USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 923 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 89 SER OG : rot 152:sc= 0.327 USER MOD Set 1.2: A 109 TYR OH : rot 80:sc= 0.123 USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= -0.0462 USER MOD Set 2.2: A 52 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 42 LYS NZ :NH3+ -118:sc= -0.828 (180deg=-2.97!) USER MOD Set 3.2: A 118 CYS SG : rot 28:sc= 0.376 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0759 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0171 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 4:sc= 1.1 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00936 USER MOD Single : A 22 TYR OH : rot 30:sc= -0.779 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -137:sc= -2.42! (180deg=-6.26!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.65 K(o=-0.65,f=-6.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -7.55! C(o=-7.5!,f=-8.3!) USER MOD Single : A 46 HIS : no HE2:sc= 0.0424 X(o=0.042,f=-0.21) USER MOD Single : A 47 CYS SG : rot -84:sc= -0.441 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0884 X(o=-0.088,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.75 K(o=-1.7,f=-0.28) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -57:sc= 0.83 USER MOD Single : A 75 SER OG : rot 44:sc= 0.522 USER MOD Single : A 78 ASN : amide:sc= -0.123 K(o=-0.12,f=-0.68) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.272 USER MOD Single : A 83 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.5!) USER MOD Single : A 88 MET CE :methyl -112:sc= -0.167 (180deg=-2.51!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 57:sc= 0.171 USER MOD Single : A 99 ASN : amide:sc= -2.31! K(o=-2.3!,f=-1.7) USER MOD Single : A 104 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.1!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.675 16.708 13.188 1.00 0.00 N ATOM 2 CA GLY A 1 -9.699 17.375 12.347 1.00 0.00 C ATOM 3 C GLY A 1 -9.038 18.547 13.045 1.00 0.00 C ATOM 4 O GLY A 1 -9.312 18.818 14.214 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.301 15.785 13.488 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.868 17.293 14.026 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.556 16.568 12.653 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.935 16.659 12.044 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.187 17.726 11.437 1.00 0.00 H new ATOM 8 N SER A 2 -8.162 19.244 12.327 1.00 0.00 N ATOM 9 CA SER A 2 -7.455 20.390 12.887 1.00 0.00 C ATOM 10 C SER A 2 -6.732 21.169 11.792 1.00 0.00 C ATOM 11 O SER A 2 -6.529 20.666 10.687 1.00 0.00 O ATOM 12 CB SER A 2 -6.454 19.931 13.948 1.00 0.00 C ATOM 13 OG SER A 2 -5.903 21.036 14.643 1.00 0.00 O ATOM 0 H SER A 2 -7.925 19.035 11.357 1.00 0.00 H new ATOM 0 HA SER A 2 -8.190 21.047 13.352 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.948 19.264 14.654 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.655 19.360 13.475 1.00 0.00 H new ATOM 0 HG SER A 2 -5.268 20.715 15.317 1.00 0.00 H new ATOM 19 N SER A 3 -6.345 22.401 12.109 1.00 0.00 N ATOM 20 CA SER A 3 -5.648 23.253 11.152 1.00 0.00 C ATOM 21 C SER A 3 -4.516 24.019 11.831 1.00 0.00 C ATOM 22 O SER A 3 -4.606 24.367 13.007 1.00 0.00 O ATOM 23 CB SER A 3 -6.626 24.234 10.503 1.00 0.00 C ATOM 24 OG SER A 3 -7.264 23.651 9.381 1.00 0.00 O ATOM 0 H SER A 3 -6.502 22.831 13.020 1.00 0.00 H new ATOM 0 HA SER A 3 -5.219 22.615 10.379 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.375 24.541 11.232 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.093 25.134 10.195 1.00 0.00 H new ATOM 0 HG SER A 3 -7.885 24.298 8.985 1.00 0.00 H new ATOM 30 N GLY A 4 -3.450 24.277 11.079 1.00 0.00 N ATOM 31 CA GLY A 4 -2.316 24.999 11.624 1.00 0.00 C ATOM 32 C GLY A 4 -0.990 24.442 11.146 1.00 0.00 C ATOM 33 O GLY A 4 -0.780 23.229 11.155 1.00 0.00 O ATOM 0 H GLY A 4 -3.352 23.999 10.103 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.388 26.049 