1.00 0.00 C ATOM 933 CG ASP A 73 0.661 21.249 -15.425 1.00 0.00 C ATOM 934 OD1 ASP A 73 0.413 21.416 -14.238 1.00 0.00 O ATOM 935 OD2 ASP A 73 1.755 21.430 -15.919 1.00 0.00 O ATOM 0 H ASP A 73 -0.303 18.619 -15.137 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.953 20.976 -14.810 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.098 20.030 -17.035 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.822 21.623 -16.947 1.00 0.00 H new ATOM 940 N VAL A 74 -3.950 20.394 -16.155 1.00 0.00 N ATOM 941 CA VAL A 74 -5.128 20.105 -16.949 1.00 0.00 C ATOM 942 C VAL A 74 -5.240 21.030 -18.143 1.00 0.00 C ATOM 943 O VAL A 74 -5.446 20.579 -19.271 1.00 0.00 O ATOM 944 CB VAL A 74 -6.389 20.229 -16.069 1.00 0.00 C ATOM 945 CG1 VAL A 74 -7.639 19.802 -16.876 1.00 0.00 C ATOM 946 CG2 VAL A 74 -6.242 19.311 -14.834 1.00 0.00 C ATOM 0 H VAL A 74 -4.108 21.047 -15.387 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.038 19.086 -17.326 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.503 21.265 -15.750 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.526 19.892 -16.248 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.746 20.446 -17.749 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.527 18.767 -17.200 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.131 19.396 -14.210 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.125 18.278 -15.161 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.366 19.611 -14.260 1.00 0.00 H new ATOM 956 N ASP A 75 -5.139 22.332 -17.880 1.00 0.00 N ATOM 957 CA ASP A 75 -5.257 23.338 -18.935 1.00 0.00 C ATOM 958 C ASP A 75 -3.952 24.114 -19.083 1.00 0.00 C ATOM 959 O ASP A 75 -3.872 25.050 -19.880 1.00 0.00 O ATOM 960 CB ASP A 75 -6.404 24.302 -18.611 1.00 0.00 C ATOM 961 CG ASP A 75 -7.710 23.526 -18.457 1.00 0.00 C ATOM 962 OD1 ASP A 75 -7.956 22.648 -19.269 1.00 0.00 O ATOM 963 OD2 ASP A 75 -8.444 23.817 -17.526 1.00 0.00 O ATOM 0 H ASP A 75 -4.976 22.714 -16.949 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.469 22.831 -19.877 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.184 24.846 -17.693 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.503 25.043 -19.405 1.00 0.00 H new ATOM 968 N GLY A 76 -2.941 23.729 -18.305 1.00 0.00 N ATOM 969 CA GLY A 76 -1.653 24.410 -18.351 1.00 0.00 C ATOM 970 C GLY A 76 -1.749 25.785 -17.710 1.00 0.00 C ATOM 971 O GLY A 76 -0.866 26.628 -17.892 1.00 0.00 O ATOM 0 H GLY A 76 -2.990 22.956 -17.642 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.902 23.813 -17.833 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.324 24.508 -19.386 1.00 0.00 H new ATOM 975 N ASP A 77 -2.830 26.019 -16.958 1.00 0.00 N ATOM 976 CA ASP A 77 -3.030 27.315 -16.304 1.00 0.00 C ATOM 977 C ASP A 77 -2.015 27.515 -15.201 1.00 0.00 C ATOM 978 O ASP A 77 -1.817 28.635 -14.728 1.00 0.00 O ATOM 979 CB ASP A 77 -4.443 27.379 -15.714 1.00 0.00 C ATOM 980 CG ASP A 77 -5.487 27.361 -16.831 1.00 0.00 C ATOM 981 OD1 ASP A 77 -5.132 27.655 -17.964 1.00 0.00 O ATOM 982 OD2 ASP A 77 -6.623 27.045 -16.539 1.00 0.00 O ATOM 0 H ASP A 77 -3.570 25.338 -16.789 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.903 28.104 -17.046 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.603 26.534 -15.044 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.555 28.284 -15.118 1.00 0.00 H new ATOM 987 N ARG A 78 -1.348 26.441 -14.823 1.00 0.00 N ATOM 988 CA ARG A 78 -0.291 26.518 -13.813 1.00 0.00 C ATOM 989 C ARG A 78 -0.840 26.971 -12.472 1.00 0.00 C ATOM 990 O ARG A 78 -0.176 27.700 -11.723 1.00 0.00 O ATOM 991 CB ARG A 78 0.808 27.494 -14.284 1.00 0.00 C ATOM 992 CG ARG A 78 2.135 27.184 -13.562 1.00 0.00 C ATOM 993 CD ARG A 78 3.184 28.219 -13.954 1.00 0.00 C ATOM 994 NE ARG A 78 4.436 27.946 -13.259 1.00 0.00 N ATOM 995 CZ ARG A 78 5.446 28.816 -13.290 1.00 0.00 C ATOM 996 NH1 ARG A 78 5.320 29.937 -13.952 1.00 0.00 N ATOM 997 NH2 ARG A 78 6.551 28.551 -12.662 1.00 0.00 N ATOM 0 H ARG A 78 -1.513 25.505 -15.194 1.00 0.00 H new ATOM 0 HA ARG A 78 0.131 25.521 -13.686 