USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 569 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 56 ASN :FLIP amide:sc= -2.93! C(o=-3.1!,f=-2.1!) USER MOD Set 1.2: A 57 THR OG1 : rot -91:sc= 0.852 USER MOD Set 2.1: A 44 ASN : amide:sc= -3.46 K(o=-3.2,f=-13!) USER MOD Set 2.2: A 46 SER OG : rot 90:sc= 0.244 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.321 (180deg=0.166) USER MOD Single : A 3 GLN : amide:sc= -4.37 K(o=-4.4,f=-6.5!) USER MOD Single : A 6 SER OG : rot -118:sc= 0.679 USER MOD Single : A 7 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0578) USER MOD Single : A 15 SER OG : rot -109:sc= 0.575 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 30:sc= 1.22 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 30 SER OG : rot -121:sc= 0.165 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 165:sc= 0.293 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.84 K(o=-1.8,f=-5.7!) USER MOD Single : A 59 ASN : amide:sc= -3.05 K(o=-3.1,f=-5.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.405) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.228 5.961 -2.487 1.00 0.00 N ATOM 2 CA MET A 1 -9.432 6.795 -1.541 1.00 0.00 C ATOM 3 C MET A 1 -8.213 6.013 -1.044 1.00 0.00 C ATOM 4 O MET A 1 -8.285 5.289 -0.069 1.00 0.00 O ATOM 5 CB MET A 1 -10.385 7.097 -0.383 1.00 0.00 C ATOM 6 CG MET A 1 -11.074 8.441 -0.625 1.00 0.00 C ATOM 7 SD MET A 1 -12.590 8.178 -1.578 1.00 0.00 S ATOM 8 CE MET A 1 -13.501 9.612 -0.953 1.00 0.00 C ATOM 0 H1 MET A 1 -11.204 6.319 -2.529 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.801 6.008 -3.434 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.235 4.974 -2.159 1.00 0.00 H new ATOM 0 HA MET A 1 -9.056 7.705 -2.008 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.129 6.306 -0.295 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.835 7.123 0.557 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.308 8.918 0.327 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.405 9.113 -1.163 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.487 9.648 -1.417 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.612 9.530 0.128 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.954 10.524 -1.193 1.00 0.00 H new ATOM 20 N VAL A 2 -7.090 6.175 -1.695 1.00 0.00 N ATOM 21 CA VAL A 2 -5.852 5.465 -1.253 1.00 0.00 C ATOM 22 C VAL A 2 -5.083 6.329 -0.247 1.00 0.00 C ATOM 23 O VAL A 2 -4.092 6.950 -0.581 1.00 0.00 O ATOM 24 CB VAL A 2 -5.029 5.259 -2.531 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.729 4.522 -2.195 1.00 0.00 C ATOM 26 CG2 VAL A 2 -5.834 4.425 -3.532 1.00 0.00 C ATOM 0 H VAL A 2 -6.977 6.770 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.071 4.519 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.796 6.231 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.147 4.377 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.150 5.111 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.964 3.552 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.248 4.280 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.068 3.456 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.760 4.945 -3.778 1.00 0.00 H new ATOM 36 N GLN A 3 -5.517 6.342 0.987 1.00 0.00 N ATOM 37 CA GLN A 3 -4.798 7.132 2.032 1.00 0.00 C ATOM 38 C GLN A 3 -4.233 6.198 3.105 1.00 0.00 C ATOM 39 O GLN A 3 -4.310 4.989 2.989 1.00 0.00 O ATOM 40 CB GLN A 3 -5.859 8.056 2.630 1.00 0.00 C ATOM 41 CG GLN A 3 -6.072 9.256 1.703 1.00 0.00 C ATOM 42 CD GLN A 3 -7.100 8.897 0.629 1.00 0.00 C ATOM 43 OE1 GLN A 3 -8.277 8.788 0.912 1.00 0.00 O ATOM 44 NE2 GLN A 3 -6.703 8.705 -0.599 1.00 0.00 N ATOM 0 H GLN A 3 -6.340 5.838 1.317 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.956 7.690 1.622 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.796 7.514 2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.546 8.396 3.617 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.416 10.116 2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.129 9.541 1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.715 8.797 -0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.381 8.463 -1.322 1.00 0.00 H new ATOM 53 N ARG A 4 -3.691 6.752 4.160 1.00 0.00 N ATOM 54 CA ARG A 4 -3.145 5.902 5.262 1.00 0.00 C ATOM 55 C ARG A 4 -4.261 5.049 5.876 1.00 0.00 C ATOM 56 O ARG A 4 -5.333 5.540 6.178 1.00 0.00 O ATOM 57 CB ARG A 4 -2.579 6.884 6.296 1.00 0.00 C ATOM 58 CG ARG A 4 -3.686 7.825 6.790 1.00 0.00 C ATOM 59 CD ARG A 4 -4.258 7.296 8.110 1.00 0.00 C ATOM 60 NE ARG A 4 -3.550 8.068 9.178 1.00 0.00 N ATOM 61 CZ ARG A 4 -3.483 7.622 10.417 1.00 0.00 C ATOM 62 NH1 ARG A 4 -4.068 6.504 10.780 1.00 0.00 N ATOM 63 NH2 ARG A 4 -2.818 8.309 11.306 1.00 0.00 N ATOM 0 H ARG A 4 -3.603 7.758 4.306 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.380 5.213 4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.156 6.335 7.137 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.769 7.464 5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.287 8.830 6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.476 7.898 6.043 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.336 7.449 8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.082 6.225 8.215 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.110 8.958 8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.591 5.957 10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.000 6.183 11.746 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.358 9.179 11.038 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.758 7.975 12.268 1.00 0.00 H new ATOM 77 N GLY A 5 -4.002 3.784 6.093 1.00 0.00 N ATOM 78 CA GLY A 5 -5.028 2.900 6.721 1.00 0.00 C ATOM 79 C GLY A 5 -5.573 1.923 5.678 1.00 0.00 C ATOM 80 O GLY A 5 -6.007 0.835 6.004 1.00 0.00 O ATOM 0 H GLY A 5 -3.121 3.325 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.588 2.351 7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.840 3.502 7.129 1.00 0.00 H new ATOM 84 N SER A 6 -5.591 2.321 4.430 1.00 0.00 N ATOM 85 CA SER A 6 -6.153 1.435 3.363 1.00 0.00 C ATOM 86 C SER A 6 -5.365 0.124 3.292 1.00 0.00 C ATOM 87 O SER A 6 -4.181 0.120 3.007 1.00 0.00 O ATOM 88 CB SER A 6 -5.997 2.220 2.060 1.00 0.00 C ATOM 89 OG SER A 6 -4.676 2.740 1.981 1.00 0.00 O ATOM 0 H SER A 6 -5.241 3.222 4.103 1.00 0.00 H new ATOM 0 HA SER A 6 -7.193 1.174 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.197 1.573 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.723 3.032 2.022 1.00 0.00 H new ATOM 0 HG SER A 6 -4.711 3.719 1.957 1.00 0.00 H new ATOM 95 N LYS A 7 -6.045 -0.990 3.403 1.00 0.00 N ATOM 96 CA LYS A 7 -5.375 -2.305 3.178 1.00 0.00 C ATOM 97 C LYS A 7 -5.163 -2.538 1.679 1.00 0.00 C ATOM 98 O LYS A 7 -5.862 -3.319 1.059 1.00 0.00 O ATOM 99 CB LYS A 7 -6.338 -3.345 3.755 1.00 0.00 C ATOM 100 CG LYS A 7 -6.078 -3.507 5.253 1.00 0.00 C ATOM 101 CD LYS A 7 -4.916 -4.479 5.468 1.00 0.00 C ATOM 102 CE LYS A 7 -5.444 -5.916 5.455 1.00 0.00 C ATOM 103 NZ LYS A 7 -5.940 -6.156 6.839 1.00 0.00 N ATOM 0 H LYS A 7 -7.036 -1.044 3.640 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.393 -2.356 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.369 -3.034 3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.205 -4.300 3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.844 -2.540 5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.974 -3.879 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.169 -4.348 4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.424 -4.270 6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.243 -6.037 4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.658 -6.623 5.