USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 704 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 67 GLN :FLIP amide:sc= -3.61! C(o=-11!,f=-6.1!) USER MOD Set 1.2: A 75 HIS :FLIP no HE2:sc= -2.48! F(o=-6.9,f=-6.1!) USER MOD Set 2.1: A 59 THR OG1 : rot 180:sc= -0.188 USER MOD Set 2.2: A 60 GLN : amide:sc= -1.14 K(o=-1.3,f=-6.2!) USER MOD Set 3.1: A 7 TYR OH : rot 180:sc= -1.47! USER MOD Set 3.2: A 37 MET CE :methyl 153:sc= -1.86 (180deg=-4.47!) USER MOD Set 4.1: A 1 MET CE :methyl 150:sc= -0.926 (180deg=-1.5!) USER MOD Set 4.2: A 29 GLN : amide:sc= -1.15 K(o=-2.1,f=-8.6!) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.11 (180deg=-0.631) USER MOD Single : A 3 LYS NZ :NH3+ -174:sc= 1.16 (180deg=1.12) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 53:sc= 1.23 USER MOD Single : A 10 ASN : amide:sc= -0.854 K(o=-0.85,f=-5.1!) USER MOD Single : A 12 HIS :FLIP no HE2:sc= 0.277 F(o=-1.2,f=0.28) USER MOD Single : A 13 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0015) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0435 K(o=-0.043,f=-0.62) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 77:sc= 0.92 USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0169) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.069 F(o=-0.63,f=-0.069) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0106) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -138:sc= -3.19 (180deg=-7.76!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 81 GLN : amide:sc= 0.351 K(o=0.35,f=-5.3!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.084 0.199 -6.599 1.00 0.00 N ATOM 2 CA MET A 1 -10.153 -0.252 -5.186 1.00 0.00 C ATOM 3 C MET A 1 -8.877 0.113 -4.431 1.00 0.00 C ATOM 4 O MET A 1 -7.949 0.677 -5.012 1.00 0.00 O ATOM 5 CB MET A 1 -10.453 -1.748 -5.138 1.00 0.00 C ATOM 6 CG MET A 1 -11.066 -2.197 -3.815 1.00 0.00 C ATOM 7 SD MET A 1 -12.308 -1.064 -3.158 1.00 0.00 S ATOM 8 CE MET A 1 -13.516 -2.220 -2.514 1.00 0.00 C ATOM 0 H1 MET A 1 -10.869 0.853 -6.793 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.180 0.685 -6.765 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.155 -0.625 -7.230 1.00 0.00 H new ATOM 0 HA MET A 1 -10.967 0.267 -4.680 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.134 -2.002 -5.951 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.530 -2.302 -5.310 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.521 -3.178 -3.952 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.270 -2.314 -3.079 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.028 -1.774 -1.661 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.243 -2.457 -3.291 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.013 -3.134 -2.198 1.00 0.00 H new ATOM 20 N PHE A 2 -8.854 -0.160 -3.126 1.00 0.00 N ATOM 21 CA PHE A 2 -7.716 0.198 -2.280 1.00 0.00 C ATOM 22 C PHE A 2 -6.391 -0.034 -2.986 1.00 0.00 C ATOM 23 O PHE A 2 -6.068 -1.142 -3.403 1.00 0.00 O ATOM 24 CB PHE A 2 -7.735 -0.602 -0.985 1.00 0.00 C ATOM 25 CG PHE A 2 -9.003 -0.460 -0.196 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.146 0.566 0.723 1.00 0.00 C ATOM 27 CD2 PHE A 2 -10.048 -1.354 -0.365 1.00 0.00 C ATOM 28 CE1 PHE A 2 -10.306 0.700 1.458 1.00 0.00 C ATOM 29 CE2 PHE A 2 -11.211 -1.227 0.369 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.340 -0.198 1.282 1.00 0.00 C ATOM 0 H PHE A 2 -9.613 -0.629 -2.631 1.00 0.00 H new ATOM 0 HA PHE A 2 -7.810 1.261 -2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.581 -1.655 -1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.896 -0.288 -0.364 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -8.340 1.270 0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -9.952 -2.159 -1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -10.405 1.506 2.170 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -12.018 -1.931 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 2 -12.248 -0.096 1.857 1.00 0.00 H new ATOM 40 N LYS A 3 -5.641 1.043 -3.110 1.00 0.00 N ATOM 41 CA LYS A 3 -4.346 1.019 -3.765 1.00 0.00 C ATOM 42 C LYS A 3 -3.233 0.739 -2.769 1.00 0.00 C ATOM 43 O LYS A 3 -3.084 1.454 -1.782 1.00 0.00 O ATOM 44 CB LYS A 3 -4.092 2.357 -4.457 1.00 0.00 C ATOM 45 CG LYS A 3 -4.885 2.539 -5.741 1.00 0.00 C ATOM 46 CD LYS A 3 -6.231 3.195 -5.473 1.00 0.00 C ATOM 47 CE LYS A 3 -6.231 4.660 -5.882 1.00 0.00 C ATOM 48 NZ LYS A 3 -7.144 4.916 -7.031 1.00 0.00 N ATOM 0 H LYS A 3 -5.912 1.962 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.353 0.218 -4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.340 3.165 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.029 2.444 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.314 3.150 -6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.039 1.570 -6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.010 2.664 -6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.472 3.112 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.534 5.274 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.218 4.963 -6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.040 5.902 -7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.903 4.276 -7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.127 4.748 -6.737 1.00 0.00 H new ATOM 62 N VAL A 4 -2.447 -0.299 -3.028 1.00 0.00 N ATOM 63 CA VAL A 4 -1.347 -0.641 -2.139 1.00 0.00 C ATOM 64 C VAL A 4 -0.012 -0.181 -2.703 1.00 0.00 C ATOM 65 O VAL A 4 0.345 -0.498 -3.838 1.00 0.00 O ATOM 66 CB VAL A 4 -1.271 -2.156 -1.849 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.117 -2.545 -1.360 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.306 -2.554 -0.818 1.00 0.00 C ATOM 0 H VAL A 4 -2.550 -0.912 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.549 -0.119 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.476 -2.685 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.146 -3.617 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.855 -2.297 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.346 -2.001 -0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.237 -3.625 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.126 -2.008 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.302 -2.316 -1.192 1.00 0.00 H new ATOM 78 N TYR A 5 0.735 0.539 -1.881 1.00 0.00 N ATOM 79 CA TYR A 5 2.049 1.022 -2.261 1.00 0.00 C ATOM 80 C TYR A 5 3.107 0.183 -1.558 1.00 0.00 C ATOM 81 O TYR A 5 3.400 0.408 -0.385 1.00 0.00 O ATOM 82 CB TYR A 5 2.226 2.491 -1.864 1.00 0.00 C ATOM 83 CG TYR A 5 1.486 3.486 -2.735 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.260 3.181 -3.313 1.00 0.00 C ATOM 85 CD2 TYR A 5 2.022 4.746 -2.964 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.409 4.105 -4.095 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.361 5.673 -3.746 1.00 0.00 C ATOM 88 CZ TYR A 5 0.147 5.348 -4.309 1.00 0.00 C ATOM 89 OH TYR A 5 -0.516 6.270 -5.087 1.00 0.00 O ATOM 0 H TYR A 5 0.448 0.803 -0.938 1.00 0.00 H new ATOM 0 HA TYR A 5 2.154 0.940 -3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.893 2.615 -0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.289 2.732 -1.887 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.177 2.207 -3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.973 5.006 -2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.362 3.854 -4.536 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.794 6.648 -3.915 1.00 0.00 H new ATOM 0 HH TYR A 5 0.011 7.095 -5.137 1.00 0.00 H new ATOM 99 N GLY A 6 3.667 -0.789 -2.262 1.00 0.00 N ATOM 100 CA GLY A 6 4.672 -1.641 -1.663 1.00 0.00 C ATOM 101 C GLY A 6 5.498 -2.371 -2.700 1.00 0.00 C ATOM 102 O GLY A 6 5.873 -1.796 -3.722 1.00 0.00 O ATOM 0 H GLY A 6 3.444 -1.002 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.330 -1.038 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.187 -2.367 -1.011 1.00 0.00 H new ATOM 106 N TYR A 7 5.796 -3.635 -2.432 1.00 0.00 N ATOM 107 CA TYR A 7 6.593 -4.436 -3.338 1.00 0.00 C ATOM 108 C TYR A 7 5.868 -5.716 -3.741 1.00 0.00 C ATOM 109 O TYR A 7 5.023 -6.222 -3.004 1.00 0.00 O ATOM 110 CB TYR A 7 7.914 -4.770 -2.668 1.00 0.00 C ATOM 111 CG TYR A 7 8.744 -3.549 -2.361 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.432 -2.885 -3.365 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.829 -3.055 -1.066 1.00 0.00 C ATOM 114 CE1 TYR A 7 10.183 -1.763 -3.088 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.579 -1.931 -0.781 1.00 0.00 C ATOM 116 CZ TYR A 7 10.255 -1.288 -1.795 1.00 0.00 C ATOM 117 OH TYR A 7 11.004 -0.169 -1.516 1.00 0.00 O ATOM 0 H TYR A 7 5.494 -4.125 -1.590 1.00 0.00 H new ATOM 0 HA TYR A 7 6.769 -3.862 -4.248 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.719 -5.312 -1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.484 -5.437 -3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.379 -3.252 -4.379 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.300 -3.558 -0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.714 -1.257 -3.881 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.635 -1.558 0.231 1.00 0.00 H new ATOM 0 HH TYR A 7 10.947 0.032 -0.559 1.00 0.00 H new ATOM 127 N ASP A 8 6.211 -6.235 -4.915 1.00 0.00 N ATOM 128 CA ASP A 8 5.599 -7.458 -5.420 1.00 0.00 C ATOM 129 C ASP A 8 6.141 -8.681 -4.687 1.00 0.00 C ATOM 130 O ASP A 8 5.475 -9.238 -3.813 1.00 0.00 O ATOM 131 CB ASP A 8 5.848 -7.597 -6.924 1.00 0.00 C ATOM 132 CG ASP A 8 4.878 -6.777 -7.752 1.00 0.00 C ATOM 133 OD1 ASP A 8 3.726 -7.224 -7.932 1.00 0.00 O ATOM 134 OD2 ASP A 8 5.271 -5.688 -8.222 1.00 0.00 O ATOM 0 H ASP A 8 6.910 -5.827 -5.535 1.00 0.00 H new ATOM 0 HA ASP A 8 4.525 -7.397 -5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.868 -7.285 -7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.765 -8.646 -7.207 1.00 0.00 H new ATOM 139 N SER A 9 7.354 -9.098 -5.047 1.00 0.00 N ATOM 140 CA SER A 9 7.988 -10.258 -4.422 1.00 0.00 C ATOM 141 C SER A 9 9.250 -10.664 -5.176 1.00 0.00 C ATOM 142 O SER A 9 10.209 -11.154 -4.580 1.00 0.00 O ATOM 143 CB SER A 9 7.013 -11.439 -4.368 1.00 0.00 C ATOM 144 OG SER A 9 6.333 -11.484 -3.124 1.00 0.00 O ATOM 0 H SER A 9 7.918 -8.649 -5.769 1.00 0.00 H new ATOM 0 HA SER A 9 8.266 -9.979 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.289 -11.354 -5.179 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.557 -12.371 -4.522 1.00 0.00 H new ATOM 0 HG SER A 9 5.916 -10.615 -2.947 1.00 0.00 H new ATOM 150 N ASN A 10 9.243 -10.462 -6.489 1.00 0.00 N ATOM 151 CA ASN A 10 10.388 -10.812 -7.323 1.00 0.00 C ATOM 152 C ASN A 10 11.467 -9.736 -7.249 1.00 0.00 C ATOM 153 O ASN A 10 12.656 -10.026 -7.378 1.00 0.00 O ATOM 154 CB ASN A 10 9.945 -11.010 -8.772 1.00 0.00 C ATOM 155 CG ASN A 10 8.817 -12.015 -8.896 1.00 0.00 C ATOM 156 OD1 ASN A 10 7.963 -12.118 -8.015 1.00 0.00 O ATOM 157 ND2 ASN A 10 8.810 -12.766 -9.991 1.00 0.00 N ATOM 0 H ASN A 10 8.458 -10.058 -6.999 1.00 0.00 H new ATOM 0 HA ASN A 10 10.808 -11.745 -6.948 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.624 -10.054 -9.185 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.795 -11.345 -9.367 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.077 -13.462 -10.127 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.538 -12.647 -10.696 1.00 0.00 H new ATOM 164 N ILE A 11 11.044 -8.496 -7.035 1.00 0.00 N ATOM 165 CA ILE A 11 11.971 -7.375 -6.938 1.00 0.00 C ATOM 166 C ILE A 11 12.407 -7.165 -5.497 1.00 0.00 C ATOM 167 O ILE A 11 13.593 -7.005 -5.208 1.00 0.00 O ATOM 168 CB ILE A 11 11.340 -6.067 -7.454 1.00 0.00 C ATOM 169 CG1 ILE A 11 10.710 -6.275 -8.832 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.386 -4.962 -7.509 1.00 0.00 C ATOM 171 CD1 ILE A 11 9.336 -6.908 -8.784 1.00 0.00 C ATOM 0 H ILE A 11 10.063 -8.241 -6.925 1.00 0.00 H new ATOM 0 HA ILE A 11 12.832 -7.622 -7.559 1.00 0.00 H new ATOM 0 HB ILE A 11 10.553 -5.769 -6.761 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.639 -5.312 -9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.369 -6.903 -9.432 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.927 -4.044 -7.875 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.789 -4.793 -6.511 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.192 -5.257 -8.181 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.953 -7.024 -9.798 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.402 -7.886 -8.307 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.662 -6.271 -8.212 1.00 0.00 H new ATOM 183 N HIS A 12 11.430 -7.165 -4.596 1.00 0.00 N ATOM 184 CA HIS A 12 11.690 -6.976 -3.180 1.00 0.00 C ATOM 185 C HIS A 12 10.685 -7.756 -2.343 1.00 0.00 C ATOM 186 O HIS A 12 9.569 -8.027 -2.787 1.00 0.00 O ATOM 187 CB HIS A 12 11.630 -5.491 -2.827 1.00 0.00 C ATOM 188 CG HIS A 12 12.320 -5.144 -1.543 1.00 0.00 C ATOM 189 ND1 HIS A 12 11.849 -4.507 -0.441 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 13.635 -5.443 -1.276 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 12.866 -4.417 0.505 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 13.916 -4.995 -0.045 1.00 0.00 N flip ATOM 0 H HIS A 12 10.445 -7.295 -4.827 1.00 0.00 H new ATOM 0 HA HIS A 12 12.689 -7.351 -2.959 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.080 -4.917 -3.637 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.586 -5.185 -2.761 1.00 0.00 H new ATOM 0 HD1 HIS A 12 10.900 -4.151 -0.325 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.320 -5.949 -1.940 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.807 -3.967 1.485 1.00 0.00 H new ATOM 200 N LYS A 13 11.087 -8.119 -1.132 1.00 0.00 N ATOM 201 CA LYS A 13 10.219 -8.876 -0.237 1.00 0.00 C ATOM 202 C LYS A 13 9.026 -8.036 0.211 1.00 0.00 C ATOM 203 O LYS A 13 9.117 -6.813 0.315 1.00 0.00 O ATOM 204 CB LYS A 13 11.004 -9.370 0.978 1.00 0.00 C ATOM 205 CG LYS A 13 11.506 -8.254 1.877 1.00 0.00 C ATOM 206 CD LYS A 13 11.871 -8.773 3.258 1.00 0.00 C ATOM 207 CE LYS A 13 10.829 -8.387 4.294 1.00 0.00 C ATOM 208 NZ LYS A 13 9.707 -9.365 4.342 1.00 0.00 N ATOM 0 H LYS A 13 12.006 -7.903 -0.747 1.00 0.00 H new ATOM 0 HA LYS A 13 9.841 -9.739 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.370 -10.037 1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.855 -9.958 0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.377 -7.783 1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.739 -7.485 1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.968 -9.858 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.842 -8.375 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.299 -8.324 5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.438 -7.396 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.025 -9.076 5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.232 -9.394 3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.079 -10.309 4.570 1.00 0.00 H new ATOM 222 N CYS A 14 7.904 -8.704 0.469 1.00 0.00 N ATOM 223 CA CYS A 14 6.688 -8.023 0.903 1.00 0.00 C ATOM 224 C CYS A 14 5.681 -9.013 1.478 1.00 0.00 C ATOM 225 O CYS A 14 4.815 -9.517 0.764 1.00 0.00 O ATOM 226 CB CYS A 14 6.055 -7.269 -0.267 1.00 0.00 C ATOM 227 SG CYS A 14 4.596 -6.280 0.187 1.00 0.00 S ATOM 0 H CYS A 14 7.812 -9.716 0.385 1.00 0.00 H new ATOM 0 HA CYS A 14 6.963 -7.314 1.684 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.803 -6.611 -0.708 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.769 -7.987 -1.036 1.00 0.00 H new ATOM 232 N VAL A 15 5.797 -9.281 2.772 1.00 0.00 N ATOM 233 CA VAL A 15 4.895 -10.208 3.446 1.00 0.00 C ATOM 234 C VAL A 15 3.680 -9.481 4.010 1.00 0.00 C ATOM 235 O VAL A 15 2.606 -10.066 4.159 1.00 0.00 O ATOM 236 CB VAL A 15 5.614 -10.951 4.590 1.00 0.00 C ATOM 237 CG1 VAL A 15 6.729 -11.827 4.041 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.158 -9.960 5.608 1.00 0.00 C ATOM 0 H VAL A 15 6.507 -8.869 3.377 1.00 0.00 H new ATOM 0 HA VAL A 15 4.565 -10.932 2.701 1.00 0.00 H new ATOM 0 HB VAL A 15 4.892 -11.595 5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.225 -12.343 4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.310 -12.560 3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.453 -11.206 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.662 -10.501 6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.866 -9.290 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.336 -9.378 6.025 1.00 0.00 H new ATOM 248 N TYR A 16 3.858 -8.202 4.328 1.00 0.00 N ATOM 249 CA TYR A 16 2.780 -7.394 4.884 1.00 0.00 C ATOM 250 C TYR A 16 1.636 -7.233 3.887 1.00 0.00 C ATOM 251 O TYR A 16 0.472 -7.138 4.277 1.00 0.00 O ATOM 252 CB TYR A 16 3.307 -6.020 5.300 1.00 0.00 C ATOM 253 CG TYR A 16 3.682 -5.939 6.762 1.00 0.00 C ATOM 254 CD1 TYR A 16 2.720 -5.690 7.730 1.00 0.00 C ATOM 255 CD2 TYR A 16 4.998 -6.114 7.172 1.00 0.00 C ATOM 256 CE1 TYR A 16 3.056 -5.619 9.069 1.00 0.00 C ATOM 257 CE2 TYR A 16 5.343 -6.044 8.508 1.00 0.00 C ATOM 258 CZ TYR A 16 4.369 -5.796 9.452 1.00 0.00 C ATOM 259 OH TYR A 16 4.708 -5.724 10.784 1.00 0.00 O ATOM 0 H TYR A 16 4.740 -7.703 4.210 1.00 0.00 H new ATOM 0 HA TYR A 16 2.395 -7.912 5.762 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.180 -5.775 4.695 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.548 -5.268 5.085 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.691 -5.549 7.432 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.763 -6.308 6.435 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.295 -5.426 9.811 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.370 -6.183 8.811 1.00 0.00 H new ATOM 0 HH TYR A 16 5.671 -5.872 10.885 1.00 0.00 H new ATOM 269 N CYS A 17 1.969 -7.201 2.601 1.00 0.00 N ATOM 270 CA CYS A 17 0.956 -7.052 1.564 1.00 0.00 C ATOM 271 C CYS A 17 0.239 -8.373 1.324 1.00 0.00 C ATOM 272 O CYS A 17 -0.989 -8.418 1.242 1.00 0.00 O ATOM 273 CB CYS A 17 1.580 -6.545 0.261 1.00 0.00 C ATOM 274 SG CYS A 17 3.036 -7.487 -0.289 1.00 0.00 S ATOM 0 H CYS A 17 2.925 -7.276 2.254 1.00 0.00 H new ATOM 0 HA CYS A 17 0.228 -6.316 1.906 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.825 -6.574 -0.525 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.865 -5.501 0.391 1.00 0.00 H new ATOM 279 N ASP A 18 1.011 -9.453 1.226 1.00 0.00 N ATOM 280 CA ASP A 18 0.441 -10.780 1.006 1.00 0.00 C ATOM 281 C ASP A 18 -0.682 -11.055 2.003 1.00 0.00 C ATOM 282 O ASP A 18 -1.698 -11.660 1.661 1.00 0.00 O ATOM 283 CB ASP A 18 1.526 -11.853 1.132 1.00 0.00 C ATOM 284 CG ASP A 18 1.314 -13.005 0.168 1.00 0.00 C ATOM 285 OD1 ASP A 18 0.509 -13.905 0.487 1.00 0.00 O ATOM 286 OD2 ASP A 18 1.951 -13.005 -0.905 1.00 0.00 O ATOM 0 H ASP A 18 2.029 -9.436 1.295 1.00 0.00 H new ATOM 0 HA ASP A 18 0.028 -10.811 -0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.501 -11.403 0.947 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.539 -12.235 2.153 1.00 0.00 H new ATOM 291 N ASN A 19 -0.490 -10.596 3.237 1.00 0.00 N ATOM 292 CA ASN A 19 -1.485 -10.783 4.287 1.00 0.00 C ATOM 293 C ASN A 19 -2.727 -9.946 4.008 1.00 0.00 C ATOM 294 O ASN A 19 -3.841 -10.470 3.955 1.00 0.00 O ATOM 295 CB ASN A 19 -0.898 -10.407 5.650 1.00 0.00 C ATOM 296 CG ASN A 19 -0.042 -11.513 6.234 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.404 -12.689 6.177 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.100 -11.142 6.800 1.00 0.00 N ATOM 0 H ASN A 19 0.346 -10.092 3.533 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.770 -11.835 4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.298 -9.503 5.548 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.709 -10.175 6.341 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.717 -11.843 7.210 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.360 -10.156 6.825 1.00 0.00 H new ATOM 305 N ALA A 20 -2.530 -8.643 3.828 1.00 0.00 N ATOM 306 CA ALA A 20 -3.636 -7.732 3.552 1.00 0.00 C ATOM 307 C ALA A 20 -4.481 -8.229 2.385 1.00 0.00 C ATOM 308 O ALA A 20 -5.707 -8.117 2.401 1.00 0.00 O ATOM 309 CB ALA A 20 -3.110 -6.333 3.269 1.00 0.00 C ATOM 0 H ALA A 20 -1.615 -8.195 3.868 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.273 -7.696 4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.946 -5.664 3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.558 -5.970 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.448 -6.361 2.403 1.00 0.00 H new ATOM 315 N LYS A 21 -3.820 -8.788 1.377 1.00 0.00 N ATOM 316 CA LYS A 21 -4.515 -9.311 0.207 1.00 0.00 C ATOM 317 C LYS A 21 -5.518 -10.381 0.621 1.00 0.00 C ATOM 318 O LYS A 21 -6.697 -10.309 0.275 1.00 0.00 O ATOM 319 CB LYS A 21 -3.513 -9.889 -0.794 1.00 0.00 C ATOM 320 CG LYS A 21 -3.874 -9.612 -2.244 1.00 0.00 C ATOM 321 CD LYS A 21 -2.897 -10.280 -3.200 1.00 0.00 C ATOM 322 CE LYS A 21 -1.634 -9.452 -3.372 1.00 0.00 C ATOM 323 NZ LYS A 21 -0.772 -9.977 -4.468 1.00 0.00 N ATOM 0 H LYS A 21 -2.806 -8.890 1.347 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.053 -8.492 -0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.526 -9.474 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.443 -10.967 -0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.883 -9.972 -2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.878 -8.536 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.637 -11.269 -2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.375 -10.423 -4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.904 -8.418 -3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.072 -9.448 -2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.079 -9.386 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.493 -10.955 -4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.299 -9.957 -5.364 1.00 0.00 H new ATOM 337 N ARG A 22 -5.044 -11.366 1.378 1.00 0.00 N ATOM 338 CA ARG A 22 -5.904 -12.442 1.852 1.00 0.00 C ATOM 339 C ARG A 22 -7.016 -11.878 2.729 1.00 0.00 C ATOM 340 O ARG A 22 -8.156 -12.339 2.683 1.00 0.00 O ATOM 341 CB ARG A 22 -5.089 -13.473 2.636 1.00 0.00 C ATOM 342 CG ARG A 22 -4.203 -14.342 1.759 1.00 0.00 C ATOM 343 