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.943 27.409 -15.362 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.505 28.521 -14.080 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.985 27.195 -12.482 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.479 26.184 -13.826 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.344 28.197 -15.032 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.831 29.220 -13.705 1.00 0.00 H new ATOM 0 HE ARG A 78 4.541 27.074 -12.740 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.450 30.144 -14.443 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.091 30.604 -13.977 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.647 27.677 -12.145 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.323 29.217 -12.686 1.00 0.00 H new ATOM 1011 N VAL A 79 -2.056 26.554 -12.174 1.00 0.00 N ATOM 1012 CA VAL A 79 -2.680 26.894 -10.902 1.00 0.00 C ATOM 1013 C VAL A 79 -3.599 25.763 -10.452 1.00 0.00 C ATOM 1014 O VAL A 79 -4.557 25.413 -11.150 1.00 0.00 O ATOM 1015 CB VAL A 79 -3.482 28.200 -11.035 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -4.680 27.987 -11.989 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -3.995 28.636 -9.642 1.00 0.00 C ATOM 0 H VAL A 79 -2.632 25.981 -12.790 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.898 27.035 -10.156 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.836 28.978 -11.443 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.243 28.916 -12.078 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.314 27.688 -12.971 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.328 27.206 -11.591 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.563 29.561 -9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.637 27.857 -9.230 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.147 28.797 -8.976 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.322 25.201 -9.275 1.00 0.00 N ATOM 1028 CA LEU A 80 -4.138 24.118 -8.739 1.00 0.00 C ATOM 1029 C LEU A 80 -4.445 24.349 -7.281 1.00 0.00 C ATOM 1030 O LEU A 80 -3.576 24.180 -6.425 1.00 0.00 O ATOM 1031 CB LEU A 80 -3.388 22.789 -8.895 1.00 0.00 C ATOM 1032 CG LEU A 80 -2.957 22.598 -10.376 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -1.515 23.112 -10.566 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -3.030 21.108 -10.752 1.00 0.00 C ATOM 0 H LEU A 80 -2.542 25.478 -8.679 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.077 24.085 -9.292 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.511 22.777 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.026 21.962 -8.583 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.630 23.163 -11.021 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.215 22.977 -11.605 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.469 24.170 -10.309 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.841 22.552 -9.918 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.727 20.980 -11.791 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.363 20.537 -10.106 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.052 20.750 -10.625 1.00 0.00 H new ATOM 1046 N ASP A 81 -5.683 24.726 -6.999 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.118 24.970 -5.628 1.00 0.00 C ATOM 1048 C ASP A 81 -6.738 23.710 -5.047 1.00 0.00 C ATOM 1049 O ASP A 81 -6.629 22.624 -5.614 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.123 26.126 -5.589 1.00 0.00 C ATOM 1051 CG ASP A 81 -6.506 27.370 -6.218 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -5.582 27.909 -5.628 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -6.960 27.763 -7.278 1.00 0.00 O ATOM 0 H ASP A 81 -6.408 24.871 -7.702 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.252 25.244 -5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.031 25.849 -6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.412 26.334 -4.559 1.00 0.00 H new ATOM 1058 N ALA A 82 -7.418 23.862 -3.910 1.00 0.00 N ATOM 1059 CA ALA A 82 -8.076 22.742 -3.251 1.00 0.00 C ATOM 1060 C ALA A 82 -8.991 21.992 -4.221 1.00 0.00 C ATOM 1061 O ALA A 82 -9.441 20.895 -3.933 1.00 0.00 O ATOM 1062 CB ALA A 82 -8.903 23.239 -2.054 1.00 0.00 C ATOM 0 H ALA A 82 -7.525 24.754 -3.428 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.301 22.060 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.389 22.392 -1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.247 23.736 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.660 23.942 -2.402 1.00 0.00 H new ATOM 1068 N GLU A 83 -9.276 22.621 -5.365 1.00 0.00 N ATOM 1069 CA GLU A 83 -10.168 22.033 -6.337 1.00 0.00 C ATOM 1070 C GLU A 83 -9.592 20.743 -6.911 1.00 0.00 C ATOM 1071 O GLU A 83 -10.206 19.684 -6.821 1.00 0.00 O ATOM 1072 CB GLU A 83 -10.433 23.036 -7.465 1.00 0.00 C ATOM 1073 CG GLU A 83 -11.570 22.518 -8.375 1.00 0.00 C ATOM 1074 CD GLU A 83 -11.866 23.523 -9.480 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -11.490 24.677 -9.329 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -12.467 23.126 -10.458 1.00 0.00 O ATOM 0 H GLU A 83 -8.899 23.531 -5.629 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.105 21.787 -5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.704 24.005 -7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.526 23.185 -8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.287 21.560 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.468 22.345 -7.782 1.00 0.00 H new ATOM 1083 N GLU A 84 -8.423 20.851 -7.521 1.00 0.00 N ATOM 1084 CA GLU A 84 -7.769 19.698 -8.135 1.00 0.00 C ATOM 1085 C GLU A 84 -6.978 18.923 -7.097 1.00 0.00 C ATOM 1086 O GLU A 84 -6.616 17.765 -7.313 1.00 0.00 O ATOM 1087 CB GLU A 84 -6.832 20.164 -9.263 1.00 0.00 C ATOM 1088 CG GLU A 84 -7.658 20.816 -10.388 1.00 0.00 C ATOM 1089 CD GLU A 84 -6.727 21.455 -11.411 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -5.976 22.332 -11.020 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -6.786 21.072 -12.561 1.00 0.00 O ATOM 0 H GLU A 84 -7.904 21.725 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.536 19.045 -8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.104 20.876 -8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.270 19.316 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.285 20.067 -10.872 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.326 21.569 -9.971 1.00 0.00 H new ATOM 1098 N GLN A 85 -6.687 19.578 -5.976 1.00 0.00 N ATOM 1099 CA GLN A 85 -5.889 18.957 -4.927 1.00 0.00 C ATOM 1100 C GLN A 85 -6.526 17.652 -4.456 1.00 0.00 C ATOM 1101 O GLN A 85 -5.830 16.687 -4.146 1.00 0.00 O ATOM 1102 CB GLN A 85 -5.731 19.919 -3.744 1.00 0.00 C ATOM 1103 CG GLN A 85 -4.534 19.490 -2.879 1.00 0.00 C ATOM 1104 CD GLN A 85 -4.449 20.358 -1.632 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -4.321 21.650 -1.760 1.00 0.00 O flip ATOM 1106 NE2 GLN A 85 -4.514 19.847 -0.519 1.00 0.00 N flip ATOM 0 H GLN A 85 -6.990 20.531 -5.773 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.905 18.730 -5.338 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.583 20.936 -4.108 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.641 19.925 -3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.638 18.443 -2.596 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.612 19.575 -3.454 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.614 18.836 -0.427 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.468 20.433 0.315 1.00 0.00 H new ATOM 1115 N MET A 86 -7.854 17.642 -4.382 1.00 0.00 N ATOM 1116 CA MET A 86 -8.573 16.449 -3.940 1.00 0.00 C ATOM 1117 C MET A 86 -8.205 15.256 -4.806 1.00 0.00 C ATOM 1118 O MET A 86 -7.907 14.178 -4.295 1.00 0.00 O ATOM 1119 CB MET A 86 -10.086 16.702 -4.026 1.00 0.00 C ATOM 1120 CG MET A 86 -10.493 17.774 -3.008 1.00 0.00 C ATOM 1121 SD MET A 86 -12.262 18.108 -3.155 1.00 0.00 S ATOM 1122 CE MET A 86 -12.331 19.474 -1.969 1.00 0.00 C ATOM 0 H MET A 86 -8.449 18.436 -4.619 1.00 0.00 H new ATOM 0 HA MET A 86 -8.295 16.231 -2.909 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.353 17.023 -5.033 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.630 