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.737 -6.823 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.174 -6.556 7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.256 -5.257 7.256 1.00 0.00 H new ATOM 117 N VAL A 8 -4.296 -1.766 1.073 1.00 0.00 N ATOM 118 CA VAL A 8 -4.144 -1.827 -0.414 1.00 0.00 C ATOM 119 C VAL A 8 -3.275 -3.027 -0.811 1.00 0.00 C ATOM 120 O VAL A 8 -2.336 -3.378 -0.121 1.00 0.00 O ATOM 121 CB VAL A 8 -3.464 -0.509 -0.808 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.363 0.664 -0.407 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.105 -0.383 -0.099 1.00 0.00 C ATOM 0 H VAL A 8 -3.687 -1.096 1.543 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.102 -1.951 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.303 -0.497 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.883 1.602 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.321 0.580 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.526 0.646 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.631 0.556 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.255 -0.399 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.465 -1.216 -0.389 1.00 0.00 H new ATOM 133 N ARG A 9 -3.546 -3.612 -1.951 1.00 0.00 N ATOM 134 CA ARG A 9 -2.696 -4.740 -2.439 1.00 0.00 C ATOM 135 C ARG A 9 -1.408 -4.200 -3.064 1.00 0.00 C ATOM 136 O ARG A 9 -1.346 -3.061 -3.491 1.00 0.00 O ATOM 137 CB ARG A 9 -3.547 -5.449 -3.494 1.00 0.00 C ATOM 138 CG ARG A 9 -4.382 -6.544 -2.826 1.00 0.00 C ATOM 139 CD ARG A 9 -4.615 -7.686 -3.817 1.00 0.00 C ATOM 140 NE ARG A 9 -5.998 -8.174 -3.527 1.00 0.00 N ATOM 141 CZ ARG A 9 -6.253 -8.935 -2.481 1.00 0.00 C ATOM 142 NH1 ARG A 9 -5.313 -9.264 -1.624 1.00 0.00 N ATOM 143 NH2 ARG A 9 -7.468 -9.372 -2.292 1.00 0.00 N ATOM 0 H ARG A 9 -4.320 -3.357 -2.565 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.400 -5.412 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.200 -4.732 -3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.906 -5.883 -4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.869 -6.917 -1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.337 -6.136 -2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.527 -7.339 -4.847 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.880 -8.480 -3.684 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.761 -7.913 -4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.359 -8.929 -1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.537 -9.854 -0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.207 -9.124 -2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.678 -9.962 -1.487 1.00 0.00 H new ATOM 157 N ILE A 10 -0.381 -5.010 -3.121 1.00 0.00 N ATOM 158 CA ILE A 10 0.909 -4.552 -3.721 1.00 0.00 C ATOM 159 C ILE A 10 1.059 -5.116 -5.137 1.00 0.00 C ATOM 160 O ILE A 10 1.128 -6.316 -5.331 1.00 0.00 O ATOM 161 CB ILE A 10 2.000 -5.110 -2.797 1.00 0.00 C ATOM 162 CG1 ILE A 10 1.800 -4.579 -1.366 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.381 -4.687 -3.312 1.00 0.00 C ATOM 164 CD1 ILE A 10 1.865 -3.045 -1.348 1.00 0.00 C ATOM 0 H ILE A 10 -0.380 -5.970 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 10 0.966 -3.467 -3.804 1.00 0.00 H new ATOM 0 HB ILE A 10 1.934 -6.198 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.837 -4.913 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.567 -4.989 -0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.153 -5.085 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.528 -5.076 -4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.445 -3.599 -3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.722 -2.687 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.838 -2.718 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.081 -2.640 -1.988 1.00 0.00 H new ATOM 176 N LEU A 11 1.164 -4.256 -6.118 1.00 0.00 N ATOM 177 CA LEU A 11 1.376 -4.730 -7.519 1.00 0.00 C ATOM 178 C LEU A 11 2.846 -4.567 -7.913 1.00 0.00 C ATOM 179 O LEU A 11 3.160 -4.171 -9.019 1.00 0.00 O ATOM 180 CB LEU A 11 0.485 -3.829 -8.383 1.00 0.00 C ATOM 181 CG LEU A 11 -0.953 -4.374 -8.430 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.961 -5.775 -9.048 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.533 -4.437 -7.013 1.00 0.00 C ATOM 0 H LEU A 11 1.112 -3.243 -6.009 1.00 0.00 H new ATOM 0 HA LEU A 11 1.128 -5.784 -7.641 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.483 -2.816 -7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.890 -3.769 -9.393 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.563 -3.708 -9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.983 -6.154 -9.078 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.562 -5.728 -10.061 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.344 -6.442 -8.446 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.551 -4.824 -7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.919 -5.095 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.542 -3.437 -6.579 1.00 0.00 H new ATOM 195 N ARG A 12 3.746 -4.860 -7.009 1.00 0.00 N ATOM 196 CA ARG A 12 5.200 -4.714 -7.315 1.00 0.00 C ATOM 197 C ARG A 12 5.890 -6.088 -7.285 1.00 0.00 C ATOM 198 O ARG A 12 6.432 -6.476 -6.269 1.00 0.00 O ATOM 199 CB ARG A 12 5.748 -3.812 -6.209 1.00 0.00 C ATOM 200 CG ARG A 12 6.983 -3.067 -6.722 1.00 0.00 C ATOM 201 CD ARG A 12 7.033 -1.671 -6.098 1.00 0.00 C ATOM 202 NE ARG A 12 8.276 -1.047 -6.647 1.00 0.00 N ATOM 203 CZ ARG A 12 9.469 -1.383 -6.197 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.624 -2.311 -5.281 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.523 -0.780 -6.677 1.00 0.00 N ATOM 0 H ARG A 12 3.535 -5.195 -6.069 1.00 0.00 H new ATOM 0 HA ARG A 12 5.374 -4.295 -8.306 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.985 -3.100 -5.895 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.007 -4.408 -5.334 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.886 -3.622 -6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.949 -2.990 -7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.150 -1.089 -6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.066 -1.726 -5.010 1.00 0.00 H new ATOM 0 HE ARG A 12 8.199 -0.347 -7.385 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.810 -2.792 -4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.559 -2.551 -4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.417 -0.059 -7.391 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.452 -1.030 -6.338 1.00 0.00 H new ATOM 219 N PRO A 13 5.851 -6.790 -8.402 1.00 0.00 N ATOM 220 CA PRO A 13 6.489 -8.136 -8.481 1.00 0.00 C ATOM 221 C PRO A 13 7.953 -8.080 -8.021 1.00 0.00 C ATOM 222 O PRO A 13 8.499 -9.057 -7.543 1.00 0.00 O ATOM 223 CB PRO A 13 6.408 -8.487 -9.965 1.00 0.00 C ATOM 224 CG PRO A 13 5.261 -7.685 -10.488 1.00 0.00 C ATOM 225 CD PRO A 13 5.219 -6.415 -9.680 1.00 0.00 C ATOM 0 HA PRO A 13 6.000 -8.870 -7.840 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.334 -8.235 -10.482 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.242 -9.555 -10.110 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.393 -7.466 -11.548 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.326 -8.237 -10.391 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.762 -5.609 -10.173 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.196 -6.068 -9.534 1.00 0.00 H new ATOM 233 N GLU A 14 8.578 -6.937 -8.145 1.00 0.00 N ATOM 234 CA GLU A 14 9.999 -6.803 -7.696 1.00 0.00 C ATOM 235 C GLU A 14 10.074 -6.813 -6.166 1.00 0.00 C ATOM 236 O GLU A 14 11.069 -7.213 -5.590 1.00 0.00 O ATOM 237 CB GLU A 14 10.469 -5.455 -8.247 1.00 0.00 C ATOM 238 CG GLU A 14 11.926 -5.567 -8.702 1.00 0.00 C ATOM 239 CD GLU A 14 12.853 -5.116 -7.570 1.00 0.00 C ATOM 240 OE1 GLU A 14 12.520 -5.367 -6.424 1.00 0.00 O ATOM 241 OE2 GLU A 14 13.878 -4.527 -7.870 1.00 0.00 O ATOM 0 H GLU A 14 8.167 -6.090 -8.538 1.00 0.00 H new ATOM 0 HA GLU A 14 10.621 -7.625 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.838 -5.153 -9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.375 -4.685 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.152 -6.596 -8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.090 -4.952 -9.587 1.00 0.00 H new ATOM 248 N SER A 15 9.030 -6.377 -5.508 1.00 0.00 N ATOM 249 CA SER A 15 9.034 -6.359 -4.013 1.00 0.00 C ATOM 250 C SER A 15 8.771 -7.765 -3.466 1.00 0.00 C ATOM 251 O SER A 15 7.929 -8.487 -3.966 1.00 0.00 O ATOM 252 CB SER A 15 7.901 -5.413 -3.621 1.00 0.00 C ATOM 253 OG SER A 15 8.268 -4.080 -3.948 1.00 0.00 O ATOM 0 H SER A 15 8.174 -6.032 -5.942 1.00 0.00 H new ATOM 0 HA SER A 15 9.993 -6.034 -3.609 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.985 -5.689 -4.143 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.697 -5.495 -2.553 1.00 0.00 H new ATOM 0 HG SER A 15 8.442 -3.577 -3.125 1.00 0.00 H new ATOM 259 N TYR A 16 9.429 -8.123 -2.393 1.00 0.00 N ATOM 260 CA TYR A 16 9.159 -9.446 -1.746 1.00 0.00 C ATOM 261 C TYR A 16 7.695 -9.534 -1.301 1.00 0.00 C ATOM 262 O TYR A 16 7.156 -10.612 -1.131 1.00 0.00 O ATOM 263 CB TYR A 16 10.091 -9.501 -0.534 1.00 0.00 C ATOM 264 CG TYR A 16 9.978 -10.853 0.128 1.00 0.00 C ATOM 265 CD1 TYR A 16 8.943 -11.104 1.037 1.00 0.00 C ATOM 266 CD2 TYR A 16 10.908 -11.858 -0.167 1.00 0.00 C ATOM 267 CE1 TYR A 16 8.838 -12.357 1.651 1.00 0.00 C ATOM 268 CE2 TYR A 16 10.802 -13.111 0.447 1.00 0.00 C ATOM 269 CZ TYR A 16 9.767 -13.361 1.357 1.00 0.00 C ATOM 270 OH TYR A 16 9.664 -14.597 1.962 1.00 0.00 