CD ARG A 22 -4.981 -15.498 1.151 1.00 0.00 C ATOM 344 NE ARG A 22 -4.119 -16.398 0.389 1.00 0.00 N ATOM 345 CZ ARG A 22 -4.520 -17.567 -0.105 1.00 0.00 C ATOM 346 NH1 ARG A 22 -5.768 -17.980 0.077 1.00 0.00 N ATOM 347 NH2 ARG A 22 -3.670 -18.325 -0.785 1.00 0.00 N ATOM 0 H ARG A 22 -4.071 -11.440 1.675 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.350 -12.935 0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.467 -12.954 3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.771 -14.113 3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.770 -13.735 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.374 -14.731 2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.478 -16.057 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.762 -15.106 0.499 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.153 -16.114 0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.426 -17.400 0.598 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.069 -18.877 -0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.710 -18.012 -0.929 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.976 -19.221 -1.164 1.00 0.00 H new ATOM 361 N LEU A 23 -6.672 -10.863 3.518 1.00 0.00 N ATOM 362 CA LEU A 23 -7.635 -10.214 4.399 1.00 0.00 C ATOM 363 C LEU A 23 -8.782 -9.630 3.582 1.00 0.00 C ATOM 364 O LEU A 23 -9.951 -9.916 3.836 1.00 0.00 O ATOM 365 CB LEU A 23 -6.940 -9.111 5.211 1.00 0.00 C ATOM 366 CG LEU A 23 -7.862 -8.048 5.819 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.191 -7.380 7.007 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.242 -7.008 4.774 1.00 0.00 C ATOM 0 H LEU A 23 -5.731 -10.473 3.564 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.042 -10.954 5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.377 -9.580 6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.217 -8.612 4.566 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.771 -8.540 6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.859 -6.628 7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.965 -8.129 7.766 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.266 -6.903 6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.897 -6.262 5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.341 -6.522 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.761 -7.495 3.948 1.00 0.00 H new ATOM 380 N LEU A 24 -8.431 -8.812 2.595 1.00 0.00 N ATOM 381 CA LEU A 24 -9.421 -8.183 1.731 1.00 0.00 C ATOM 382 C LEU A 24 -10.305 -9.235 1.071 1.00 0.00 C ATOM 383 O LEU A 24 -11.526 -9.088 1.015 1.00 0.00 O ATOM 384 CB LEU A 24 -8.725 -7.338 0.664 1.00 0.00 C ATOM 385 CG LEU A 24 -8.168 -6.005 1.164 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.914 -5.629 0.394 1.00 0.00 C ATOM 387 CD2 LEU A 24 -9.215 -4.912 1.040 1.00 0.00 C ATOM 0 H LEU A 24 -7.465 -8.569 2.374 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.051 -7.537 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.908 -7.919 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.432 -7.141 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.906 -6.115 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.532 -4.677 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.158 -6.402 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.152 -5.538 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.802 -3.970 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.507 -4.804 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.089 -5.176 1.635 1.00 0.00 H new ATOM 399 N THR A 25 -9.681 -10.301 0.582 1.00 0.00 N ATOM 400 CA THR A 25 -10.415 -11.383 -0.061 1.00 0.00 C ATOM 401 C THR A 25 -11.409 -11.996 0.918 1.00 0.00 C ATOM 402 O THR A 25 -12.550 -12.293 0.563 1.00 0.00 O ATOM 403 CB THR A 25 -9.449 -12.455 -0.569 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.408 -11.872 -1.331 1.00 0.00 O ATOM 405 CG2 THR A 25 -10.118 -13.504 -1.431 1.00 0.00 C ATOM 0 H THR A 25 -8.671 -10.438 0.619 1.00 0.00 H new ATOM 0 HA THR A 25 -10.961 -10.975 -0.911 1.00 0.00 H new ATOM 0 HB THR A 25 -9.059 -12.939 0.326 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.756 -11.456 -0.729 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.377 -14.233 -1.758 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.894 -14.008 -0.854 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.566 -13.027 -2.303 1.00 0.00 H new ATOM 413 N VAL A 26 -10.965 -12.169 2.160 1.00 0.00 N ATOM 414 CA VAL A 26 -11.806 -12.733 3.208 1.00 0.00 C ATOM 415 C VAL A 26 -12.862 -11.725 3.649 1.00 0.00 C ATOM 416 O VAL A 26 -13.994 -12.091 3.966 1.00 0.00 O ATOM 417 CB VAL A 26 -10.966 -13.154 4.430 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.837 -13.826 5.481 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.828 -14.069 4.006 1.00 0.00 C ATOM 0 H VAL A 26 -10.023 -11.925 2.465 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.295 -13.615 2.795 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.536 -12.256 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.222 -14.114 6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.611 -13.132 5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.303 -14.714 5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.246 -14.356 4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.236 -14.962 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.185 -13.546 3.298 1.00 0.00 H new ATOM 429 N LYS A 27 -12.480 -10.452 3.663 1.00 0.00 N ATOM 430 CA LYS A 27 -13.387 -9.382 4.058 1.00 0.00 C ATOM 431 C LYS A 27 -14.401 -9.086 2.953 1.00 0.00 C ATOM 432 O LYS A 27 -15.390 -8.388 3.178 1.00 0.00 O ATOM 433 CB LYS A 27 -12.594 -8.114 4.391 1.00 0.00 C ATOM 434 CG LYS A 27 -13.132 -7.352 5.592 1.00 0.00 C ATOM 435 CD LYS A 27 -14.113 -6.269 5.171 1.00 0.00 C ATOM 436 CE LYS A 27 -15.126 -5.980 6.267 1.00 0.00 C ATOM 437 NZ LYS A 27 -16.174 -7.034 6.347 1.00 0.00 N ATOM 0 H LYS A 27 -11.545 -10.136 3.404 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.931 -9.709 4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.555 -8.385 4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.598 -7.455 3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.625 -8.046 6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.304 -6.902 6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.568 -5.357 4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.634 -6.580 4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.612 -5.905 7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.596 -5.014 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.917 -6.735 7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.589 -7.183 5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.748 -7.922 6.682 1.00 0.00 H new ATOM 451 N LYS A 28 -14.149 -9.618 1.756 1.00 0.00 N ATOM 452 CA LYS A 28 -15.038 -9.407 0.617 1.00 0.00 C ATOM 453 C LYS A 28 -14.922 -7.977 0.099 1.00 0.00 C ATOM 454 O LYS A 28 -15.923 -7.272 -0.042 1.00 0.00 O ATOM 455 CB LYS A 28 -16.490 -9.712 1.000 1.00 0.00 C ATOM 456 CG LYS A 28 -17.274 -10.416 -0.096 1.00 0.00 C ATOM 457 CD LYS A 28 -17.325 -11.918 0.131 1.00 0.00 C ATOM 458 CE LYS A 28 -16.297 -12.645 -0.722 1.00 0.00 C ATOM 459 NZ LYS A 28 -16.791 -12.884 -2.106 1.00 0.00 N ATOM 0 H LYS A 28 -13.335 -10.198 1.552 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.736 -10.090 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.498 -10.332 1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.994 -8.779 1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.288 -10.018 -0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.816 -10.209 -1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.144 -12.134 1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.323 -12.289 -0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.378 -12.059 -0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.048 -13.598 -0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.061 -13.382 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.653 -13.464 -2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.005 -11.973 -2.560 1.00 0.00 H new ATOM 473 N GLN A 29 -13.694 -7.553 -0.179 1.00 0.00 N ATOM 474 CA GLN A 29 -13.447 -6.206 -0.676 1.00 0.00 C ATOM 475 C GLN A 29 -12.289 -6.187 -1.669 1.00 0.00 C ATOM 476 O GLN A 29 -11.137 -6.394 -1.288 1.00 0.00 O ATOM 477 CB GLN A 29 -13.134 -5.262 0.489 1.00 0.00 C ATOM 478 CG GLN A 29 -14.372 -4.737 1.194 1.00 0.00 C ATOM 479 CD GLN A 29 -15.075 -3.653 0.400 1.00 0.00 C ATOM 480 OE1 GLN A 29 -15.249 -3.772 -0.813 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.482 -2.589 1.082 1.00 0.00 N ATOM 0 H GLN A 29 -12.855 -8.123 -0.068 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.349 -5.870 -1.188 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.509 -5.785 1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.553 -4.418 0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.064 -5.561 1.369 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.091 -4.343 2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.316 -2.533 2.087 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.961 -1.827 0.601 1.00 0.00 H new ATOM 490 N PRO A 30 -12.568 -5.925 -2.959 1.00 0.00 N ATOM 491 CA PRO A 30 -11.527 -5.866 -3.990 1.00 0.00 C ATOM 492 C PRO A 30 -10.367 -4.980 -3.565 1.00 0.00 C ATOM 493 O PRO A 30 -10.400 -4.375 -2.494 1.00 0.00 O ATOM 494 CB PRO A 30 -12.251 -5.236 -5.181 1.00 0.00 C ATOM 495 CG PRO A 30 -13.672 -5.629 -5.003 1.00 0.00 C ATOM 496 CD PRO A 30 -13.909 -5.653 -3.516 1.00 0.00 C ATOM 0 HA PRO A 30 -11.096 -6.845 -4.199 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.137 -4.152 -5.187 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.853 -5.603 -6.127 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.338 -4.919 -5.494 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.866 -6.606 -5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.308 -4.704 -3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.625 -6.426 -3.236 1.00 0.00 H new ATOM 504 N PHE A 31 -9.354 -4.887 -4.413 1.00 0.00 N ATOM 505 CA PHE A 31 -8.206 -4.041 -4.122 1.00 0.00 C ATOM 506 C PHE A 31 -7.374 -3.791 -5.373 1.00 0.00 C ATOM 507 O PHE A 31 -7.575 -4.430 -6.406 1.00 0.00 O ATOM 508 CB PHE A 31 -7.342 -4.661 -3.031 1.00 0.00 C ATOM 509 CG PHE A 31 -7.104 -6.116 -3.246 1.00 0.00 C ATOM 510 CD1 PHE A 31 -8.091 -7.035 -2.952 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.901 -6.562 -3.755 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.885 -8.380 -3.159 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.684 -7.907 -3.967 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.679 -8.821 -3.668 1.00 0.00 C ATOM 0 H PHE A 31 -9.303 -5.383 -5.303 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.584 -3.082 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.384 -4.142 -2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.823 -4.514 -2.064 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.036 -6.695 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.123 -5.851 -3.989 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.665 -9.089 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.739 -8.246 -4.366 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.513 -9.876 -3.832 1.00 0.00 H new ATOM 524 N GLU A 32 -6.423 -2.872 -5.263 1.00 0.00 N ATOM 525 CA GLU A 32 -5.536 -2.544 -6.376 1.00 0.00 C ATOM 526 C GLU A 32 -4.093 -2.416 -5.894 1.00 0.00 C ATOM 527 O GLU A 32 -3.794 -1.599 -5.027 1.00 0.00 O ATOM 528 CB GLU A 32 -5.980 -1.242 -7.047 1.00 0.00 C ATOM 529 CG GLU A 32 -7.143 -1.420 -8.010 1.00 0.00 C ATOM 530 CD GLU A 32 -6.693 -1.834 -9.397 1.00 0.00 C ATOM 531 OE1 GLU A 32 -6.479 -3.044 -9.616 1.00 0.00 O ATOM 532 OE2 GLU A 32 -6.554 -0.946 -10.266 1.00 0.00 O ATOM 0 H GLU A 32 -6.245 -2.338 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.590 -3.353 -7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.263 -0.524 -6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.135 -0.814 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.826 -2.172 -7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.701 -0.486 -8.077 1.00 0.00 H new ATOM 539 N PHE A 33 -3.201 -3.229 -6.450 1.00 0.00 N ATOM 540 CA PHE A 33 -1.801 -3.197 -6.057 1.00 0.00 C ATOM 541 C PHE A 33 -1.002 -2.210 -6.902 1.00 0.00 C ATOM 542 O PHE A 33 -1.346 -1.932 -8.050 1.00 0.00 O ATOM 543 CB PHE A 33 -1.184 -4.587 -6.174 1.00 0.00 C ATOM 544 CG PHE A 33 0.018 -4.753 -5.300 1.00 0.00 C ATOM 545 CD1 PHE A 33 -0.113 -4.710 -3.927 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.275 -4.934 -5.849 1.00 0.00 C ATOM 547 CE1 PHE A 33 0.991 -4.842 -3.107 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.385 -5.070 -5.036 1.00 0.00 C ATOM 549 CZ PHE A 33 2.242 -5.022 -3.663 1.00 0.00 C ATOM 0 H PHE A 33 -3.423 -3.915 -7.171 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.762 -2.867 -5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.930 -5.336 -5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.904 -4.771 -7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.090 -4.572 -3.488 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.390 -4.969 -6.922 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.876 -4.804 -2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.362 -5.213 -5.474 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.107 -5.125 -3.025 1.00 0.00 H new ATOM 559 N ILE A 34 0.075 -1.690 -6.317 1.00 0.00 N ATOM 560 CA ILE A 34 0.948 -0.742 -6.997 1.00 0.00 C ATOM 561 C ILE A 34 2.374 -0.872 -6.484 1.00 0.00 C ATOM 562 O ILE A 34 2.625 -0.810 -5.280 1.00 0.00 O ATOM 563 CB ILE A 34 0.487 0.712 -6.804 1.00 0.00 C ATOM 564 CG1 ILE A 34 -1.008 0.843 -7.091 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.286 1.643 -7.703 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.580 2.176 -6.677 1.00 0.00 C ATOM 0 H ILE A 34 0.364 -1.913 -5.365 1.00 0.00 H new ATOM 0 HA ILE A 34 0.904 -0.982 -8.059 1.00 0.00 H new ATOM 0 HB ILE A 34 0.663 0.996 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.180 0.697 -8.157 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.542 0.049 -6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.949 2.669 -7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.345 1.570 -7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.138 1.358 -8.745 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.645 2.203 -6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.438 2.316 -5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.071 2.974 -7.218 1.00 0.00 H new ATOM 578 N ASN A 35 3.298 -1.059 -7.408 1.00 0.00 N ATOM 579 CA ASN A 35 4.708 -1.206 -7.067 1.00 0.00 C ATOM 580 C ASN A 35 5.426 0.138 -7.112 1.00 0.00 C ATOM 581 O ASN A 35 5.328 0.874 -8.095 1.00 0.00 O ATOM 582 CB ASN A 35 5.386 -2.193 -8.018 1.00 0.00 C ATOM 583 CG ASN A 35 5.106 -1.881 -9.475 1.00 0.00 C ATOM 584 OD1 ASN A 35 4.009 -2.420 -9.996 1.00 0.00 O flip ATOM 585 ND2 ASN A 35 5.867 -1.166 -10.127 1.00 0.00 N flip ATOM 0 H ASN A 35 3.100 -1.113 -8.407 1.00 0.00 H new ATOM 0 HA ASN A 35 4.768 -1.593 -6.050 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.462 -2.177 -7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.043 -3.203 -7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.699 -0.772 -9.687 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.666 -0.967 -11.107 1.00 0.00 H new ATOM 592 N ILE A 36 6.148 0.451 -6.041 1.00 0.00 N ATOM 593 CA ILE A 36 6.887 1.704 -5.956 1.00 0.00 C ATOM 594 C ILE A 36 8.281 1.567 -6.563 1.00 0.00 C ATOM 595 O ILE A 36 8.916 2.562 -6.915 1.00 0.00 O ATOM 596 CB ILE A 36 7.017 2.182 -4.496 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.759 1.140 -3.654 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.641 2.465 -3.908 1.00 0.00 C ATOM 599 CD1 ILE A 36 9.185 1.529 -3.331 1.00 0.00 C ATOM 0 H ILE A 36 6.237 -0.147 -5.219 1.00 0.00 H new ATOM 0 HA ILE A 36 6.321 2.443 -6.523 1.00 0.00 H new ATOM 0 HB ILE A 36 7.595 3.106 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.214 0.982 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.762 0.189 -4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.748 2.802 -2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.148 3.241 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.041 1.555 -3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.649 0.745 -2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.745 1.659 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.189 2.464 -2.770 1.00 0.00 H new ATOM 611 N MET A 37 8.753 0.328 -6.687 1.00 0.00 N ATOM 612 CA MET A 37 10.069 0.068 -7.256 1.00 0.00 C ATOM 613 C MET A 37 9.967 -0.892 -8.440 1.00 0.00 C ATOM 614 O MET A 37 9.954 -2.110 -8.262 1.00 0.00 O ATOM 615 CB MET A 37 11.007 -0.513 -6.195 1.00 0.00 C ATOM 616 CG MET A 37 12.378 -0.883 -6.735 1.00 0.00 C ATOM 617 SD MET A 37 13.721 -0.433 -5.619 1.00 0.00 S ATOM 618 CE MET A 37 13.131 -1.135 -4.081 1.00 0.00 C ATOM 0 H MET A 37 8.243 -0.508 -6.401 1.00 0.00 H new ATOM 0 HA MET A 37 10.477 1.015 -7.608 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.126 0.212 -5.390 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.545 -1.399 -5.760 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.412 -1.957 -6.920 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.530 -0.389 -7.695 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.980 -1.377 -3.442 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.489 -0.414 -3.574 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.564 -2.042 -4.289 1.00 0.00 H new ATOM 628 N PRO A 38 9.887 -0.354 -9.671 1.00 0.00 N ATOM 629 CA PRO A 38 9.782 -1.174 -10.882 1.00 0.00 C ATOM 630 C PRO A 38 11.089 -1.887 -11.225 1.00 0.00 C ATOM 631 O PRO A 38 11.105 -2.810 -12.040 1.00 0.00 O ATOM 632 CB PRO A 38 9.430 -0.155 -11.967 1.00 0.00 C ATOM 633 CG PRO A 38 10.001 1.130 -11.477 1.00 0.00 C ATOM 634 CD PRO A 38 9.888 1.090 -9.977 1.00 0.00 C ATOM 0 HA PRO A 38 9.049 -1.972 -10.768 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.858 -0.437 -12.929 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.351 -0.082 -12.107 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.040 1.238 -11.787 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.456 1.980 -11.887 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.723 1.601 -9.498 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.975 1.575 -9.630 1.00 0.00 H new ATOM 642 N GLU A 39 12.182 -1.456 -10.603 1.00 0.00 N ATOM 643 CA GLU A 39 13.487 -2.059 -10.849 1.00 0.00 C ATOM 644 C GLU A 39 14.275 -2.194 -9.552 1.00 0.00 C ATOM 645 O GLU A 39 14.225 -1.319 -8.690 1.00 0.00 O ATOM 646 CB GLU A 39 14.277 -1.222 -11.856 1.00 0.00 C ATOM 647 CG GLU A 39 14.369 0.248 -11.485 1.00 0.00 C ATOM 648 CD GLU A 39 15.601 0.919 -12.061 1.00 0.00 C ATOM 649 OE1 GLU A 39 16.676 0.827 -11.432 1.00 0.00 O ATOM 650 OE2 GLU A 39 15.490 1.537 -13.140 1.00 0.00 O ATOM 0 H GLU A 39 12.190 -0.693 -9.926 1.00 0.00 H new ATOM 0 HA GLU A 39 13.328 -3.055 -11.262 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.284 -1.630 -11.944 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.810 -1.312 -12.837 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.478 0.765 -11.841 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.381 0.345 -10.399 1.00 0.00 H new ATOM 657 N LYS A 40 15.011 -3.295 -9.420 1.00 0.00 N ATOM 658 CA LYS A 40 15.809 -3.539 -8.221 1.00 0.00 C ATOM 659 C LYS A 40 16.927 -2.521 -8.068 1.00 0.00 C ATOM 660 O LYS A 40 17.595 -2.457 -7.036 1.00 0.00 O ATOM 661 CB LYS A 40 16.378 -4.959 -8.227 1.00 0.00 C ATOM 662 CG LYS A 40 16.944 -5.393 -6.885 1.00 0.00 C ATOM 663 CD LYS A 40 17.311 -6.867 -6.886 1.00 0.00 C ATOM 664 CE LYS A 40 18.475 -7.153 -5.952 1.00 0.00 C ATOM 665 NZ LYS A 40 18.472 -8.564 -5.475 1.00 0.00 N ATOM 0 H LYS A 40 15.071 -4.030 -10.125 1.00 0.00 H new ATOM 0 HA LYS A 40 15.144 -3.431 -7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.593 -5.655 -8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.162 -5.024 -8.981 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.827 -4.797 -6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.212 -5.200 -6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.447 -7.458 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.571 -7.177 -7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.413 -6.946 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 40 18.427 -6.480 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.282 -8.718 -4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.588 -8.755 -4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.544 -9.206 -6.290 1.00 0.00 H new ATOM 679 N GLY A 41 17.107 -1.726 -9.095 1.00 0.00 N ATOM 680 CA GLY A 41 18.132 -0.700 -9.086 1.00 0.00 C ATOM 681 C GLY A 41 17.686 0.548 -8.350 1.00 0.00 C ATOM 682 O GLY A 41 18.297 0.946 -7.358 1.00 0.00 O ATOM 0 H GLY A 41 16.557 -1.767 -9.953 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.034 -1.094 -8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.393 -0.441 -10.112 1.00 0.00 H new ATOM 686 N VAL A 42 16.612 1.163 -8.835 1.00 0.00 N ATOM 687 CA VAL A 42 16.081 2.372 -8.218 1.00 0.00 C ATOM 688 C VAL A 42 14.575 2.474 -8.416 1.00 0.00 C ATOM 689 O VAL A 42 14.077 2.338 -9.534 1.00 0.00 O ATOM 690 CB VAL A 42 16.747 3.637 -8.792 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.414 4.851 -7.940 1.00 0.00 C ATOM 692 CG2 VAL A 42 18.253 3.450 -8.900 1.00 0.00 C ATOM 0 H VAL A 42 16.093 0.844 -9.653 1.00 0.00 H new ATOM 0 HA VAL A 42 16.303 2.305 -7.153 1.00 0.00 H new ATOM 0 HB VAL A 42 16.353 3.806 -9.794 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.894 5.734 -8.362 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.334 4.998 -7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.775 4.692 -6.924 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.704 4.355 -9.308 