15.778 -3.831 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.259 17.438 -1.998 1.00 0.00 H new ATOM 0 HG3 MET A 86 -9.924 18.688 -3.180 1.00 0.00 H new ATOM 0 HE1 MET A 86 -13.354 19.843 -1.899 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.004 19.123 -0.990 1.00 0.00 H new ATOM 0 HE3 MET A 86 -11.677 20.279 -2.303 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.220 15.457 -6.119 1.00 0.00 N ATOM 1133 CA LYS A 87 -7.893 14.376 -7.048 1.00 0.00 C ATOM 1134 C LYS A 87 -6.522 13.804 -6.743 1.00 0.00 C ATOM 1135 O LYS A 87 -6.331 12.589 -6.762 1.00 0.00 O ATOM 1136 CB LYS A 87 -7.905 14.914 -8.476 1.00 0.00 C ATOM 1137 CG LYS A 87 -9.323 15.418 -8.830 1.00 0.00 C ATOM 1138 CD LYS A 87 -9.287 16.163 -10.180 1.00 0.00 C ATOM 1139 CE LYS A 87 -8.842 15.204 -11.301 1.00 0.00 C ATOM 1140 NZ LYS A 87 -7.349 15.165 -11.350 1.00 0.00 N ATOM 0 H LYS A 87 -8.452 16.346 -6.562 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.636 13.586 -6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.185 15.726 -8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.602 14.132 -9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.015 14.578 -8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.690 16.082 -8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.273 16.568 -10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.601 17.008 -10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.238 14.205 -11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.241 15.536 -12.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.027 15.384 -12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.961 15.867 -10.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.018 14.216 -11.082 1.00 0.00 H new ATOM 1154 N MET A 88 -5.571 14.689 -6.450 1.00 0.00 N ATOM 1155 CA MET A 88 -4.221 14.250 -6.142 1.00 0.00 C ATOM 1156 C MET A 88 -4.213 13.320 -4.932 1.00 0.00 C ATOM 1157 O MET A 88 -3.835 12.158 -5.028 1.00 0.00 O ATOM 1158 CB MET A 88 -3.329 15.473 -5.848 1.00 0.00 C ATOM 1159 CG MET A 88 -1.859 15.027 -5.713 1.00 0.00 C ATOM 1160 SD MET A 88 -0.831 16.460 -5.319 1.00 0.00 S ATOM 1161 CE MET A 88 -0.360 16.884 -7.014 1.00 0.00 C ATOM 0 H MET A 88 -5.711 15.699 -6.421 1.00 0.00 H new ATOM 0 HA MET A 88 -3.835 13.707 -7.004 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.424 16.205 -6.650 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.656 15.961 -4.930 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.766 14.273 -4.931 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.520 14.567 -6.641 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.093 17.940 -7.064 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.495 16.279 -7.316 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.197 16.689 -7.684 1.00 0.00 H new ATOM 1171 N ALA A 89 -4.632 13.847 -3.786 1.00 0.00 N ATOM 1172 CA ALA A 89 -4.641 13.064 -2.555 1.00 0.00 C ATOM 1173 C ALA A 89 -5.437 11.779 -2.735 1.00 0.00 C ATOM 1174 O ALA A 89 -5.039 10.724 -2.253 1.00 0.00 O ATOM 1175 CB ALA A 89 -5.257 13.890 -1.414 1.00 0.00 C ATOM 0 H ALA A 89 -4.967 14.805 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.611 12.806 -2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.261 13.299 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.668 14.794 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.280 14.163 -1.674 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.562 11.882 -3.436 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.419 10.723 -3.652 1.00 0.00 C ATOM 1183 C HIS A 90 -6.685 9.640 -4.435 1.00 0.00 C ATOM 1184 O HIS A 90 -6.705 8.469 -4.058 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.687 11.148 -4.415 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.648 9.987 -4.498 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -9.713 9.164 -5.608 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -10.567 9.495 -3.608 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -10.645 8.228 -5.363 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -11.197 