O ATOM 0 H TYR A 16 10.143 -7.556 -1.935 1.00 0.00 H new ATOM 0 HA TYR A 16 9.333 -10.277 -2.430 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.120 -9.322 -0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.830 -8.715 0.174 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.225 -10.330 1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.707 -11.666 -0.868 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.039 -12.549 2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.519 -13.886 0.219 1.00 0.00 H new ATOM 0 HH TYR A 16 10.388 -15.177 1.646 1.00 0.00 H new ATOM 280 N TRP A 17 7.066 -8.410 -1.058 1.00 0.00 N ATOM 281 CA TRP A 17 5.657 -8.426 -0.561 1.00 0.00 C ATOM 282 C TRP A 17 4.679 -8.262 -1.729 1.00 0.00 C ATOM 283 O TRP A 17 3.633 -7.655 -1.590 1.00 0.00 O ATOM 284 CB TRP A 17 5.556 -7.232 0.389 1.00 0.00 C ATOM 285 CG TRP A 17 6.482 -7.431 1.546 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.439 -8.474 2.405 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.584 -6.584 1.984 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.445 -8.321 3.345 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.177 -7.171 3.126 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.119 -5.374 1.505 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.264 -6.579 3.771 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.213 -4.776 2.152 1.00 0.00 C ATOM 293 CH2 TRP A 17 9.784 -5.377 3.282 1.00 0.00 C ATOM 0 H TRP A 17 7.469 -7.481 -1.183 1.00 0.00 H new ATOM 0 HA TRP A 17 5.408 -9.365 -0.066 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.809 -6.312 -0.138 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.531 -7.123 0.745 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.736 -9.292 2.365 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.623 -8.977 4.105 1.00 0.00 H new ATOM 0 HE3 TRP A 17 7.686 -4.902 0.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.700 -7.046 4.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 9.617 -3.847 1.776 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.625 -4.912 3.775 1.00 0.00 H new ATOM 304 N PHE A 18 4.988 -8.843 -2.862 1.00 0.00 N ATOM 305 CA PHE A 18 4.049 -8.772 -4.024 1.00 0.00 C ATOM 306 C PHE A 18 2.754 -9.522 -3.703 1.00 0.00 C ATOM 307 O PHE A 18 2.729 -10.403 -2.867 1.00 0.00 O ATOM 308 CB PHE A 18 4.787 -9.448 -5.182 1.00 0.00 C ATOM 309 CG PHE A 18 3.962 -9.330 -6.442 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.560 -8.069 -6.899 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.599 -10.480 -7.151 1.00 0.00 C ATOM 312 CE1 PHE A 18 2.795 -7.960 -8.067 1.00 0.00 C ATOM 313 CE2 PHE A 18 2.834 -10.371 -8.318 1.00 0.00 C ATOM 314 CZ PHE A 18 2.432 -9.110 -8.776 1.00 0.00 C ATOM 0 H PHE A 18 5.849 -9.363 -3.032 1.00 0.00 H new ATOM 0 HA PHE A 18 3.772 -7.746 -4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.762 -8.982 -5.328 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.967 -10.498 -4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.840 -7.181 -6.351 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.909 -11.452 -6.798 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.485 -6.988 -8.421 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.554 -11.259 -8.865 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.842 -9.025 -9.676 1.00 0.00 H new ATOM 324 N GLN A 19 1.677 -9.181 -4.372 1.00 0.00 N ATOM 325 CA GLN A 19 0.367 -9.871 -4.125 1.00 0.00 C ATOM 326 C GLN A 19 0.012 -9.851 -2.633 1.00 0.00 C ATOM 327 O GLN A 19 -0.707 -10.702 -2.146 1.00 0.00 O ATOM 328 CB GLN A 19 0.566 -11.310 -4.610 1.00 0.00 C ATOM 329 CG GLN A 19 -0.730 -11.820 -5.245 1.00 0.00 C ATOM 330 CD GLN A 19 -0.436 -13.076 -6.067 1.00 0.00 C ATOM 331 OE1 GLN A 19 0.138 -14.023 -5.567 1.00 0.00 O ATOM 332 NE2 GLN A 19 -0.808 -13.125 -7.317 1.00 0.00 N ATOM 0 H GLN A 19 1.648 -8.450 -5.083 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.452 -9.375 -4.647 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.379 -11.351 -5.335 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.851 -11.950 -3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.464 -12.043 -4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.163 -11.049 -5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.290 -12.330 -7.737 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.617 -13.958 -7.874 1.00 0.00 H new ATOM 341 N ASP A 20 0.493 -8.868 -1.914 1.00 0.00 N ATOM 342 CA ASP A 20 0.167 -8.766 -0.461 1.00 0.00 C ATOM 343 C ASP A 20 -0.711 -7.539 -0.200 1.00 0.00 C ATOM 344 O ASP A 20 -0.666 -6.568 -0.933 1.00 0.00 O ATOM 345 CB ASP A 20 1.519 -8.615 0.240 1.00 0.00 C ATOM 346 CG ASP A 20 1.499 -9.385 1.561 1.00 0.00 C ATOM 347 OD1 ASP A 20 0.987 -8.846 2.529 1.00 0.00 O ATOM 348 OD2 ASP A 20 1.996 -10.498 1.584 1.00 0.00 O ATOM 0 H ASP A 20 1.099 -8.130 -2.273 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.385 -9.634 -0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.316 -8.992 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.729 -7.561 0.424 1.00 0.00 H new ATOM 353 N VAL A 21 -1.474 -7.560 0.863 1.00 0.00 N ATOM 354 CA VAL A 21 -2.321 -6.379 1.210 1.00 0.00 C ATOM 355 C VAL A 21 -1.643 -5.554 2.310 1.00 0.00 C ATOM 356 O VAL A 21 -1.918 -5.726 3.483 1.00 0.00 O ATOM 357 CB VAL A 21 -3.645 -6.967 1.709 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.603 -5.833 2.088 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.282 -7.812 0.601 1.00 0.00 C ATOM 0 H VAL A 21 -1.547 -8.347 1.508 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.473 -5.713 0.361 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.452 -7.591 2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.544 -6.255 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.156 -5.228 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.791 -5.209 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.224 -8.229 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.470 -7.186 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.606 -8.622 0.327 1.00 0.00 H new ATOM 369 N GLY A 22 -0.765 -4.659 1.935 1.00 0.00 N ATOM 370 CA GLY A 22 -0.071 -3.813 2.949 1.00 0.00 C ATOM 371 C GLY A 22 -0.972 -2.642 3.344 1.00 0.00 C ATOM 372 O GLY A 22 -1.889 -2.285 2.627 1.00 0.00 O ATOM 0 H GLY A 22 -0.499 -4.478 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.174 -4.409 3.828 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.870 -3.440 2.544 1.00 0.00 H new ATOM 376 N THR A 23 -0.694 -2.020 4.461 1.00 0.00 N ATOM 377 CA THR A 23 -1.502 -0.839 4.890 1.00 0.00 C ATOM 378 C THR A 23 -0.708 0.452 4.677 1.00 0.00 C ATOM 379 O THR A 23 0.480 0.508 4.936 1.00 0.00 O ATOM 380 CB THR A 23 -1.773 -1.064 6.378 1.00 0.00 C ATOM 381 OG1 THR A 23 -2.172 -2.412 6.587 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.884 -0.122 6.845 1.00 0.00 C ATOM 0 H THR A 23 0.060 -2.280 5.096 1.00 0.00 H new ATOM 0 HA THR A 23 -2.425 -0.740 4.318 1.00 0.00 H new ATOM 0 HB THR A 23 -0.866 -0.861 6.947 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.344 -2.558 7.541 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.076 -0.284 7.906 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.576 0.911 6.685 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.793 -0.322 6.277 1.00 0.00 H new ATOM 390 N VAL A 24 -1.363 1.495 4.235 1.00 0.00 N ATOM 391 CA VAL A 24 -0.658 2.799 4.032 1.00 0.00 C ATOM 392 C VAL A 24 -0.474 3.507 5.379 1.00 0.00 C ATOM 393 O VAL A 24 -1.410 3.662 6.141 1.00 0.00 O ATOM 394 CB VAL A 24 -1.575 3.612 3.112 1.00 0.00 C ATOM 395 CG1 VAL A 24 -0.940 4.976 2.826 1.00 0.00 C ATOM 396 CG2 VAL A 24 -1.773 2.864 1.791 1.00 0.00 C ATOM 0 H VAL A 24 -2.357 1.501 4.005 1.00 0.00 H new ATOM 0 HA VAL A 24 0.334 2.673 3.599 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.539 3.752 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.594 5.552 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.798 5.515 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.025 4.833 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.425 3.444 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.808 2.722 1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.227 1.893 1.987 1.00 0.00 H new ATOM 406 N ALA A 25 0.723 3.955 5.663 1.00 0.00 N ATOM 407 CA ALA A 25 0.974 4.676 6.946 1.00 0.00 C ATOM 408 C ALA A 25 0.754 6.179 6.760 1.00 0.00 C ATOM 409 O ALA A 25 0.034 6.807 7.514 1.00 0.00 O ATOM 410 CB ALA A 25 2.436 4.386 7.284 1.00 0.00 C ATOM 0 H ALA A 25 1.539 3.852 5.059 1.00 0.00 H new ATOM 0 HA ALA A 25 0.300 4.353 