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.667 3.252 -7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.469 2.609 -9.559 1.00 0.00 H new ATOM 702 N PHE A 43 13.850 2.715 -7.329 1.00 0.00 N ATOM 703 CA PHE A 43 12.394 2.832 -7.401 1.00 0.00 C ATOM 704 C PHE A 43 11.984 3.959 -8.344 1.00 0.00 C ATOM 705 O PHE A 43 12.817 4.749 -8.785 1.00 0.00 O ATOM 706 CB PHE A 43 11.775 3.069 -6.016 1.00 0.00 C ATOM 707 CG PHE A 43 12.706 3.694 -5.019 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.895 5.066 -4.989 1.00 0.00 C ATOM 709 CD2 PHE A 43 13.390 2.906 -4.112 1.00 0.00 C ATOM 710 CE1 PHE A 43 13.750 5.641 -4.070 1.00 0.00 C ATOM 711 CE2 PHE A 43 14.248 3.473 -3.188 1.00 0.00 C ATOM 712 CZ PHE A 43 14.428 4.843 -3.168 1.00 0.00 C ATOM 0 H PHE A 43 14.240 2.833 -6.394 1.00 0.00 H new ATOM 0 HA PHE A 43 12.017 1.886 -7.789 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.899 3.708 -6.128 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.425 2.116 -5.620 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.367 5.693 -5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 43 13.252 1.835 -4.125 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.889 6.712 -4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.776 2.847 -2.484 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.098 5.290 -2.448 1.00 0.00 H new ATOM 722 N ASP A 44 10.691 4.020 -8.653 1.00 0.00 N ATOM 723 CA ASP A 44 10.165 5.043 -9.551 1.00 0.00 C ATOM 724 C ASP A 44 9.873 6.339 -8.798 1.00 0.00 C ATOM 725 O ASP A 44 8.789 6.516 -8.243 1.00 0.00 O ATOM 726 CB ASP A 44 8.895 4.540 -10.238 1.00 0.00 C ATOM 727 CG ASP A 44 8.786 5.020 -11.672 1.00 0.00 C ATOM 728 OD1 ASP A 44 9.475 4.448 -12.543 1.00 0.00 O ATOM 729 OD2 ASP A 44 8.015 5.970 -11.924 1.00 0.00 O ATOM 0 H ASP A 44 9.989 3.373 -8.294 1.00 0.00 H new ATOM 0 HA ASP A 44 10.923 5.251 -10.306 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.883 3.450 -10.220 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.023 4.878 -9.677 1.00 0.00 H new ATOM 734 N ASP A 45 10.847 7.246 -8.790 1.00 0.00 N ATOM 735 CA ASP A 45 10.704 8.531 -8.108 1.00 0.00 C ATOM 736 C ASP A 45 9.433 9.266 -8.537 1.00 0.00 C ATOM 737 O ASP A 45 8.936 10.130 -7.814 1.00 0.00 O ATOM 738 CB ASP A 45 11.925 9.412 -8.382 1.00 0.00 C ATOM 739 CG ASP A 45 13.152 8.955 -7.619 1.00 0.00 C ATOM 740 OD1 ASP A 45 13.824 8.010 -8.085 1.00 0.00 O ATOM 741 OD2 ASP A 45 13.441 9.541 -6.555 1.00 0.00 O ATOM 0 H ASP A 45 11.748 7.114 -9.250 1.00 0.00 H new ATOM 0 HA ASP A 45 10.629 8.327 -7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.142 9.405 -9.450 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.694 10.442 -8.110 1.00 0.00 H new ATOM 746 N GLU A 46 8.912 8.925 -9.712 1.00 0.00 N ATOM 747 CA GLU A 46 7.703 9.564 -10.224 1.00 0.00 C ATOM 748 C GLU A 46 6.558 9.442 -9.224 1.00 0.00 C ATOM 749 O GLU A 46 5.904 10.432 -8.888 1.00 0.00 O ATOM 750 CB GLU A 46 7.296 8.941 -11.560 1.00 0.00 C ATOM 751 CG GLU A 46 6.104 9.623 -12.211 1.00 0.00 C ATOM 752 CD GLU A 46 6.240 9.721 -13.718 1.00 0.00 C ATOM 753 OE1 GLU A 46 7.313 10.154 -14.191 1.00 0.00 O ATOM 754 OE2 GLU A 46 5.274 9.367 -14.426 1.00 0.00 O ATOM 0 H GLU A 46 9.306 8.212 -10.326 1.00 0.00 H new ATOM 0 HA GLU A 46 7.919 10.622 -10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.144 8.980 -12.243 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.061 7.888 -11.404 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.196 9.071 -11.967 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.990 10.624 -11.794 1.00 0.00 H new ATOM 761 N LYS A 47 6.322 8.225 -8.750 1.00 0.00 N ATOM 762 CA LYS A 47 5.258 7.981 -7.784 1.00 0.00 C ATOM 763 C LYS A 47 5.664 8.480 -6.403 1.00 0.00 C ATOM 764 O LYS A 47 4.859 9.069 -5.687 1.00 0.00 O ATOM 765 CB LYS A 47 4.911 6.492 -7.722 1.00 0.00 C ATOM 766 CG LYS A 47 4.273 5.961 -8.995 1.00 0.00 C ATOM 767 CD LYS A 47 5.275 5.891 -10.135 1.00 0.00 C ATOM 768 CE LYS A 47 4.947 4.760 -11.097 1.00 0.00 C ATOM 769 NZ LYS A 47 5.429 3.444 -10.592 1.00 0.00 N ATOM 0 H LYS A 47 6.851 7.395 -9.017 1.00 0.00 H new ATOM 0 HA LYS A 47 4.375 8.530 -8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.819 5.924 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.232 6.320 -6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.861 4.969 -8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.440 6.603 -9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.281 6.838 -10.674 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.277 5.748 -9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.869 4.717 -11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.401 4.965 -12.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.436 2.755 -11.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.392 3.549 -10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.796 3.108 -9.838 1.00 0.00 H new ATOM 783 N ILE A 48 6.919 8.250 -6.039 1.00 0.00 N ATOM 784 CA ILE A 48 7.427 8.687 -4.743 1.00 0.00 C ATOM 785 C ILE A 48 7.154 10.174 -4.528 1.00 0.00 C ATOM 786 O ILE A 48 6.962 10.622 -3.398 1.00 0.00 O ATOM 787 CB ILE A 48 8.944 8.405 -4.614 1.00 0.00 C ATOM 788 CG1 ILE A 48 9.184 6.916 -4.358 1.00 0.00 C ATOM 789 CG2 ILE A 48 9.568 9.238 -3.501 1.00 0.00 C ATOM 790 CD1 ILE A 48 9.324 6.099 -5.624 1.00 0.00 C ATOM 0 H ILE A 48 7.603 7.765 -6.620 1.00 0.00 H new ATOM 0 HA ILE A 48 6.903 8.118 -3.975 1.00 0.00 H new ATOM 0 HB ILE A 48 9.421 8.687 -5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.087 6.800 -3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.357 6.519 -3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.633 9.018 -3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.429 10.297 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.088 8.996 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.492 5.053 -5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.412 6.185 -6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.169 6.470 -6.205 1.00 0.00 H new ATOM 802 N ALA A 49 7.129 10.931 -5.618 1.00 0.00 N ATOM 803 CA ALA A 49 6.871 12.365 -5.547 1.00 0.00 C ATOM 804 C ALA A 49 5.386 12.636 -5.335 1.00 0.00 C ATOM 805 O ALA A 49 4.992 13.274 -4.355 1.00 0.00 O ATOM 806 CB ALA A 49 7.360 13.052 -6.813 1.00 0.00 C ATOM 0 H ALA A 49 7.284 10.577 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 49 7.417 12.771 -4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.161 14.122 -6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.432 12.888 -6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.838 12.639 -7.676 1.00 0.00 H new ATOM 812 N GLU A 50 4.562 12.138 -6.252 1.00 0.00 N ATOM 813 CA GLU A 50 3.120 12.325 -6.154 1.00 0.00 C ATOM 814 C GLU A 50 2.591 11.690 -4.874 1.00 0.00 C ATOM 815 O GLU A 50 1.612 12.158 -4.293 1.00 0.00 O ATOM 816 CB GLU A 50 2.412 11.731 -7.378 1.00 0.00 C ATOM 817 CG GLU A 50 2.386 10.211 -7.401 1.00 0.00 C ATOM 818 CD GLU A 50 2.145 9.654 -8.789 1.00 0.00 C ATOM 819 OE1 GLU A 50 3.065 9.734 -9.631 1.00 0.00 O ATOM 820 OE2 GLU A 50 1.035 9.136 -9.037 1.00 0.00 O ATOM 0 H GLU A 50 4.867 11.605 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 50 2.913 13.395 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.388 12.102 -7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.907 12.089 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.333 9.829 -7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.605 9.854 -6.730 1.00 0.00 H new ATOM 827 N LEU A 51 3.264 10.633 -4.427 1.00 0.00 N ATOM 828 CA LEU A 51 2.879 9.938 -3.209 1.00 0.00 C ATOM 829 C LEU A 51 2.969 10.884 -2.021 1.00 0.00 C ATOM 830 O LEU A 51 1.978 11.121 -1.333 1.00 0.00 O ATOM 831 CB LEU A 51 3.784 8.722 -2.996 1.00 0.00 C ATOM 832 CG LEU A 51 3.315 7.701 -1.949 1.00 0.00 C ATOM 833 CD1 LEU A 51 4.203 7.751 -0.720 1.00 0.00 C ATOM 834 CD2 LEU A 51 1.855 7.917 -1.568 1.00 0.00 C ATOM 0 H LEU A 51 4.081 10.240 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 51 1.849 9.594 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.896 8.207 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.773 9.078 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 51 3.394 6.710 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.855 7.021 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.230 7.520 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.163 8.749 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.559 7.176 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.732 8.917 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.229 7.813 -2.454 1.00 0.00 H new ATOM 846 N LEU A 52 4.162 11.440 -1.801 1.00 0.00 N ATOM 847 CA LEU A 52 4.393 12.381 -0.716 1.00 0.00 C ATOM 848 C LEU A 52 3.254 13.380 -0.613 1.00 0.00 C ATOM 849 O LEU A 52 2.732 13.646 0.470 1.00 0.00 O ATOM 850 CB LEU A 52 5.697 13.092 -0.950 1.00 0.00 C ATOM 851 CG LEU A 52 6.897 12.205 -0.694 1.00 0.00 C ATOM 852 CD1 LEU A 52 8.141 12.924 -1.101 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.957 11.795 0.766 1.00 0.00 C ATOM 0 H LEU A 52 4.987 11.249 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 52 4.440 11.834 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.730 13.454 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.751 13.967 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 52 6.806 11.295 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.006 12.287 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.089 13.169 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.237 13.842 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.826 11.158 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.036 12.685 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.052 11.247 1.028 1.00 0.00 H new ATOM 865 N THR A 53 2.862 13.909 -1.764 1.00 0.00 N ATOM 866 CA THR A 53 1.765 14.867 -1.832 1.00 0.00 C ATOM 867 C THR A 53 0.437 14.171 -1.549 1.00 0.00 C ATOM 868 O THR A 53 -0.481 14.764 -0.982 1.00 0.00 O ATOM 869 CB THR A 53 1.725 15.531 -3.210 1.00 0.00 C ATOM 870 OG1 THR A 53 2.957 16.168 -3.496 1.00 0.00 O ATOM 871 CG2 THR A 53 0.631 16.569 -3.343 1.00 0.00 C ATOM 0 H THR A 53 3.287 13.691 -2.665 1.00 0.00 H new ATOM 0 HA THR A 53 1.928 15.635 -1.076 1.00 0.00 H new ATOM 0 HB THR A 53 1.525 14.723 -3.914 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.912 16.585 -4.382 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.659 17.001 -4.344 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.338 16.099 -3.177 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.784 17.356 -2.604 1.00 0.00 H new ATOM 879 N LYS A 54 0.350 12.905 -1.948 1.00 0.00 N ATOM 880 CA LYS A 54 -0.856 12.110 -1.744 1.00 0.00 C ATOM 881 C LYS A 54 -1.127 11.883 -0.258 1.00 0.00 C ATOM 882 O LYS A 54 -2.277 11.922 0.182 1.00 0.00 O ATOM 883 CB LYS A 54 -0.732 10.763 -2.469 1.00 0.00 C ATOM 884 CG LYS A 54 -1.645 10.638 -3.678 1.00 0.00 C ATOM 885 CD LYS A 54 -2.914 9.870 -3.343 1.00 0.00 C ATOM 886 CE LYS A 