8.385 -4.156 1.00 0.00 N ATOM 0 H HIS A 90 -6.898 12.747 -3.860 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.697 10.315 -2.680 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.162 11.989 -3.910 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.423 11.486 -5.417 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.770 9.907 -2.631 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.915 7.445 -6.056 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -11.925 7.812 -3.729 1.00 0.00 H new ATOM 1198 N ASP A 91 -6.062 10.042 -5.537 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.360 9.092 -6.394 1.00 0.00 C ATOM 1200 C ASP A 91 -4.157 8.504 -5.679 1.00 0.00 C ATOM 1201 O ASP A 91 -3.867 7.318 -5.806 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.905 9.793 -7.683 1.00 0.00 C ATOM 1203 CG ASP A 91 -6.117 10.306 -8.464 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -7.110 9.595 -8.516 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -6.036 11.401 -8.991 1.00 0.00 O ATOM 0 H ASP A 91 -6.028 11.010 -5.857 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.045 8.281 -6.641 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.243 10.624 -7.439 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.333 9.100 -8.300 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.463 9.342 -4.924 1.00 0.00 N ATOM 1211 CA LEU A 92 -2.281 8.897 -4.197 1.00 0.00 C ATOM 1212 C LEU A 92 -2.647 7.984 -3.058 1.00 0.00 C ATOM 1213 O LEU A 92 -1.826 7.182 -2.615 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.501 10.119 -3.665 1.00 0.00 C ATOM 1215 CG LEU A 92 -0.402 10.533 -4.676 1.00 0.00 C ATOM 1216 CD1 LEU A 92 -1.051 11.041 -5.980 1.00 0.00 C ATOM 1217 CD2 LEU A 92 0.473 11.634 -4.062 1.00 0.00 C ATOM 0 H LEU A 92 -3.694 10.327 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.652 8.335 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.184 10.952 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.049 9.880 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 92 0.219 9.668 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.272 11.330 -6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.660 10.249 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.680 11.904 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.246 11.924 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.145 12.500 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.941 11.261 -3.151 1.00 0.00 H new ATOM 1229 N GLU A 93 -3.863 8.128 -2.569 1.00 0.00 N ATOM 1230 CA GLU A 93 -4.315 7.326 -1.451 1.00 0.00 C ATOM 1231 C GLU A 93 -4.589 5.893 -1.890 1.00 0.00 C ATOM 1232 O GLU A 93 -4.210 4.939 -1.205 1.00 0.00 O ATOM 1233 CB GLU A 93 -5.597 7.938 -0.846 1.00 0.00 C ATOM 1234 CG GLU A 93 -5.987 7.180 0.446 1.00 0.00 C ATOM 1235 CD GLU A 93 -4.911 7.374 1.522 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -4.258 8.411 1.501 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -4.725 6.472 2.308 1.00 0.00 O ATOM 0 H GLU A 93 -4.552 8.790 -2.927 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.528 7.315 -0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.436 8.993 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.411 7.885 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.947 7.543 0.813 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.108 6.118 0.230 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.281 5.753 -3.017 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.626 4.429 -3.532 1.00 0.00 C ATOM 1246 C GLY A 94 -4.372 3.654 -3.907 1.00 0.00 C ATOM 1247 O GLY A 94 -4.171 2.521 -3.462 1.00 0.00 O ATOM 0 H GLY A 94 -5.612 6.531 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.190 3.877 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.272 4.530 -4.404 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.522 4.268 -4.729 1.00 0.00 N ATOM 1252 CA GLN A 95 -2.286 3.618 -5.160 1.00 0.00 C ATOM 1253 C GLN A 95 -1.464 3.171 -3.962 1.00 0.00 C ATOM 1254 O GLN A 95 -0.862 2.103 -3.977 1.00 0.00 O ATOM 1255 CB GLN A 95 -1.459 4.596 -6.011 1.00 0.00 C ATOM 1256 CG GLN A 95 -2.213 4.917 -7.315 1.00 0.00 C ATOM 1257 CD GLN A 95 -1.434 5.943 -8.128 1.00 0.00 C ATOM 1258 OE1 GLN A 95 -0.461 5.593 -8.795 1.00 0.00 O ATOM 1259 NE2 GLN A 95 -1.805 7.191 -8.111 1.00 0.00 N ATOM 0 H GLN A 95 -3.664 5.205 -5.106 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.546 2.740 -5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.274 5.513 -5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.486 4.161 -6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.351 4.007 -7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.207 5.301 -7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.612 7.476 -7.556 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.288 7.884 -8.652 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.451 3.997 -2.922 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.690 3.677 -1.731 1.00 0.00 C ATOM 1270 C LYS A 96 -1.226 2.418 -1.058 1.00 0.00 C ATOM 1271 O LYS A 96 -0.457 1.558 -0.638 1.00 0.00 O ATOM 1272 CB LYS A 96 -0.752 4.851 -0.744 1.00 0.00 C ATOM 1273 CG LYS A 96 0.199 4.591 0.441 1.00 0.00 C ATOM 1274 CD LYS A 96 0.151 5.776 1.418 1.00 0.00 C ATOM 1275 CE LYS A 96 1.107 5.513 2.586 1.00 0.00 C ATOM 1276 NZ LYS A 96 1.034 6.648 3.539 1.00 0.00 N ATOM 0 H LYS A 96 -1.955 4.883 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 96 0.343 3.497 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.474 5.776 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.772 4.979 -0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.088 3.673 0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.217 4.449 0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.431 6.696 0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.864 5.914 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.840 4.583 3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.126 5.396 2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.941 6.740 4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.835 7.526 3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.275 6.474 4.228 1.00 0.00 H new ATOM 1290 N SER A 97 -2.546 2.335 -0.942 1.00 0.00 N ATOM 1291 CA SER A 97 -3.174 1.198 -0.278 1.00 0.00 C ATOM 1292 C SER A 97 -2.803 -0.106 -0.968 1.00 0.00 C ATOM 1293 O SER A 97 -2.434 -1.088 -0.322 1.00 0.00 O ATOM 1294 CB SER A 97 -4.696 1.364 -0.293 1.00 0.00 C ATOM 1295 OG SER A 97 -5.293 0.251 0.360 1.00 0.00 O ATOM 0 H SER A 97 -3.198 3.035 -1.296 1.00 0.00 H new ATOM 0 HA SER A 97 -2.816 1.164 0.751 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.978 2.290 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.056 1.435 -1.319 1.00 0.00 H new ATOM 0 HG SER A 97 -5.383 0.443 1.317 1.00 0.00 H new ATOM 1301 N ASP A 98 -2.891 -0.107 -2.296 1.00 0.00 N ATOM 1302 CA ASP A 98 -2.575 -1.302 -3.070 1.00 0.00 C ATOM 1303 C ASP A 98 -1.111 -1.690 -2.905 1.00 0.00 C ATOM 1304 O ASP A 98 -0.762 -2.868 -2.958 1.00 0.00 O ATOM 1305 CB ASP A 98 -2.881 -1.057 -4.558 1.00 0.00 C ATOM 1306 CG ASP A 98 -2.722 -2.356 -5.354 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -3.606 -3.191 -5.261 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -1.709 -2.502 -6.014 1.00 0.00 O ATOM 0 H ASP A 98 -3.176 0.699 -2.853 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.192 -2.121 -2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.896 -0.676 -4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.209 -0.295 -4.954 1.00 0.00 H new ATOM 1313 N LEU A 99 -0.262 -0.688 -2.725 1.00 0.00 N ATOM 1314 CA LEU A 99 1.162 -0.930 -2.578 1.00 0.00 C ATOM 1315 C LEU A 99 1.515 -1.407 -1.197 1.00 0.00 C ATOM 1316 O LEU A 99 2.281 -2.357 -1.031 1.00 0.00 O ATOM 1317 CB LEU A 99 1.948 0.365 -2.897 1.00 0.00 C ATOM 1318 CG LEU A 99 2.555 0.287 -4.320 1.00 0.00 C ATOM 1319 CD1 LEU A 99 1.428 0.334 -5.371 1.00 0.00 C ATOM 1320 CD2 LEU A 99 3.521 1.458 -4.533 1.00 0.00 C ATOM 0 H LEU A 99 -0.534 0.294 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 