7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.699 4.883 8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.578 3.311 7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.075 4.757 6.483 1.00 0.00 H new ATOM 416 N SER A 26 1.349 6.752 5.745 1.00 0.00 N ATOM 417 CA SER A 26 1.156 8.209 5.482 1.00 0.00 C ATOM 418 C SER A 26 1.693 8.572 4.094 1.00 0.00 C ATOM 419 O SER A 26 2.559 7.904 3.561 1.00 0.00 O ATOM 420 CB SER A 26 1.962 8.919 6.569 1.00 0.00 C ATOM 421 OG SER A 26 1.114 9.199 7.674 1.00 0.00 O ATOM 0 H SER A 26 1.962 6.272 5.086 1.00 0.00 H new ATOM 0 HA SER A 26 0.104 8.495 5.501 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.797 8.294 6.886 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.386 9.844 6.178 1.00 0.00 H new ATOM 0 HG SER A 26 0.413 8.516 7.730 1.00 0.00 H new ATOM 427 N VAL A 27 1.205 9.644 3.522 1.00 0.00 N ATOM 428 CA VAL A 27 1.707 10.082 2.185 1.00 0.00 C ATOM 429 C VAL A 27 2.547 11.355 2.333 1.00 0.00 C ATOM 430 O VAL A 27 2.096 12.344 2.879 1.00 0.00 O ATOM 431 CB VAL A 27 0.449 10.355 1.353 1.00 0.00 C ATOM 432 CG1 VAL A 27 0.850 10.804 -0.056 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.388 9.076 1.252 1.00 0.00 C ATOM 0 H VAL A 27 0.479 10.236 3.925 1.00 0.00 H new ATOM 0 HA VAL A 27 2.344 9.333 1.715 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.135 11.139 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.046 10.997 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.446 11.715 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.437 10.020 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.282 9.272 0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.200 8.293 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.678 8.751 2.251 1.00 0.00 H new ATOM 443 N ASP A 28 3.760 11.336 1.838 1.00 0.00 N ATOM 444 CA ASP A 28 4.632 12.545 1.934 1.00 0.00 C ATOM 445 C ASP A 28 4.755 13.218 0.564 1.00 0.00 C ATOM 446 O ASP A 28 5.292 12.650 -0.369 1.00 0.00 O ATOM 447 CB ASP A 28 5.990 12.017 2.396 1.00 0.00 C ATOM 448 CG ASP A 28 6.870 13.189 2.837 1.00 0.00 C ATOM 449 OD1 ASP A 28 6.644 13.698 3.922 1.00 0.00 O ATOM 450 OD2 ASP A 28 7.756 13.556 2.083 1.00 0.00 O ATOM 0 H ASP A 28 4.183 10.534 1.371 1.00 0.00 H new ATOM 0 HA ASP A 28 4.230 13.291 2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.858 11.317 3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.474 11.469 1.587 1.00 0.00 H new ATOM 455 N GLN A 29 4.303 14.442 0.453 1.00 0.00 N ATOM 456 CA GLN A 29 4.437 15.181 -0.838 1.00 0.00 C ATOM 457 C GLN A 29 5.838 15.789 -0.956 1.00 0.00 C ATOM 458 O GLN A 29 6.035 16.965 -0.713 1.00 0.00 O ATOM 459 CB GLN A 29 3.378 16.282 -0.775 1.00 0.00 C ATOM 460 CG GLN A 29 2.041 15.733 -1.275 1.00 0.00 C ATOM 461 CD GLN A 29 1.134 16.894 -1.689 1.00 0.00 C ATOM 462 OE1 GLN A 29 1.467 17.655 -2.576 1.00 0.00 O ATOM 463 NE2 GLN A 29 -0.007 17.064 -1.079 1.00 0.00 N ATOM 0 H GLN A 29 3.846 14.962 1.203 1.00 0.00 H new ATOM 0 HA GLN A 29 4.299 14.532 -1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.275 16.644 0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.685 17.132 -1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.204 15.065 -2.121 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.562 15.145 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.287 16.426 -0.334 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.619 17.835 -1.347 1.00 0.00 H new ATOM 472 N SER A 30 6.809 14.993 -1.328 1.00 0.00 N ATOM 473 CA SER A 30 8.201 15.515 -1.468 1.00 0.00 C ATOM 474 C SER A 30 8.813 15.041 -2.789 1.00 0.00 C ATOM 475 O SER A 30 8.109 14.655 -3.704 1.00 0.00 O ATOM 476 CB SER A 30 8.964 14.928 -0.281 1.00 0.00 C ATOM 477 OG SER A 30 10.290 15.441 -0.277 1.00 0.00 O ATOM 0 H SER A 30 6.696 14.002 -1.541 1.00 0.00 H new ATOM 0 HA SER A 30 8.236 16.604 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.460 15.182 0.652 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.982 13.840 -0.347 1.00 0.00 H new ATOM 0 HG SER A 30 10.928 14.699 -0.335 1.00 0.00 H new ATOM 483 N GLY A 31 10.118 15.045 -2.883 1.00 0.00 N ATOM 484 CA GLY A 31 10.787 14.569 -4.129 1.00 0.00 C ATOM 485 C GLY A 31 11.101 13.078 -4.004 1.00 0.00 C ATOM 486 O GLY A 31 12.200 12.640 -4.292 1.00 0.00 O ATOM 0 H GLY A 31 10.751 15.359 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.142 14.744 -4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.705 15.131 -4.299 1.00 0.00 H new ATOM 490 N ILE A 32 10.128 12.288 -3.624 1.00 0.00 N ATOM 491 CA ILE A 32 10.344 10.813 -3.533 1.00 0.00 C ATOM 492 C ILE A 32 9.558 10.092 -4.635 1.00 0.00 C ATOM 493 O ILE A 32 8.487 10.519 -5.022 1.00 0.00 O ATOM 494 CB ILE A 32 9.831 10.412 -2.145 1.00 0.00 C ATOM 495 CG1 ILE A 32 8.354 10.799 -2.000 1.00 0.00 C ATOM 496 CG2 ILE A 32 10.649 11.132 -1.072 1.00 0.00 C ATOM 497 CD1 ILE A 32 7.762 10.103 -0.773 1.00 0.00 C ATOM 0 H ILE A 32 9.191 12.603 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 32 11.392 10.543 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 32 9.933 9.333 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.259 11.880 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.802 10.512 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.285 10.847 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.698 10.853 -1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 32 10.548 12.210 -1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.712 10.378 -0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.844 9.023 -0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.307 10.412 0.119 1.00 0.00 H new ATOM 509 N LYS A 33 10.124 9.053 -5.193 1.00 0.00 N ATOM 510 CA LYS A 33 9.457 8.354 -6.336 1.00 0.00 C ATOM 511 C LYS A 33 8.216 7.596 -5.850 1.00 0.00 C ATOM 512 O LYS A 33 7.260 7.424 -6.583 1.00 0.00 O ATOM 513 CB LYS A 33 10.507 7.383 -6.890 1.00 0.00 C ATOM 514 CG LYS A 33 10.945 6.401 -5.795 1.00 0.00 C ATOM 515 CD LYS A 33 12.459 6.180 -5.877 1.00 0.00 C ATOM 516 CE LYS A 33 12.800 5.447 -7.176 1.00 0.00 C ATOM 517 NZ LYS A 33 14.056 6.087 -7.659 1.00 0.00 N ATOM 0 H LYS A 33 11.020 8.657 -4.908 1.00 0.00 H new ATOM 0 HA LYS A 33 9.117 9.054 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.096 6.835 -7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.370 7.939 -7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.677 6.792 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.422 5.452 -5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.979 7.137 -5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.799 5.599 -5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.942 4.380 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.999 5.547 -7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.355 5.638 -8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.889 7.100 -7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.802 5.970 -6.944 1.00 0.00 H new ATOM 531 N TYR A 34 8.197 7.205 -4.599 1.00 0.00 N ATOM 532 CA TYR A 34 6.987 6.531 -4.038 1.00 0.00 C ATOM 533 C TYR A 34 6.337 7.417 -2.963 1.00 0.00 C ATOM 534 O TYR A 34 6.688 7.329 -1.804 1.00 0.00 O ATOM 535 CB TYR A 34 7.505 5.230 -3.420 1.00 0.00 C ATOM 536 CG TYR A 34 8.106 4.356 -4.497 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.372 4.052 -5.651 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.401 3.847 -4.339 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.932 3.241 -6.645 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.962 3.037 -5.333 1.00 0.00 C ATOM 541 CZ TYR A 34 9.228 2.734 -6.486 1.00 0.00 C ATOM 542 OH TYR A 34 9.780 1.935 -7.466 1.00 0.00 O ATOM 0 H TYR A 34 8.968 7.324 -3.942 1.00 0.00 H new ATOM 0 HA TYR A 34 6.229 6.346 -4.799 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.253 5.451 -2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.690 4.703 -2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.373 4.444 -5.774 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.967 4.080 -3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.365 3.006 -7.534 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.961 2.646 -5.211 1.00 0.00 H new ATOM 0 HH TYR A 34 10.747 1.864 -7.324 1.00 0.00 H new ATOM 552 N PRO A 35 5.402 8.252 -3.377 1.00 0.00 N ATOM 553 CA PRO A 35 4.707 9.158 -2.417 1.00 0.00 C ATOM 554 C PRO A 35 4.126 8.370 -1.235 1.00 0.00 C ATOM 555 O PRO A 35 4.082 8.857 -0.121 1.00 0.00 O ATOM 556 CB PRO A 35 3.586 9.774 -3.250 1.00 0.00 C ATOM 557 CG PRO A 35 4.061 9.683 -4.663 1.00 0.00 C ATOM 558 CD PRO A 35 4.907 8.442 -4.753 1.00 0.00 C ATOM 0 HA PRO A 35 5.377 9.900 -1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.649 9.234 -3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.402 10.809 -2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.218 9.628 -5.352 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.639 10.566 -4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.325 7.585 -5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.728 8.568 -5.459 1.00 0.00 H new ATOM 566 N VAL A 36 3.560 7.219 -1.500 1.00 0.00 N ATOM 567 CA VAL A 36 2.839 6.470 -0.426 1.00 0.00 C ATOM 568 C VAL A 36 3.784 5.466 0.241 1.00 0.00 C ATOM 569 O VAL A 36 4.369 4.622 -0.413 1.00 0.00 O ATOM 570 CB VAL A 36 1.693 5.744 -1.142 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.871 4.948 -0.125 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.787 6.768 -1.831 1.00 0.00 C ATOM 0 H VAL A 36 3.566 6.766 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 36 2.470 7.128 0.360 1.00 0.00 H new ATOM 0 HB VAL A 36 2.110 5.065 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.058 4.434 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.511 4.215 0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.458 5.627 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.027 6.250 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.375 7.449 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.367 7.335 -2.559 1.00 0.00 H new ATOM 582 N ILE A 37 3.868 5.497 1.547 1.00 0.00 N ATOM 583 CA ILE A 37 4.691 4.487 2.276 1.00 0.00 C ATOM 584 C ILE A 37 3.800 3.332 2.749 1.00 0.00 C ATOM 585 O ILE A 37 2.789 3.542 3.391 1.00 0.00 O ATOM 586 CB ILE A 37 5.285 5.241 3.472 1.00 0.00 C ATOM 587 CG1 ILE A 37 6.152 6.401 2.969 1.00 0.00 C ATOM 588 CG2 ILE A 37 6.150 4.291 4.306 1.00 0.00 C ATOM 589 CD1 ILE A 37 6.027 7.586 3.928 1.00 0.00 C ATOM 0 H ILE A 37 3.400 6.181 2.141 1.00 0.00 H new ATOM 0 HA ILE A 37 5.470 4.053 1.649 1.00 0.00 H new ATOM 0 HB ILE A 37 4.473 5.629 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.193 6.086 2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.838 6.696 1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.570 4.831 5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.538 3.465 4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.959 3.899 3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.644 8.410 3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.986 7.906 3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.362 7.287 4.921 1.00 0.00 H new ATOM 601 N VAL A 38 4.166 2.118 2.423 1.00 0.00 N ATOM 602 CA VAL A 38 3.338 0.944 2.836 1.00 0.00 C ATOM 603 C VAL A 38 4.043 0.173 3.957 1.00 0.00 C ATOM 604 O VAL A 38 5.249 0.011 3.946 1.00 0.00 O ATOM 605 CB VAL A 38 3.215 0.077 1.577 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.367 -1.160 1.883 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.542 0.884 0.462 1.00 0.00 C ATOM 0 H VAL A 38 5.004 1.889 1.888 1.00 0.00 H new ATOM 0 HA VAL A 38 2.361 1.240 3.219 1.00 0.00 H new ATOM 0 HB VAL A 38 4.210 -0.232 1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.282 -1.774 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.841 -1.739 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.373 -0.849 2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.455 0.267 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.549 1.195 0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.143 1.765 0.238 1.00 0.00 H new ATOM 617 N ARG A 39 3.290 -0.345 4.895 1.00 0.00 N ATOM 618 CA ARG A 39 3.900 -1.157 5.989 1.00 0.00 C ATOM 619 C ARG A 39 3.530 -2.633 5.819 1.00 0.00 C ATOM 620 O ARG A 39 2.421 -2.965 5.447 1.00 0.00 O ATOM 621 CB ARG A 39 3.298 -0.599 7.279 1.00 0.00 C ATOM 622 CG ARG A 39 4.298 -0.767 8.425 1.00 0.00 C ATOM 623 CD ARG A 39 3.542 -1.030 9.730 1.00 0.00 C ATOM 624 NE ARG A 39 4.302 -0.279 10.778 1.00 0.00 N ATOM 625 CZ ARG A 39 4.194 -0.586 12.057 1.00 0.00 C ATOM 626 NH1 ARG A 39 3.384 -1.532 12.472 1.00 0.00 N ATOM 627 NH2 ARG A 39 4.910 0.068 12.930 1.00 0.00 N ATOM 0 H ARG A 39 2.277 -0.240 4.949 1.00 0.00 H new ATOM 0 HA ARG A 39 4.988 -1.100 5.989 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.050 0.455 7.151 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.369 -1.119 7.514 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.975 -1.594 8.212 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.910 0.130 8.522 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.511 -0.682 9.665 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.506 -2.096 9.957 1.00 0.00 H new ATOM 0 HE ARG A 39 4.916 0.486 10.498 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.818 -2.050 11.800 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.320 -1.749 13.467 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.543 0.806 12.621 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.837 -0.158 13.922 1.00 0.00 H new ATOM 641 N PHE A 40 4.450 -3.520 6.107 1.00 0.00 N ATOM 642 CA PHE A 40 4.156 -4.979 5.984 1.00 0.00 C ATOM 643 C PHE A 40 4.353 -5.674 7.334 1.00 0.00 C ATOM 644 O PHE A 40 4.862 -5.090 8.273 1.00 0.00 O ATOM 645 CB PHE A 40 5.165 -5.502 4.961 1.00 0.00 C ATOM 646 CG PHE A 40 4.919 -4.841 3.626 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.695 -5.020 2.970 1.00 0.00 C ATOM 648 CD2 PHE A 40 5.915 -4.048 3.044 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.468 -4.408 1.733 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.688 -3.434 1.807 1.00 0.00 C ATOM 651 CZ PHE A 40 4.464 -3.615 1.151 1.00 0.00 C ATOM 0 H PHE A 40 5.393 -3.295 6.423 1.00 0.00 H new ATOM 0 HA PHE A 40 3.128 -5.168 5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.181 -5.296 5.299 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.074 -6.584 4.865 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.926 -5.631 3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.859 -3.910 3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.524 -4.547 1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.456 -2.821 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.288 -3.143 0.196 1.00 0.00 H new ATOM 661 N GLU A 41 4.001 -6.932 7.419 1.00 0.00 N ATOM 662 CA GLU A 41 4.218 -7.693 8.686 1.00 0.00 C ATOM 663 C GLU A 41 5.320 -8.739 8.493 1.00 0.00 C ATOM 664 O GLU A 41 6.018 -9.095 9.425 1.00 0.00 O ATOM 665 CB GLU A 41 2.878 -8.370 8.975 1.00 0.00 C ATOM 666 CG GLU A 41 1.820 -7.307 9.272 1.00 0.00 C ATOM 667 CD GLU A 41 1.113 -6.913 7.974 1.00 0.00 C ATOM 668 OE1 GLU A 41 0.248 -7.659 7.545 1.00 0.00 O ATOM 669 OE2 GLU A 41 1.448 -5.875 7.430 1.00 0.00 O ATOM 0 H GLU A 41 3.572 -7.466 6.663 1.00 0.00 H new ATOM 0 HA GLU A 41 4.534 -7.049 9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.572 -8.973 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.977 -9.047 9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.096 -7.690 9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.286 -6.432 9.725 1.00 0.00 H new ATOM 676 N LYS A 42 5.480 -9.229 7.291 1.00 0.00 N ATOM 677 CA LYS A 42 6.538 -10.249 7.025 1.00 0.00 C ATOM 678 C LYS A 42 7.822 -9.569 6.545 1.00 0.00 C ATOM 679 O LYS A 42 7.836 -8.387 6.255 1.00 0.00 O ATOM 680 CB LYS A 42 5.960 -11.141 5.925 1.00 0.00 C ATOM 681 CG LYS A 42 6.713 -12.473 5.899 1.00 0.00 C ATOM 682 CD LYS A 42 5.866 -13.525 5.181 1.00 0.00 C ATOM 683 CE LYS A 42 6.118 -14.898 5.807 1.00 0.00 C ATOM 684 NZ LYS A 42 5.020 -15.078 6.796 1.00 0.00 N ATOM 0 H LYS A 42 4.921 -8.966 6.479 1.00 0.00 H new ATOM 0 HA LYS A 42 6.796 -10.818 7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.899 -11.315 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.044 -10.645 4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.669 -12.352 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.932 -12.799 6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.809 -13.268 5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.116 -13.546 4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.102 -15.685 5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.094 -14.938 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.125 -15.999 7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.064 -14.319 7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.103 -15.042 6.307 1.00 0.00 H new ATOM 698 N VAL A 43 8.881 -10.324 6.398 1.00 0.00 N ATOM 699 CA VAL A 43 10.152 -9.745 5.861 1.00 0.00 C ATOM 700 C VAL A 43 10.509 -10.401 4.522 1.00 0.00 C ATOM 701 O VAL A 43 9.759 -11.201 3.995 1.00 0.00 O ATOM 702 CB VAL A 43 11.216 -10.056 6.920 1.00 0.00 C ATOM 703 CG1 VAL A 43 10.840 -9.372 8.236 1.00 0.00 C ATOM 