54 -3.323 8.947 -4.480 1.00 0.00 C ATOM 887 NZ LYS A 54 -4.022 9.684 -5.569 1.00 0.00 N ATOM 0 H LYS A 54 1.106 12.406 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.697 12.665 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.301 10.625 -2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.959 9.960 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.906 11.632 -4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.115 10.132 -4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.758 9.285 -2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.721 10.572 -3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.438 8.455 -4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.976 8.164 -4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.284 9.020 -6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.880 10.133 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.391 10.415 -5.954 1.00 0.00 H new ATOM 901 N LEU A 55 -0.069 11.636 0.512 1.00 0.00 N ATOM 902 CA LEU A 55 -0.214 11.397 1.945 1.00 0.00 C ATOM 903 C LEU A 55 -0.856 12.595 2.635 1.00 0.00 C ATOM 904 O LEU A 55 -1.960 12.498 3.172 1.00 0.00 O ATOM 905 CB LEU A 55 1.138 11.099 2.584 1.00 0.00 C ATOM 906 CG LEU A 55 1.830 9.853 2.041 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.850 10.240 0.995 1.00 0.00 C ATOM 908 CD2 LEU A 55 2.487 9.066 3.157 1.00 0.00 C ATOM 0 H LEU A 55 0.891 11.596 0.170 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.863 10.530 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.793 11.957 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.001 10.984 3.659 1.00 0.00 H new ATOM 0 HG LEU A 55 1.076 9.215 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.338 9.343 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.352 10.758 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.596 10.898 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.973 8.183 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.230 9.690 3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.731 8.758 3.879 1.00 0.00 H new ATOM 920 N GLY A 56 -0.156 13.723 2.615 1.00 0.00 N ATOM 921 CA GLY A 56 -0.666 14.928 3.240 1.00 0.00 C ATOM 922 C GLY A 56 0.383 16.019 3.323 1.00 0.00 C ATOM 923 O GLY A 56 0.124 17.168 2.967 1.00 0.00 O ATOM 0 H GLY A 56 0.759 13.824 2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.523 15.293 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.022 14.692 4.243 1.00 0.00 H new ATOM 927 N ARG A 57 1.572 15.656 3.795 1.00 0.00 N ATOM 928 CA ARG A 57 2.670 16.608 3.927 1.00 0.00 C ATOM 929 C ARG A 57 3.640 16.485 2.755 1.00 0.00 C ATOM 930 O ARG A 57 3.322 15.873 1.735 1.00 0.00 O ATOM 931 CB ARG A 57 3.409 16.380 5.248 1.00 0.00 C ATOM 932 CG ARG A 57 3.761 17.665 5.977 1.00 0.00 C ATOM 933 CD ARG A 57 4.906 17.454 6.956 1.00 0.00 C ATOM 934 NE ARG A 57 4.431 17.317 8.331 1.00 0.00 N ATOM 935 CZ ARG A 57 5.206 17.472 9.402 1.00 0.00 C ATOM 936 NH1 ARG A 57 6.492 17.770 9.261 1.00 0.00 N ATOM 937 NH2 ARG A 57 4.694 17.330 10.617 1.00 0.00 N ATOM 0 H ARG A 57 1.800 14.707 4.093 1.00 0.00 H new ATOM 0 HA ARG A 57 2.252 17.615 3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.791 15.761 5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.324 15.821 5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.036 18.432 5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.886 18.032 6.513 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.464 16.561 6.674 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.597 18.295 6.893 1.00 0.00 H new ATOM 0 HE ARG A 57 3.448 17.089 8.479 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.890 17.881 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.082 17.888 10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.706 17.102 10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.288 17.449 11.438 1.00 0.00 H new ATOM 951 N ASP A 58 4.825 17.069 2.907 1.00 0.00 N ATOM 952 CA ASP A 58 5.840 17.023 1.861 1.00 0.00 C ATOM 953 C ASP A 58 6.956 16.049 2.227 1.00 0.00 C ATOM 954 O ASP A 58 7.574 15.442 1.354 1.00 0.00 O ATOM 955 CB ASP A 58 6.421 18.417 1.623 1.00 0.00 C ATOM 956 CG ASP A 58 6.858 18.625 0.185 1.00 0.00 C ATOM 957 OD1 ASP A 58 7.575 17.751 -0.348 1.00 0.00 O ATOM 958 OD2 ASP A 58 6.484 19.659 -0.406 1.00 0.00 O ATOM 0 H ASP A 58 5.105 17.579 3.744 1.00 0.00 H new ATOM 0 HA ASP A 58 5.365 16.674 0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.676 19.168 1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.274 18.570 2.285 1.00 0.00 H new ATOM 963 N THR A 59 7.210 15.908 3.524 1.00 0.00 N ATOM 964 CA THR A 59 8.252 15.008 4.006 1.00 0.00 C ATOM 965 C THR A 59 7.665 13.654 4.389 1.00 0.00 C ATOM 966 O THR A 59 6.448 13.496 4.479 1.00 0.00 O ATOM 967 CB THR A 59 8.970 15.624 5.208 1.00 0.00 C ATOM 968 OG1 THR A 59 10.006 14.773 5.662 1.00 0.00 O ATOM 969 CG2 THR A 59 8.052 15.896 6.380 1.00 0.00 C ATOM 0 H THR A 59 6.709 16.405 4.260 1.00 0.00 H new ATOM 0 HA THR A 59 8.970 14.858 3.200 1.00 0.00 H new ATOM 0 HB THR A 59 9.367 16.574 4.851 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.455 15.185 6.430 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.626 16.332 7.198 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.269 16.590 6.075 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.600 14.962 6.712 1.00 0.00 H new ATOM 977 N GLN A 60 8.540 12.679 4.616 1.00 0.00 N ATOM 978 CA GLN A 60 8.111 11.335 4.992 1.00 0.00 C ATOM 979 C GLN A 60 8.558 11.002 6.410 1.00 0.00 C ATOM 980 O GLN A 60 9.708 10.630 6.642 1.00 0.00 O ATOM 981 CB GLN A 60 8.673 10.301 4.017 1.00 0.00 C ATOM 982 CG GLN A 60 10.117 10.558 3.618 1.00 0.00 C ATOM 983 CD GLN A 60 10.236 11.509 2.443 1.00 0.00 C ATOM 984 OE1 GLN A 60 10.199 12.728 2.610 1.00 0.00 O ATOM 985 NE2 GLN A 60 10.376 10.955 1.245 1.00 0.00 N ATOM 0 H GLN A 60 9.551 12.794 4.546 1.00 0.00 H new ATOM 0 HA GLN A 60 7.022 11.306 4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.601 9.312 4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.054 10.287 3.120 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.658 10.970 4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.594 9.611 3.364 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.402 9.940 1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.458 11.545 0.417 1.00 0.00 H new ATOM 994 N ILE A 61 7.635 11.132 7.354 1.00 0.00 N ATOM 995 CA ILE A 61 7.922 10.846 8.755 1.00 0.00 C ATOM 996 C ILE A 61 7.900 9.346 9.023 1.00 0.00 C ATOM 997 O ILE A 61 6.886 8.796 9.449 1.00 0.00 O ATOM 998 CB ILE A 61 6.908 11.535 9.688 1.00 0.00 C ATOM 999 CG1 ILE A 61 6.753 13.008 9.308 1.00 0.00 C ATOM 1000 CG2 ILE A 61 7.345 11.399 11.139 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.736 13.746 10.151 1.00 0.00 C ATOM 0 H ILE A 61 6.678 11.435 7.175 1.00 0.00 H new ATOM 0 HA ILE A 61 8.919 11.237 8.960 1.00 0.00 H new ATOM 0 HB ILE A 61 5.941 11.046 9.574 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.719 13.503 9.403 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.462 13.076 8.260 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.618 11.891 11.785 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.409 10.343 11.402 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.321 11.865 11.270 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.679 14.785 9.826 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.759 13.276 10.037 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.036 13.710 11.198 1.00 0.00 H new ATOM 1013 N GLY A 62 9.026 8.690 8.768 1.00 0.00 N ATOM 1014 CA GLY A 62 9.114 7.259 8.985 1.00 0.00 C ATOM 1015 C GLY A 62 8.151 6.484 8.109 1.00 0.00 C ATOM 1016 O GLY A 62 7.728 5.383 8.461 1.00 0.00 O ATOM 0 H GLY A 62 9.879 9.124 8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.132 6.925 8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.906 7.039 10.032 1.00 0.00 H new ATOM 1020 N LEU A 63 7.799 7.067 6.967 1.00 0.00 N ATOM 1021 CA LEU A 63 6.878 6.428 6.035 1.00 0.00 C ATOM 1022 C LEU A 63 7.451 5.113 5.515 1.00 0.00 C ATOM 1023 O LEU A 63 8.559 5.074 4.979 1.00 0.00 O ATOM 1024 CB LEU A 63 6.569 7.368 4.867 1.00 0.00 C ATOM 1025 CG LEU A 63 5.082 7.568 4.571 1.00 0.00 C ATOM 1026 CD1 LEU A 63 4.386 6.227 4.404 1.00 0.00 C ATOM 1027 CD2 LEU A 63 4.424 8.378 5.678 1.00 0.00 C ATOM 0 H LEU A 63 8.138 7.981 6.665 1.00 0.00 H new ATOM 0 HA LEU A 63 5.953 6.209 6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.016 8.340 5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.053 6.980 3.971 1.00 0.00 H new ATOM 0 HG LEU A 63 4.988 8.121 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.329 6.389 4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.841 5.682 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.489 5.647 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.366 8.511 5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.529 7.851 6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.905 9.353 5.750 1.00 0.00 H new ATOM 1039 N THR A 64 6.686 4.039 5.677 1.00 0.00 N ATOM 1040 CA THR A 64 7.114 2.722 5.226 1.00 0.00 C ATOM 1041 C THR A 64 6.046 2.069 4.355 1.00 0.00 C ATOM 1042 O THR A 64 4.923 2.560 4.261 1.00 0.00 O ATOM 1043 CB THR A 64 7.429 1.827 6.425 1.00 0.00 C ATOM 1044 OG1 THR A 64 6.246 1.507 7.135 1.00 0.00 O ATOM 1045 CG2 THR A 64 8.397 2.454 7.403 1.00 0.00 C ATOM 0 H THR A 64 5.766 4.056 6.118 1.00 0.00 H new ATOM 0 HA THR A 64 8.016 2.847 4.628 1.00 0.00 H new ATOM 0 HB THR A 64 7.892 0.934 6.005 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.467 0.932 7.897 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.577 1.766 8.229 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.339 2.667 6.897 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.975 3.382 7.789 1.00 0.00 H new ATOM 1053 N MET A 65 6.406 0.958 3.723 1.00 0.00 N ATOM 1054 CA MET A 65 5.480 0.233 2.863 1.00 0.00 C ATOM 1055 C MET A 65 5.019 -1.057 3.532 1.00 0.00 C ATOM 1056 O MET A 65 5.676 -1.558 4.445 1.00 0.00 O ATOM 1057 CB MET A 65 6.139 -0.076 1.518 1.00 0.00 C ATOM 1058 CG MET A 65 6.135 1.101 0.555 1.00 0.00 C ATOM 1059 SD MET A 65 7.734 1.932 0.466 1.00 0.00 S ATOM 1060 CE MET A 65 7.601 3.069 1.843 1.00 0.00 C ATOM 0 H MET A 65 7.334 0.540 3.790 1.00 0.00 H new ATOM 0 HA MET A 65 4.607 0.862 2.692 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.168 -0.390 1.691 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.623 -0.916 1.054 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.856 0.751 -0.439 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.375 1.817 0.866 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.004 4.040 1.554 1.00 0.00 H new ATOM 0 HE2 MET A 65 6.554 3.180 2.123 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.164 2.681 2.691 1.00 0.00 H new ATOM 1070 N PRO A 66 3.875 -1.612 3.095 1.00 0.00 N ATOM 1071 CA PRO A 66 3.051 -1.064 2.016 1.00 0.00 C ATOM 1072 C PRO A 66 2.084 0.019 2.496 1.00 0.00 