99 1.436 -1.718 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.286 1.228 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.741 0.508 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 99 3.101 -0.650 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.860 0.279 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.754 -0.509 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.872 1.266 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.947 1.401 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.982 2.399 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.322 1.408 -3.795 1.00 0.00 H new ATOM 1332 N ASN A 100 0.969 -0.735 -0.200 1.00 0.00 N ATOM 1333 CA ASN A 100 1.268 -1.069 1.189 1.00 0.00 C ATOM 1334 C ASN A 100 0.880 -2.509 1.491 1.00 0.00 C ATOM 1335 O ASN A 100 1.422 -3.128 2.396 1.00 0.00 O ATOM 1336 CB ASN A 100 0.507 -0.113 2.139 1.00 0.00 C ATOM 1337 CG ASN A 100 -0.701 -0.816 2.760 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -1.839 -0.807 2.136 1.00 0.00 O flip ATOM 1339 ND2 ASN A 100 -0.575 -1.429 3.819 1.00 0.00 N flip ATOM 0 H ASN A 100 0.319 0.042 -0.320 1.00 0.00 H new ATOM 0 HA ASN A 100 2.341 -0.956 1.346 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.176 0.234 2.926 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.178 0.768 1.589 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.323 -1.431 4.303 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -1.368 -1.935 4.213 1.00 0.00 H new ATOM 1346 N ASN A 101 -0.090 -3.021 0.737 1.00 0.00 N ATOM 1347 CA ASN A 101 -0.582 -4.370 0.967 1.00 0.00 C ATOM 1348 C ASN A 101 0.569 -5.359 1.129 1.00 0.00 C ATOM 1349 O ASN A 101 0.750 -5.946 2.196 1.00 0.00 O ATOM 1350 CB ASN A 101 -1.471 -4.809 -0.208 1.00 0.00 C ATOM 1351 CG ASN A 101 -2.081 -6.186 0.073 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -2.441 -6.478 1.215 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -2.200 -7.047 -0.894 1.00 0.00 N ATOM 0 H ASN A 101 -0.545 -2.525 -0.030 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.163 -4.363 1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.264 -4.078 -0.366 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -0.883 -4.844 -1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -2.593 -7.970 -0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.900 -6.799 -1.837 1.00 0.00 H new ATOM 1360 N GLN A 102 1.340 -5.528 0.067 1.00 0.00 N ATOM 1361 CA GLN A 102 2.447 -6.471 0.089 1.00 0.00 C ATOM 1362 C GLN A 102 3.669 -5.889 0.760 1.00 0.00 C ATOM 1363 O GLN A 102 4.349 -6.572 1.527 1.00 0.00 O ATOM 1364 CB GLN A 102 2.807 -6.873 -1.359 1.00 0.00 C ATOM 1365 CG GLN A 102 1.569 -7.469 -2.064 1.00 0.00 C ATOM 1366 CD GLN A 102 1.155 -8.780 -1.393 1.00 0.00 C ATOM 1367 OE1 GLN A 102 0.196 -8.804 -0.623 1.00 0.00 O ATOM 1368 NE2 GLN A 102 1.848 -9.858 -1.615 1.00 0.00 N ATOM 0 H GLN A 102 1.222 -5.029 -0.815 1.00 0.00 H new ATOM 0 HA GLN A 102 2.131 -7.343 0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.165 -6.002 -1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.618 -7.601 -1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.744 -6.758 -2.028 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.791 -7.646 -3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.642 -9.831 -2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.597 -10.730 -1.149 1.00 0.00 H new ATOM 1377 N LEU A 103 3.947 -4.626 0.470 1.00 0.00 N ATOM 1378 CA LEU A 103 5.128 -3.976 1.028 1.00 0.00 C ATOM 1379 C LEU A 103 5.093 -3.941 2.541 1.00 0.00 C ATOM 1380 O LEU A 103 5.957 -4.520 3.199 1.00 0.00 O ATOM 1381 CB LEU A 103 5.224 -2.541 0.485 1.00 0.00 C ATOM 1382 CG LEU A 103 5.821 -2.555 -0.948 1.00 0.00 C ATOM 1383 CD1 LEU A 103 5.412 -1.279 -1.696 1.00 0.00 C ATOM 1384 CD2 LEU A 103 7.363 -2.634 -0.860 1.00 0.00 C ATOM 0 H LEU A 103 3.381 -4.036 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 103 6.001 -4.556 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.236 -2.081 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.848 -1.936 1.142 1.00 0.00 H new ATOM 0 HG LEU A 103 5.441 -3.422 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.834 -1.295 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.325 -1.227 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.786 -0.407 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.785 -2.644 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.741 -1.768 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.651 -3.546 -0.336 1.00 0.00 H new ATOM 1396 N ALA A 104 4.092 -3.262 3.082 1.00 0.00 N ATOM 1397 CA ALA A 104 3.955 -3.148 4.531 1.00 0.00 C ATOM 1398 C ALA A 104 2.544 -2.719 4.898 1.00 0.00 C ATOM 1399 O ALA A 104 1.950 -1.864 4.242 1.00 0.00 O ATOM 1400 CB ALA A 104 4.968 -2.128 5.065 1.00 0.00 C ATOM 0 H ALA A 104 3.367 -2.784 2.547 1.00 0.00 H new ATOM 0 HA ALA A 104 4.150 -4.121 4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.864 -2.044 6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.978 -2.457 4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.783 -1.157 4.606 1.00 0.00 H new ATOM 1406 N GLU A 105 2.012 -3.299 5.969 1.00 0.00 N ATOM 1407 CA GLU A 105 0.663 -2.973 6.419 1.00 0.00 C ATOM 1408 C GLU A 105 0.540 -1.490 6.718 1.00 0.00 C ATOM 1409 O GLU A 105 1.537 -0.763 6.714 1.00 0.00 O ATOM 1410 CB GLU A 105 0.320 -3.792 7.673 1.00 0.00 C ATOM 1411 CG GLU A 105 1.371 -3.527 8.770 1.00 0.00 C ATOM 1412 CD GLU A 105 1.058 -4.357 10.006 1.00 0.00 C ATOM 1413 OE1 GLU A 105 1.428 -5.517 10.020 1.00 0.00 O ATOM 1414 OE2 GLU A 105 0.442 -3.823 10.912 1.00 0.00 O ATOM 0 H GLU A 105 2.492 -3.995 6.540 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.038 -3.222 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -0.673 -3.523 8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.294 -4.854 7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.366 -3.774 8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.381 -2.468 9.027 1.00 0.00 H new ATOM 1421 N LEU A 106 -0.686 -1.059 7.005 1.00 0.00 N ATOM 1422 CA LEU A 106 -0.935 0.324 7.320 1.00 0.00 C ATOM 1423 C LEU A 106 -2.345 0.534 7.842 1.00 0.00 C ATOM 1424 O LEU A 106 -2.547 1.102 8.921 1.00 0.00 O ATOM 1425 CB LEU A 106 -0.712 1.204 6.053 1.00 0.00 C ATOM 1426 CG LEU A 106 -0.112 2.576 6.455 1.00 0.00 C ATOM 1427 CD1 LEU A 106 -1.022 3.254 7.507 1.00 0.00 C ATOM 1428 CD2 LEU A 106 1.307 2.371 7.045 1.00 0.00 C ATOM 0 H LEU A 106 -1.514 -1.655 7.023 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.237 0.617 8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.042 0.694 5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.658 1.351 5.532 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.046 3.213 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.598 4.218 7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.016 3.404 7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.094 2.618 8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.727 3.337 7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.246 1.731 7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.947 1.901 6.298 1.00 0.00 H new ATOM 1440 N GLU A 107 -3.319 0.102 7.061 1.00 0.00 N ATOM 1441 CA GLU A 107 -4.725 0.254 7.438 1.00 0.00 C ATOM 1442 C GLU A 107 -5.225 -1.022 8.116 1.00 0.00 C ATOM 1443 O GLU A 107 -6.176 -0.929 8.868 1.00 0.00 O ATOM 1444 CB GLU A 107 -5.568 0.558 6.189 1.00 0.00 C ATOM 1445 CG GLU A 107 -5.351 -0.538 5.128 1.00 0.00 C ATOM 1446 CD GLU A 107 -6.160 -0.225 3.877 1.00 0.00 C ATOM 1447 OE1 GLU A 107 -5.698 0.580 3.088 1.00 0.00 O ATOM 1448 OE2 GLU A 107 -7.235 -0.783 3.737 1.00 0.00 O ATOM 1449 OXT GLU A 107 -4.673 -2.074 7.831 1.00 0.00 O ATOM 0 H GLU A 107 -3.169 -0.357 6.162 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.820 1.083 8.139 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.623 0.613 6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.292 1.530 5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.292 -0.608 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -5.648 -1.507 5.529 1.00 0.00 H new TER 1456 GLU A 107