704 CG2 VAL A 43 11.308 -11.570 7.144 1.00 0.00 C ATOM 0 H VAL A 43 8.921 -11.317 6.627 1.00 0.00 H new ATOM 0 HA VAL A 43 10.070 -8.674 5.675 1.00 0.00 H new ATOM 0 HB VAL A 43 12.181 -9.686 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.596 -9.593 8.990 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.784 -8.294 8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.872 -9.741 8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.066 -11.781 7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.343 -11.947 7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.580 -12.060 6.209 1.00 0.00 H new ATOM 714 N ASN A 44 11.666 -10.094 3.992 1.00 0.00 N ATOM 715 CA ASN A 44 12.100 -10.727 2.710 1.00 0.00 C ATOM 716 C ASN A 44 13.404 -11.505 2.917 1.00 0.00 C ATOM 717 O ASN A 44 13.797 -11.786 4.034 1.00 0.00 O ATOM 718 CB ASN A 44 12.308 -9.562 1.735 1.00 0.00 C ATOM 719 CG ASN A 44 13.358 -8.592 2.290 1.00 0.00 C ATOM 720 OD1 ASN A 44 14.525 -8.694 1.969 1.00 0.00 O ATOM 721 ND2 ASN A 44 12.989 -7.651 3.114 1.00 0.00 N ATOM 0 H ASN A 44 12.330 -9.431 4.393 1.00 0.00 H new ATOM 0 HA ASN A 44 11.366 -11.439 2.333 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.629 -9.942 0.765 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.366 -9.038 1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.680 -7.001 3.489 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.009 -7.565 3.384 1.00 0.00 H new ATOM 728 N TYR A 45 14.073 -11.852 1.847 1.00 0.00 N ATOM 729 CA TYR A 45 15.355 -12.615 1.973 1.00 0.00 C ATOM 730 C TYR A 45 16.403 -11.771 2.703 1.00 0.00 C ATOM 731 O TYR A 45 17.284 -12.295 3.359 1.00 0.00 O ATOM 732 CB TYR A 45 15.800 -12.895 0.536 1.00 0.00 C ATOM 733 CG TYR A 45 14.782 -13.779 -0.144 1.00 0.00 C ATOM 734 CD1 TYR A 45 14.643 -15.117 0.245 1.00 0.00 C ATOM 735 CD2 TYR A 45 13.973 -13.260 -1.163 1.00 0.00 C ATOM 736 CE1 TYR A 45 13.699 -15.935 -0.385 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.028 -14.078 -1.793 1.00 0.00 C ATOM 738 CZ TYR A 45 12.891 -15.416 -1.405 1.00 0.00 C ATOM 739 OH TYR A 45 11.961 -16.223 -2.025 1.00 0.00 O ATOM 0 H TYR A 45 13.788 -11.641 0.891 1.00 0.00 H new ATOM 0 HA TYR A 45 15.230 -13.534 2.545 1.00 0.00 H new ATOM 0 HB2 TYR A 45 15.908 -11.959 -0.012 1.00 0.00 H new ATOM 0 HB3 TYR A 45 16.777 -13.379 0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 45 15.265 -15.518 1.032 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.079 -12.228 -1.463 1.00 0.00 H new ATOM 0 HE1 TYR A 45 13.593 -16.967 -0.085 1.00 0.00 H new ATOM 0 HE2 TYR A 45 12.405 -13.677 -2.578 1.00 0.00 H new ATOM 0 HH TYR A 45 11.484 -15.707 -2.708 1.00 0.00 H new ATOM 749 N SER A 46 16.313 -10.469 2.591 1.00 0.00 N ATOM 750 CA SER A 46 17.303 -9.584 3.273 1.00 0.00 C ATOM 751 C SER A 46 16.892 -9.355 4.731 1.00 0.00 C ATOM 752 O SER A 46 17.597 -9.733 5.649 1.00 0.00 O ATOM 753 CB SER A 46 17.265 -8.271 2.494 1.00 0.00 C ATOM 754 OG SER A 46 17.230 -8.553 1.101 1.00 0.00 O ATOM 0 H SER A 46 15.595 -9.981 2.055 1.00 0.00 H new ATOM 0 HA SER A 46 18.302 -10.019 3.289 1.00 0.00 H new ATOM 0 HB2 SER A 46 16.389 -7.689 2.781 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.141 -7.667 2.733 1.00 0.00 H new ATOM 0 HG SER A 46 16.299 -8.639 0.808 1.00 0.00 H new ATOM 760 N GLY A 47 15.751 -8.751 4.947 1.00 0.00 N ATOM 761 CA GLY A 47 15.278 -8.508 6.341 1.00 0.00 C ATOM 762 C GLY A 47 14.788 -7.064 6.470 1.00 0.00 C ATOM 763 O GLY A 47 15.434 -6.234 7.081 1.00 0.00 O ATOM 0 H GLY A 47 15.126 -8.415 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.473 -9.200 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.087 -8.693 7.048 1.00 0.00 H new ATOM 767 N ILE A 55 13.638 -6.769 5.921 1.00 0.00 N ATOM 768 CA ILE A 55 13.080 -5.387 6.030 1.00 0.00 C ATOM 769 C ILE A 55 11.635 -5.445 6.535 1.00 0.00 C ATOM 770 O ILE A 55 11.025 -6.497 6.575 1.00 0.00 O ATOM 771 CB ILE A 55 13.137 -4.818 4.608 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.588 -4.800 4.118 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.588 -3.389 4.600 1.00 0.00 C ATOM 774 CD1 ILE A 55 14.613 -4.616 2.601 1.00 0.00 C ATOM 0 H ILE A 55 13.059 -7.428 5.400 1.00 0.00 H new ATOM 0 HA ILE A 55 13.638 -4.768 6.733 1.00 0.00 H new ATOM 0 HB ILE A 55 12.535 -5.445 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.136 -3.992 4.602 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.086 -5.730 4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.631 -2.989 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.554 -3.395 4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.188 -2.765 5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.646 -4.603 2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.080 -5.440 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.131 -3.674 2.341 1.00 0.00 H new ATOM 786 N ASN A 56 11.097 -4.325 6.951 1.00 0.00 N ATOM 787 CA ASN A 56 9.704 -4.314 7.493 1.00 0.00 C ATOM 788 C ASN A 56 8.853 -3.272 6.756 1.00 0.00 C ATOM 789 O ASN A 56 7.680 -3.483 6.511 1.00 0.00 O ATOM 790 CB ASN A 56 9.851 -3.947 8.976 1.00 0.00 C ATOM 791 CG ASN A 56 10.545 -2.587 9.115 1.00 0.00 C ATOM 792 OD1 ASN A 56 9.862 -1.560 9.539 1.00 0.00 O flip ATOM 793 ND2 ASN A 56 11.721 -2.462 8.835 1.00 0.00 N flip ATOM 0 H ASN A 56 11.563 -3.418 6.938 1.00 0.00 H new ATOM 0 HA ASN A 56 9.205 -5.275 7.363 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.870 -3.914 9.450 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.428 -4.713 9.493 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.255 -3.266 8.503 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.174 -1.553 8.932 1.00 0.00 H new ATOM 800 N THR A 57 9.422 -2.132 6.456 1.00 0.00 N ATOM 801 CA THR A 57 8.634 -1.048 5.794 1.00 0.00 C ATOM 802 C THR A 57 9.306 -0.626 4.485 1.00 0.00 C ATOM 803 O THR A 57 10.515 -0.674 4.356 1.00 0.00 O ATOM 804 CB THR A 57 8.637 0.109 6.794 1.00 0.00 C ATOM 805 OG1 THR A 57 9.937 0.251 7.348 1.00 0.00 O ATOM 806 CG2 THR A 57 7.633 -0.178 7.912 1.00 0.00 C ATOM 0 H THR A 57 10.399 -1.905 6.641 1.00 0.00 H new ATOM 0 HA THR A 57 7.623 -1.369 5.542 1.00 0.00 H new ATOM 0 HB THR A 57 8.356 1.031 6.284 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.006 -0.289 8.163 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.636 0.647 8.624 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.635 -0.286 7.486 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.911 -1.100 8.423 1.00 0.00 H new ATOM 814 N ASN A 58 8.534 -0.149 3.541 1.00 0.00 N ATOM 815 CA ASN A 58 9.125 0.356 2.266 1.00 0.00 C ATOM 816 C ASN A 58 8.282 1.508 1.713 1.00 0.00 C ATOM 817 O ASN A 58 7.430 2.046 2.395 1.00 0.00 O ATOM 818 CB ASN A 58 9.091 -0.840 1.312 1.00 0.00 C ATOM 819 CG ASN A 58 10.454 -1.537 1.314 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.875 -2.069 2.322 1.00 0.00 O ATOM 821 ND2 ASN A 58 11.164 -1.558 0.220 1.00 0.00 N ATOM 0 H ASN A 58 7.518 -0.088 3.599 1.00 0.00 H new ATOM 0 HA ASN A 58 10.136 0.739 2.403 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.313 -1.540 1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.843 -0.507 0.304 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.073 -2.021 0.211 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.810 -1.111 -0.626 1.00 0.00 H new ATOM 828 N ASN A 59 8.518 1.890 0.484 1.00 0.00 N ATOM 829 CA ASN A 59 7.736 3.011 -0.121 1.00 0.00 C ATOM 830 C ASN A 59 7.188 2.597 -1.490 1.00 0.00 C ATOM 831 O ASN A 59 7.906 2.070 -2.320 1.00 0.00 O ATOM 832 CB ASN A 59 8.737 4.158 -0.268 1.00 0.00 C ATOM 833 CG ASN A 59 9.249 4.571 1.112 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.831 3.774 1.821 1.00 0.00 O ATOM 835 ND2 ASN A 59 9.055 5.793 1.529 1.00 0.00 N ATOM 0 H ASN A 59 9.220 1.473 -0.128 1.00 0.00 H new ATOM 0 HA ASN A 59 6.879 3.294 0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.570 3.848 -0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.263 5.007 -0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.392 6.078 2.449 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.567 6.463 0.935 1.00 0.00 H new ATOM 842 N PHE A 60 5.925 2.839 -1.731 1.00 0.00 N ATOM 843 CA PHE A 60 5.323 2.472 -3.048 1.00 0.00 C ATOM 844 C PHE A 60 4.525 3.650 -3.613 1.00 0.00 C ATOM 845 O PHE A 60 4.024 4.479 -2.877 1.00 0.00 O ATOM 846 CB PHE A 60 4.394 1.294 -2.746 1.00 0.00 C ATOM 847 CG PHE A 60 5.203 0.131 -2.224 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.620 0.112 -0.888 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.536 -0.929 -3.076 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.370 -0.966 -0.403 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.285 -2.008 -2.590 1.00 0.00 C ATOM 852 CZ PHE A 60 6.702 -2.025 -1.254 1.00 0.00 C ATOM 0 H PHE A 60 5.283 3.276 -1.070 1.00 0.00 H new ATOM 0 HA PHE A 60 6.080 2.216 -3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.645 1.588 -2.011 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.857 1.001 -3.648 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.363 0.930 -0.231 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.215 -0.915 -4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.692 -0.980 0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.541 -2.827 -3.246 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.281 -2.857 -0.880 1.00 0.00 H new ATOM 862 N ALA A 61 4.331 3.678 -4.907 1.00 0.00 N ATOM 863 CA ALA A 61 3.477 4.740 -5.519 1.00 0.00 C ATOM 864 C ALA A 61 1.997 4.382 -5.362 1.00 0.00 C ATOM 865 O ALA A 61 1.623 3.225 -5.410 1.00 0.00 O ATOM 866 CB ALA A 61 3.870 4.763 -6.996 1.00 0.00 C ATOM 0 H ALA A 61 4.728 3.010 -5.567 1.00 0.00 H new ATOM 0 HA ALA A 61 3.621 5.711 -5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.284 5.521 -7.517 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.930 4.998 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.676 3.786 -7.439 1.00 0.00 H new ATOM 872 N GLU A 62 1.153 5.369 -5.197 1.00 0.00 N ATOM 873 CA GLU A 62 -0.312 5.094 -5.063 1.00 0.00 C ATOM 874 C GLU A 62 -0.843 4.399 -6.323 1.00 0.00 C ATOM 875 O GLU A 62 -1.782 3.628 -6.264 1.00 0.00 O ATOM 876 CB GLU A 62 -0.973 6.468 -4.881 1.00 0.00 C ATOM 877 CG GLU A 62 -0.655 7.370 -6.081 1.00 0.00 C ATOM 878 CD GLU A 62 -1.854 7.405 -7.033 1.00 0.00 C ATOM 879 OE1 GLU A 62 -2.539 6.400 -7.131 1.00 0.00 O ATOM 880 OE2 GLU A 62 -2.066 8.437 -7.648 1.00 0.00 O ATOM 0 H GLU A 62 1.414 6.354 -5.149 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.526 4.432 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.052 6.351 -4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.616 6.933 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.421 8.378 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.226 6.998 -6.604 1.00 0.00 H new ATOM 887 N ASP A 63 -0.211 4.626 -7.448 1.00 0.00 N ATOM 888 CA ASP A 63 -0.634 3.929 -8.703 1.00 0.00 C ATOM 889 C ASP A 63 -0.299 2.434 -8.628 1.00 0.00 C ATOM 890 O ASP A 63 -0.894 1.625 -9.314 1.00 0.00 O ATOM 891 CB ASP A 63 0.154 4.607 -9.831 1.00 0.00 C ATOM 892 CG ASP A 63 1.659 4.476 -9.573 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.198 3.417 -9.849 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.246 5.437 -9.105 1.00 0.00 O ATOM 0 H ASP A 63 0.579 5.263 -7.552 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.710 4.000 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.100 4.151 -10.788 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.122 5.660 -9.896 1.00 0.00 H new ATOM 899 N GLU A 64 0.666 2.067 -7.820 1.00 0.00 N ATOM 900 CA GLU A 64 1.061 0.630 -7.721 1.00 0.00 C ATOM 901 C GLU A 64 0.357 -0.038 -6.535 1.00 0.00 C ATOM 902 O GLU A 64 0.836 -1.016 -5.992 1.00 0.00 O ATOM 903 CB GLU A 64 2.574 0.649 -7.500 1.00 0.00 C ATOM 904 CG GLU A 64 3.288 0.698 -8.852 1.00 0.00 C ATOM 905 CD GLU A 64 4.641 1.396 -8.692 1.00 0.00 C ATOM 906 OE1 GLU A 64 4.722 2.309 -7.888 1.00 0.00 O ATOM 907 OE2 GLU A 64 5.572 1.004 -9.378 1.00 0.00 O ATOM 0 H GLU A 64 1.197 2.703 -7.225 1.00 0.00 H new ATOM 0 HA GLU A 64 0.783 0.067 -8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.853 1.514 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.882 -0.238 -6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.431 -0.312 -9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.676 1.231 -9.579 1.00 0.00 H new ATOM 914 N LEU A 65 -0.794 0.459 -6.156 1.00 0.00 N ATOM 915 CA LEU A 65 -1.555 -0.171 -5.036 1.00 0.00 C ATOM 916 C LEU A 65 -3.048 -0.219 -5.372 1.00 0.00 C ATOM 917 O LEU A 65 -3.585 0.689 -5.977 1.00 0.00 O ATOM 918 CB LEU A 65 -1.307 0.734 -3.828 1.00 0.00 C ATOM 919 CG LEU A 65 0.154 0.617 -3.391 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.435 1.624 -2.274 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.422 -0.800 -2.876 1.00 0.00 C ATOM 0 H LEU A 65 -1.239 1.275 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.238 -1.197 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.540 1.768 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.966 0.451 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 65 0.804 0.825 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.476 1.541 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.245 2.634 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.216 1.416 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.463 -0.883 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.228 -1.007 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.222 -1.520 -3.670 1.00 0.00 H new ATOM 933 N VAL A 66 -3.732 -1.241 -4.921 1.00 0.00 N ATOM 934 CA VAL A 66 -5.208 -1.318 -5.140 1.00 0.00 C ATOM 935 C VAL A 66 -5.925 -1.525 -3.801 1.00 0.00 C ATOM 936 O VAL A 66 -5.569 -2.393 -3.026 1.00 0.00 O ATOM 937 CB VAL A 66 -5.416 -2.527 -6.059 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.907 -2.697 -6.360 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.659 -2.310 -7.373 1.00 0.00 C ATOM 0 H VAL A 66 -3.330 -2.027 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.610 -0.405 -5.580 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.040 -3.422 -5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.050 -3.557 -7.014 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.451 -2.854 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.283 -1.800 -6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.808 -3.171 -8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.034 -1.413 -7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.596 -2.192 -7.165 1.00 0.00 H new ATOM 949 N GLU A 67 -6.939 -0.741 -3.534 1.00 0.00 N ATOM 950 CA GLU A 67 -7.696 -0.897 -2.253 1.00 0.00 C ATOM 951 C GLU A 67 -8.505 -2.197 -2.274 1.00 0.00 C ATOM 952 O GLU A 67 -9.325 -2.412 -3.146 1.00 0.00 O ATOM 953 CB GLU A 67 -8.628 0.314 -2.186 1.00 0.00 C ATOM 954 CG GLU A 67 -8.744 0.790 -0.736 1.00 0.00 C ATOM 955 CD GLU A 67 -9.593 -0.203 0.060 1.00 0.00 C ATOM 956 OE1 GLU A 67 -9.042 -1.193 0.513 1.00 0.00 O ATOM 957 OE2 GLU A 67 -10.779 0.043 0.204 1.00 0.00 O ATOM 0 H GLU A 67 -7.276 0.001 -4.148 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.035 -0.946 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.243 1.118 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.612 0.051 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.753 0.877 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.197 1.781 -0.702 1.00 0.00 H new ATOM 964 N VAL A 68 -8.295 -3.051 -1.304 1.00 0.00 N ATOM 965 CA VAL A 68 -9.067 -4.330 -1.244 1.00 0.00 C ATOM 966 C VAL A 68 -9.603 -4.561 0.172 1.00 0.00 C ATOM 967 O VAL A 68 -9.556 -5.661 0.690 1.00 0.00 O ATOM 968 CB VAL A 68 -8.066 -5.426 -1.632 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.584 -5.190 -3.064 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.862 -5.402 -0.681 1.00 0.00 C ATOM 0 H VAL A 68 -7.621 -2.918 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.930 -4.320 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.557 -6.397 -1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.873 -5.968 -3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.436 -5.218 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.100 -4.216 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.158 -6.184 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.370 -4.431 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.202 -5.574 0.340 1.00 0.00 H new ATOM 980 N GLU A 69 -10.135 -3.535 0.789 1.00 0.00 N ATOM 981 CA GLU A 69 -10.703 -3.691 2.161 1.00 0.00 C ATOM 982 C GLU A 69 -12.165 -4.142 2.079 1.00 0.00 C ATOM 983 O GLU A 69 -12.820 -3.967 1.070 1.00 0.00 O ATOM 984 CB GLU A 69 -10.605 -2.301 2.789 1.00 0.00 C ATOM 985 CG GLU A 69 -10.990 -2.381 4.267 1.00 0.00 C ATOM 986 CD GLU A 69 -10.550 -1.100 4.980 1.00 0.00 C ATOM 987 OE1 GLU A 69 -10.761 -0.035 4.424 1.00 0.00 O ATOM 988 OE2 GLU A 69 -10.011 -1.206 6.069 1.00 0.00 O ATOM 0 H GLU A 69 -10.200 -2.595 0.400 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.172 -4.441 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.591 -1.915 2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.264 -1.607 2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.067 -2.513 4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.518 -3.248 4.730 1.00 0.00 H new ATOM 995 N ALA A 70 -12.682 -4.697 3.145 1.00 0.00 N ATOM 996 CA ALA A 70 -14.110 -5.136 3.151 1.00 0.00 C ATOM 997 C ALA A 70 -15.027 -3.952 3.499 1.00 0.00 C ATOM 998 O ALA A 70 -14.572 -2.968 4.047 1.00 0.00 O ATOM 999 CB ALA A 70 -14.189 -6.212 4.234 1.00 0.00 C ATOM 0 H ALA A 70 -12.175 -4.866 4.014 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.431 -5.512 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.210 -6.587 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.517 -7.032 3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.896 -5.785 5.193 1.00 0.00 H new ATOM 1005 N PRO A 71 -16.300 -4.078 3.170 1.00 0.00 N ATOM 1006 CA PRO A 71 -17.275 -2.988 3.462 1.00 0.00 C ATOM 1007 C PRO A 71 -17.219 -2.584 4.941 1.00 0.00 C ATOM 1008 O PRO A 71 -16.545 -3.208 5.738 1.00 0.00 O ATOM 1009 CB PRO A 71 -18.626 -3.618 3.130 1.00 0.00 C ATOM 1010 CG PRO A 71 -18.317 -4.701 2.150 1.00 0.00 C ATOM 1011 CD PRO A 71 -16.948 -5.220 2.500 1.00 0.00 C ATOM 0 HA PRO A 71 -17.074 -2.080 2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -19.105 -4.019 4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -19.310 -2.884 2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -19.059 -5.497 2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -18.337 -4.318 1.130 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.005 -6.089 3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.397 -5.527 1.611 1.00 0.00 H new ATOM 1019 N LYS A 72 -17.948 -1.561 5.312 1.00 0.00 N ATOM 1020 CA LYS A 72 -17.970 -1.129 6.741 1.00 0.00 C ATOM 1021 C LYS A 72 -18.964 -1.981 7.536 1.00 0.00 C ATOM 1022 O LYS A 72 -19.340 -3.060 7.119 1.00 0.00 O ATOM 1023 CB LYS A 72 -18.422 0.331 6.706 1.00 0.00 C ATOM 1024 CG LYS A 72 -17.679 1.123 7.783 1.00 0.00 C ATOM 1025 CD LYS A 72 -18.589 2.225 8.329 1.00 0.00 C ATOM 1026 CE LYS A 72 -17.986 2.798 9.613 1.00 0.00 C ATOM 1027 NZ LYS A 72 -19.156 3.145 10.466 1.00 0.00 N ATOM 0 H LYS A 72 -18.530 -1.006 4.684 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.999 -1.243 7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -18.225 0.760 5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -19.498 0.393 6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.371 0.458 8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.771 1.560 7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.707 3.014 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -19.583 1.824 8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.341 2.070 10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.375 3.676 9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.823 3.545 11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.749 3.844 9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.715 2.288 10.654 1.00 0.00 H new ATOM 1041 N ALA A 73 -19.412 -1.487 8.662 1.00 0.00 N ATOM 1042 CA ALA A 73 -20.410 -2.249 9.475 1.00 0.00 C ATOM 1043 C ALA A 73 -21.703 -2.442 8.679 1.00 0.00 C ATOM 1044 O ALA A 73 -22.059 -1.626 7.850 1.00 0.00 O ATOM 1045 CB ALA A 73 -20.668 -1.387 10.713 1.00 0.00 C ATOM 0 H ALA A 73 -19.130 -0.589 9.054 1.00 0.00 H new ATOM 0 HA ALA A 73 -20.047 -3.241 9.742 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -21.393 -1.884 11.358 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -19.735 -1.245 11.258 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -21.060 -0.418 10.406 1.00 0.00 H new ATOM 1051 N LYS A 74 -22.419 -3.511 8.937 1.00 0.00 N ATOM 1052 CA LYS A 74 -23.710 -3.768 8.215 1.00 0.00 C ATOM 1053 C LYS A 74 -23.505 -3.697 6.690 1.00 0.00 C ATOM 1054 O LYS A 74 -23.777 -2.679 6.084 1.00 0.00 O ATOM 1055 CB LYS A 74 -24.663 -2.663 8.682 1.00 0.00 C ATOM 1056 CG LYS A 74 -25.147 -2.973 10.100 1.00 0.00 C ATOM 1057 CD LYS A 74 -26.119 -1.882 10.557 1.00 0.00 C ATOM 1058 CE LYS A 74 -26.319 -1.978 12.071 1.00 0.00 C ATOM 1059 NZ LYS A 74 -27.034 -3.267 12.283 1.00 0.00 N ATOM 0 H LYS A 74 -22.164 -4.223 9.622 1.00 0.00 H new ATOM 0 HA LYS A 74 -24.103 -4.762 8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -24.156 -1.698 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -25.513 -2.590 8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -25.638 -3.946 10.124 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -24.298 -3.028 10.782 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -25.729 -0.899 10.293 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -27.075 -1.994 10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -25.364 -1.965 12.597 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -26.902 -1.137 12.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -27.459 -3.276 13.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -27.782 -3.371 11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -26.361 -4.055 12.197 1.00 0.00 H new ATOM 1073 N PRO A 75 -23.030 -4.783 6.110 1.00 0.00 N ATOM 1074 CA PRO A 75 -22.796 -4.821 4.638 1.00 0.00 C ATOM 1075 C PRO A 75 -24.056 -4.402 3.869 1.00 0.00 C ATOM 1076 O PRO A 75 -23.978 -3.785 2.823 1.00 0.00 O ATOM 1077 CB PRO A 75 -22.467 -6.287 4.364 1.00 0.00 C ATOM 1078 CG PRO A 75 -21.949 -6.814 5.662 1.00 0.00 C ATOM 1079 CD PRO A 75 -22.665 -6.059 6.750 1.00 0.00 C ATOM 0 HA PRO A 75 -22.008 -4.138 4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -23.351 -6.836 4.039 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -21.723 -6.384 3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -22.135 -7.885 5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -20.871 -6.670 5.736 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -23.546 -6.598 7.098 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -22.024 -5.903 7.617 1.00 0.00 H new ATOM 1087 N LYS A 76 -25.213 -4.710 4.397 1.00 0.00 N ATOM 1088 CA LYS A 76 -26.483 -4.308 3.721 1.00 0.00 C ATOM 1089 C LYS A 76 -26.840 -2.864 4.081 1.00 0.00 C ATOM 1090 O LYS A 76 -26.364 -2.325 5.063 1.00 0.00 O ATOM 1091 CB LYS A 76 -27.541 -5.272 4.261 1.00 0.00 C ATOM 1092 CG LYS A 76 -27.179 -6.704 3.863 1.00 0.00 C ATOM 1093 CD LYS A 76 -28.427 -7.586 3.937 1.00 0.00 C ATOM 1094 CE LYS A 76 -28.011 -9.058 3.982 1.00 0.00 C ATOM 1095 NZ LYS A 76 -29.254 -9.799 4.337 1.00 0.00 N ATOM 0 H LYS A 76 -25.333 -5.224 5.270 1.00 0.00 H new ATOM 0 HA LYS A 76 -26.405 -4.354 2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -27.603 -5.190 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -28.522 -5.010 3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -26.769 -6.719 2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -26.406 -7.093 4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -29.010 -7.335 4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -29.066 -7.404 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -27.617 -9.386 3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -27.227 -9.224 4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -29.049 -10.817 4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -29.602 -9.470 5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -29.980 -9.627 3.612 1.00 0.00 H new ATOM 1109 N LYS A 77 -27.690 -2.243 3.303 1.00 0.00 N ATOM 1110 CA LYS A 77 -28.105 -0.839 3.606 1.00 0.00 C ATOM 1111 C LYS A 77 -29.607 -0.665 3.357 1.00 0.00 C ATOM 1112 O LYS A 77 -30.340 -1.610 3.594 1.00 0.00 O ATOM 1113 CB LYS A 77 -27.289 0.039 2.649 1.00 0.00 C ATOM 1114 CG LYS A 77 -27.577 -0.358 1.196 1.00 0.00 C ATOM 1115 CD LYS A 77 -26.559 0.312 0.272 1.00 0.00 C ATOM 1116 CE LYS A 77 -26.739 -0.213 -1.155 1.00 0.00 C ATOM 1117 NZ LYS A 77 -25.363 -0.259 -1.724 1.00 0.00 N ATOM 1118 OXT LYS A 77 -29.996 0.411 2.934 1.00 0.00 O ATOM 0 H LYS A 77 -28.115 -2.648 2.469 1.00 0.00 H new ATOM 0 HA LYS A 77 -27.925 -0.572 4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -27.539 1.089 2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -26.225 -0.070 2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -27.525 -1.441 1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -28.588 -0.058 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -26.691 1.394 0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -25.547 0.108 0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -27.200 -1.201 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -27.386 0.442 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -25.403 -0.610 -2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -24.952 0.696 -1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -24.772 -0.896 -1.152 1.00 0.00 H new TER 1132 LYS A 77