C ATOM 1073 O PRO A 66 1.539 -0.063 3.596 1.00 0.00 O ATOM 1074 CB PRO A 66 2.264 -2.287 1.515 1.00 0.00 C ATOM 1075 CG PRO A 66 2.711 -3.437 2.361 1.00 0.00 C ATOM 1076 CD PRO A 66 3.286 -2.842 3.610 1.00 0.00 C ATOM 0 HA PRO A 66 3.662 -0.579 1.254 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.190 -2.126 1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.466 -2.476 0.461 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.875 -4.096 2.594 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.455 -4.038 1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.522 -2.648 4.363 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.029 -3.492 4.071 1.00 0.00 H new ATOM 1084 N GLN A 67 1.856 1.021 1.648 1.00 0.00 N ATOM 1085 CA GLN A 67 0.936 2.107 1.972 1.00 0.00 C ATOM 1086 C GLN A 67 -0.287 2.045 1.066 1.00 0.00 C ATOM 1087 O GLN A 67 -0.165 2.082 -0.155 1.00 0.00 O ATOM 1088 CB GLN A 67 1.631 3.462 1.831 1.00 0.00 C ATOM 1089 CG GLN A 67 2.810 3.636 2.770 1.00 0.00 C ATOM 1090 CD GLN A 67 2.387 4.010 4.177 1.00 0.00 C ATOM 1091 OE1 GLN A 67 1.590 5.065 4.294 1.00 0.00 O flip ATOM 1092 NE2 GLN A 67 2.772 3.361 5.150 1.00 0.00 N flip ATOM 0 H GLN A 67 2.296 1.102 0.732 1.00 0.00 H new ATOM 0 HA GLN A 67 0.615 1.992 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.974 3.581 0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.907 4.255 2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.384 2.710 2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.472 4.408 2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.384 2.556 5.016 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.479 3.628 6.090 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.464 1.919 1.664 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.691 1.817 0.888 1.00 0.00 C ATOM 1103 C VAL A 68 -3.393 3.163 0.710 1.00 0.00 C ATOM 1104 O VAL A 68 -3.166 4.110 1.465 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.679 0.816 1.520 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.692 0.346 0.489 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.937 -0.370 2.120 1.00 0.00 C ATOM 0 H VAL A 68 -1.594 1.885 2.675 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.385 1.458 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.213 1.324 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.382 -0.360 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.250 1.202 0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.172 -0.142 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.654 -1.063 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.373 -0.879 1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.252 -0.018 2.891 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.258 3.223 -0.301 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.013 4.434 -0.610 1.00 0.00 C ATOM 1119 C PHE A 69 -6.431 4.076 -1.046 1.00 0.00 C ATOM 1120 O PHE A 69 -6.637 3.122 -1.795 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.325 5.212 -1.732 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.149 6.022 -1.278 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.330 7.290 -0.756 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -1.863 5.520 -1.384 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.250 8.044 -0.343 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -0.776 6.269 -0.976 1.00 0.00 C ATOM 1127 CZ PHE A 69 -0.970 7.534 -0.453 1.00 0.00 C ATOM 0 H PHE A 69 -4.454 2.440 -0.924 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.055 5.051 0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.996 4.510 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.052 5.876 -2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.328 7.695 -0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.708 4.531 -1.790 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.405 9.032 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.223 5.867 -1.065 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.123 8.122 -0.131 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.406 4.842 -0.568 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.807 4.598 -0.902 1.00 0.00 C ATOM 1139 C ALA A 70 -9.007 4.509 -2.417 1.00 0.00 C ATOM 1140 O ALA A 70 -8.370 5.245 -3.170 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.686 5.696 -0.319 1.00 0.00 C ATOM 0 H ALA A 70 -7.253 5.637 0.052 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.096 3.642 -0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.728 5.503 -0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.576 5.713 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.385 6.660 -0.729 1.00 0.00 H new ATOM 1147 N PRO A 71 -9.903 3.608 -2.879 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.205 3.417 -4.298 1.00 0.00 C ATOM 1149 C PRO A 71 -10.078 4.702 -5.108 1.00 0.00 C ATOM 1150 O PRO A 71 -9.610 4.692 -6.247 1.00 0.00 O ATOM 1151 CB PRO A 71 -11.664 2.933 -4.281 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.986 2.592 -2.851 1.00 0.00 C ATOM 1153 CD PRO A 71 -10.709 2.709 -2.058 1.00 0.00 C ATOM 0 HA PRO A 71 -9.510 2.723 -4.771 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.334 3.707 -4.655 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.791 2.063 -4.925 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.745 3.268 -2.457 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.390 1.582 -2.779 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.886 3.118 -1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.226 1.741 -1.923 1.00 0.00 H new ATOM 1161 N ASP A 72 -10.490 5.808 -4.502 1.00 0.00 N ATOM 1162 CA ASP A 72 -10.420 7.111 -5.149 1.00 0.00 C ATOM 1163 C ASP A 72 -10.731 8.212 -4.144 1.00 0.00 C ATOM 1164 O ASP A 72 -11.332 9.230 -4.487 1.00 0.00 O ATOM 1165 CB ASP A 72 -11.393 7.174 -6.327 1.00 0.00 C ATOM 1166 CG ASP A 72 -10.682 7.354 -7.654 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -9.802 6.527 -7.973 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -11.008 8.321 -8.374 1.00 0.00 O ATOM 0 H ASP A 72 -10.878 5.828 -3.559 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.409 7.259 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.984 6.259 -6.356 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.089 7.999 -6.176 1.00 0.00 H new ATOM 1173 N GLY A 73 -10.324 7.991 -2.897 1.00 0.00 N ATOM 1174 CA GLY A 73 -10.572 8.966 -1.848 1.00 0.00 C ATOM 1175 C GLY A 73 -9.300 9.576 -1.297 1.00 0.00 C ATOM 1176 O GLY A 73 -8.679 10.423 -1.939 1.00 0.00 O ATOM 0 H GLY A 73 -9.827 7.154 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.209 9.759 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.121 8.488 -1.037 1.00 0.00 H new ATOM 1180 N SER A 74 -8.919 9.149 -0.097 1.00 0.00 N ATOM 1181 CA SER A 74 -7.717 9.659 0.556 1.00 0.00 C ATOM 1182 C SER A 74 -6.856 8.524 1.092 1.00 0.00 C ATOM 1183 O SER A 74 -7.209 7.350 0.982 1.00 0.00 O ATOM 1184 CB SER A 74 -8.097 10.605 1.697 1.00 0.00 C ATOM 1185 OG SER A 74 -6.987 11.390 2.099 1.00 0.00 O ATOM 0 H SER A 74 -9.426 8.449 0.445 1.00 0.00 H new ATOM 0 HA SER A 74 -7.138 10.205 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.911 11.256 1.378 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.465 10.028 2.545 1.00 0.00 H new ATOM 0 HG SER A 74 -7.256 11.987 2.828 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.722 8.895 1.666 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.786 7.933 2.229 1.00 0.00 C ATOM 1193 C HIS A 75 -5.407 7.212 3.423 1.00 0.00 C ATOM 1194 O HIS A 75 -5.942 7.850 4.330 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.514 8.665 2.651 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.370 7.764 2.993 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.948 6.621 2.396 1.00 0.00 N flip ATOM 1198 CD2 HIS A 75 -1.499 7.993 4.035 1.00 0.00 C flip ATOM 1199 CE1 HIS A 75 -0.822 6.146 3.063 1.00 0.00 C flip ATOM 1200 NE2 HIS A 75 -0.593 7.007 4.037 1.00 0.00 N flip ATOM 0 H HIS A 75 -5.425 9.867 1.755 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.543 7.184 1.476 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.208 9.331 1.845 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.739 9.291 3.514 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -2.386 6.180 1.587 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.540 8.821 4.727 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.254 5.257 2.831 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.339 5.881 3.420 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.906 5.089 4.511 1.00 0.00 C ATOM 1210 C ILE A 76 -4.808 4.567 5.434 1.00 0.00 C ATOM 1211 O ILE A 76 -4.960 4.571 6.656 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.755 3.913 3.962 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -8.129 4.421 3.524 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.912 2.801 4.992 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -8.297 4.465 2.026 1.00 0.00 C ATOM 0 H ILE A 76 -4.901 5.332 2.681 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.560 5.742 5.090 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.230 3.496 3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.899 3.779 3.951 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.286 5.420 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.513 1.996 4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.929 2.416 5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.406 3.195 5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.293 4.834 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.548 5.130 1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.171 3.463 1.616 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.702 4.126 4.846 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.599 3.621 5.639 1.00 0.00 C ATOM 1229 C GLY A 77 -2.087 2.281 5.151 1.00 0.00 C ATOM 1230 O GLY A 77 -2.419 1.847 4.050 1.00 0.00 O ATOM 0 H GLY A 77 -3.550 4.109 3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.784 4.344 5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.918 3.526 6.677 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.269 1.629 5.972 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.714 0.340 5.600 1.00 0.00 C ATOM 1236 C GLY A 78 -1.623 -0.820 5.959 1.00 0.00 C ATOM 1237 O GLY A 78 -2.835 -0.757 5.750 1.00 0.00 O ATOM 0 H GLY A 78 -0.981 1.971 6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.525 0.328 4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.248 0.208 6.095 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.033 -1.885 6.494 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.791 -3.071 6.878 1.00 0.00 C ATOM 1243 C PHE A 79 -2.631 -2.811 8.124 1.00 0.00 C ATOM 1244 O PHE A 79 -3.860 -2.786 8.061 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.842 -4.248 7.125 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.548 -5.526 7.479 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.566 -6.016 6.675 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.199 -6.234 8.617 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.221 -7.190 7.000 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -1.849 -7.409 8.947 1.00 0.00 C ATOM 1251 CZ PHE A 79 -2.862 -7.886 8.138 1.00 0.00 C ATOM 0 H PHE A 79 -0.031 -1.951 6.672 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.465 -3.318 6.058 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.239 -4.411 6.232 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.155 -3.987 7.930 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.851 -5.475 5.785 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.410 -5.864 9.254 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.012 -7.562 6.365 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.565 -7.953 9.836 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.373 -8.802 8.395 1.00 0.00 H new ATOM 1261 N ASP A 80 -1.961 -2.622 9.258 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.649 -2.369 10.522 1.00 0.00 C ATOM 1263 C ASP A 80 -3.608 -1.190 10.396 1.00 0.00 C ATOM 1264 O ASP A 80 -4.746 -1.248 10.864 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.633 -2.095 11.633 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.242 -2.225 13.016 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -2.846 -1.241 13.494 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.114 -3.310 13.621 1.00 0.00 O ATOM 0 H ASP A 80 -0.944 -2.639 9.328 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.226 -3.258 10.775 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.799 -2.791 11.539 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.226 -1.091 11.511 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.141 -0.122 9.759 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.955 1.074 9.570 1.00 0.00 C ATOM 1275 C GLN A 81 -5.247 0.739 8.833 1.00 0.00 C ATOM 1276 O GLN A 81 -6.334 1.142 9.248 1.00 0.00 O ATOM 1277 CB GLN A 81 -3.173 2.130 8.789 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.515 3.177 9.672 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.002 3.097 9.645 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -0.402 2.803 8.611 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -0.375 3.359 10.787 1.00 0.00 N ATOM 0 H GLN A 81 -2.202 -0.060 9.364 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.208 1.470 10.553 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.406 1.635 8.193 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.847 2.627 8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.828 4.169 9.347 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.863 3.053 10.697 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.912 3.599 11.620 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.643 3.321 10.830 1.00 0.00 H new ATOM 1290 N LEU A 82 -5.120 0.002 7.736 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.276 -0.385 6.940 1.00 0.00 C ATOM 1292 C LEU A 82 -7.178 -1.348 7.697 1.00 0.00 C ATOM 1293 O LEU A 82 -8.399 -1.202 7.678 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.846 -0.992 5.621 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.987 -1.116 4.623 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.720 -0.302 3.374 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.221 -2.564 4.291 1.00 0.00 C ATOM 0 H LEU A 82 -4.228 -0.339 7.378 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.848 0.520 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.056 -0.380 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.421 -1.979 5.803 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.891 -0.713 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.555 -0.413 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.608 0.749 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.805 -0.655 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.039 -2.646 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.316 -2.989 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.477 -3.109 5.200 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.584 -2.320 8.382 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.366 -3.278 9.159 1.00 0.00 C ATOM 1311 C ARG A 83 -8.332 -2.529 10.068 1.00 0.00 C ATOM 1312 O ARG A 83 -9.426 -3.008 10.365 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.447 -4.176 9.989 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.062 -5.521 10.340 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.021 -6.481 10.891 1.00 0.00 C ATOM 1316 NE ARG A 83 -6.591 -7.403 11.872 1.00 0.00 N ATOM 1317 CZ ARG A 83 -6.916 -7.055 13.115 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -6.730 -5.808 13.532 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -7.427 -7.954 13.943 1.00 0.00 N ATOM 0 H ARG A 83 -5.575 -2.465 8.416 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.932 -3.910 8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.521 -4.342 9.438 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.181 -3.657 10.910 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.854 -5.380 11.076 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.524 -5.954 9.453 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.582 -7.050 10.071 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.213 -5.914 11.353 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.749 -8.370 11.587 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.336 -5.112 12.899 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.981 -5.546 14.485 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.572 -8.913 13.628 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.676 -7.687 14.895 1.00 0.00 H new ATOM 1333 N GLU A 84 -7.922 -1.331 10.482 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.757 -0.491 11.326 1.00 0.00 C ATOM 1335 C GLU A 84 -9.903 0.070 10.497 1.00 0.00 C ATOM 1336 O GLU A 84 -11.029 0.200 10.976 1.00 0.00 O ATOM 1337 CB GLU A 84 -7.935 0.646 11.939 1.00 0.00 C ATOM 1338 CG GLU A 84 -7.496 0.375 13.368 1.00 0.00 C ATOM 1339 CD GLU A 84 -6.258 -0.496 13.443 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -5.139 0.052 13.354 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -6.407 -1.728 13.590 1.00 0.00 O ATOM 0 H GLU A 84 -7.017 -0.924 10.245 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.160 -1.092 12.142 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.053 0.819 11.323 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.524 1.563 11.916 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.300 1.323 13.870 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.309 -0.109 13.908 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.610 0.372 9.233 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.615 0.882 8.318 1.00 0.00 C ATOM 1350 C TYR A 85 -11.688 -0.179 8.109 1.00 0.00 C ATOM 1351 O TYR A 85 -12.868 0.131 7.946 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.961 1.251 6.984 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.865 2.003 6.036 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.934 1.372 5.414 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.641 3.344 5.754 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.757 2.057 4.541 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -11.458 4.036 4.883 1.00 0.00 C ATOM 1358 CZ TYR A 85 -12.515 3.389 4.279 1.00 0.00 C ATOM 1359 OH TYR A 85 -13.331 4.074 3.408 1.00 0.00 O ATOM 0 H TYR A 85 -8.681 0.270 8.824 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.075 1.777 8.737 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.077 1.857 7.181 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.620 0.338 6.495 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.125 0.328 5.616 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.813 3.854 6.224 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.585 1.552 4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.270 5.079 4.676 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.025 5.002 3.334 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.256 -1.439 8.136 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.152 -2.578 7.961 1.00 0.00 C ATOM 1371 C PHE A 86 -12.746 -3.019 9.296 1.00 0.00 C ATOM 1372 O PHE A 86 -13.849 -3.563 9.346 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.388 -3.740 7.316 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.256 -3.619 5.823 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.326 -3.200 5.045 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.055 -3.905 5.199 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.195 -3.070 3.677 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.921 -3.780 3.830 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.991 -3.361 3.069 1.00 0.00 C ATOM 0 H PHE A 86 -10.280 -1.697 8.279 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.972 -2.275 7.310 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.393 -3.799 7.757 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.897 -4.674 7.553 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.272 -2.973 5.515 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.211 -4.230 5.790 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -13.035 -2.741 3.083 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.978 -4.010 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.887 -3.261 1.999 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.008 -2.781 10.377 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.462 -3.155 11.712 1.00 0.00 C ATOM 1391 C LYS A 87 -12.717 -4.658 11.800 1.00 0.00 C ATOM 1392 O LYS A 87 -11.789 -5.392 12.198 1.00 0.00 O ATOM 1393 CB LYS A 87 -13.732 -2.384 12.080 1.00 0.00 C ATOM 1394 CG LYS A 87 -13.586 -1.535 13.333 1.00 0.00 C ATOM 1395 CD LYS A 87 -14.793 -1.674 14.249 1.00 0.00 C ATOM 1396 CE LYS A 87 -14.380 -1.754 15.709 1.00 0.00 C ATOM 1397 NZ LYS A 87 -14.580 -0.458 16.415 1.00 0.00 N ATOM 1398 OXT LYS A 87 -13.844 -5.085 11.470 1.00 0.00 O ATOM 0 H LYS A 87 -11.093 -2.331 10.354 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.675 -2.898 12.421 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.011 -1.741 11.246 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.548 -3.092 12.224 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.685 -1.831 13.870 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.461 -0.489 13.052 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.460 -0.824 14.105 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.354 -2.569 13.979 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.958 -2.532 16.208 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.332 -2.045 15.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.286 -0.555 17.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.009 0.280 15.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.585 -0.193 16.375 1.00 0.00 H new TER 1412 LYS A 87