11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.352 24.958 12.713 1.00 0.00 H new ATOM 37 N SER A 5 -0.093 25.329 10.728 1.00 0.00 N ATOM 38 CA SER A 5 1.218 24.918 10.239 1.00 0.00 C ATOM 39 C SER A 5 2.179 26.102 10.200 1.00 0.00 C ATOM 40 O SER A 5 1.768 27.254 10.336 1.00 0.00 O ATOM 41 CB SER A 5 1.095 24.300 8.844 1.00 0.00 C ATOM 42 OG SER A 5 2.206 23.468 8.556 1.00 0.00 O ATOM 0 H SER A 5 -0.250 26.337 10.718 1.00 0.00 H new ATOM 0 HA SER A 5 1.617 24.171 10.926 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.175 23.719 8.780 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.025 25.091 8.097 1.00 0.00 H new ATOM 0 HG SER A 5 2.103 23.084 7.660 1.00 0.00 H new ATOM 48 N SER A 6 3.462 25.809 10.015 1.00 0.00 N ATOM 49 CA SER A 6 4.484 26.848 9.962 1.00 0.00 C ATOM 50 C SER A 6 5.760 26.323 9.310 1.00 0.00 C ATOM 51 O SER A 6 5.849 25.150 8.950 1.00 0.00 O ATOM 52 CB SER A 6 4.792 27.362 11.370 1.00 0.00 C ATOM 53 OG SER A 6 3.748 28.191 11.850 1.00 0.00 O ATOM 0 H SER A 6 3.819 24.860 9.899 1.00 0.00 H new ATOM 0 HA SER A 6 4.100 27.670 9.358 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.931 26.518 12.046 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.728 27.920 11.360 1.00 0.00 H new ATOM 0 HG SER A 6 3.020 28.212 11.195 1.00 0.00 H new ATOM 59 N GLY A 7 6.746 27.202 9.161 1.00 0.00 N ATOM 60 CA GLY A 7 8.003 26.810 8.552 1.00 0.00 C ATOM 61 C GLY A 7 8.292 27.574 7.275 1.00 0.00 C ATOM 62 O GLY A 7 7.372 27.953 6.549 1.00 0.00 O ATOM 0 H GLY A 7 6.697 28.179 9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.814 26.975 9.262 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.981 25.742 8.336 1.00 0.00 H new ATOM 66 N ARG A 8 9.572 27.802 7.000 1.00 0.00 N ATOM 67 CA ARG A 8 9.979 28.528 5.803 1.00 0.00 C ATOM 68 C ARG A 8 9.536 27.790 4.543 1.00 0.00 C ATOM 69 O ARG A 8 8.718 28.293 3.773 1.00 0.00 O ATOM 70 CB ARG A 8 11.496 28.720 5.788 1.00 0.00 C ATOM 71 CG ARG A 8 11.969 29.906 6.614 1.00 0.00 C ATOM 72 CD ARG A 8 13.346 30.378 6.174 1.00 0.00 C ATOM 73 NE ARG A 8 13.902 31.372 7.088 1.00 0.00 N ATOM 74 CZ ARG A 8 13.559 32.655 7.075 1.00 0.00 C ATOM 75 NH1 ARG A 8 12.667 33.097 6.200 1.00 0.00 N ATOM 76 NH2 ARG A 8 14.109 33.499 7.939 1.00 0.00 N ATOM 0 H ARG A 8 10.345 27.494 7.590 1.00 0.00 H new ATOM 0 HA ARG A 8 9.497 29.505 5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.972 27.814 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.827 28.851 4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.255 30.724 6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.998 29.628 7.668 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.020 29.523 6.114 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.281 30.803 5.172 1.00 0.00 H new ATOM 0 HE ARG A 8 14.591 31.064 7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.242 32.451 5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.405 34.083 6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.796 33.163 8.614 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.845 34.484 7.928 1.00 0.00 H new ATOM 90 N SER A 9 10.083 26.596 4.339 1.00 0.00 N ATOM 91 CA SER A 9 9.749 25.791 3.171 1.00 0.00 C ATOM 92 C SER A 9 9.420 24.357 3.575 1.00 0.00 C ATOM 93 O SER A 9 9.507 23.997 4.749 1.00 0.00 O ATOM 94 CB SER A 9 10.907 25.798 2.171 1.00 0.00 C ATOM 95 OG SER A 9 10.962 27.024 1.463 1.00 0.00 O ATOM 0 H SER A 9 10.760 26.165 4.968 1.00 0.00 H new ATOM 0 HA SER A 9 8.869 26.228 2.700 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.847 25.636 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.789 24.973 1.468 1.00 0.00 H new ATOM 0 HG SER A 9 11.711 27.004 0.832 1.00 0.00 H new ATOM 101 N ILE A 10 9.041 23.545 2.594 1.00 0.00 N ATOM 102 CA ILE A 10 8.700 22.150 2.847 1.00 0.00 C ATOM 103 C ILE A 10 9.464 21.219 1.912 1.00 0.00 C ATOM 104 O ILE A 10 9.721 21.557 0.756 1.00 0.00 O ATOM 105 CB ILE A 10 7.189 21.901 2.679 1.00 0.00 C ATOM 106 CG1 ILE A 10 6.388 22.971 3.424 1.00 0.00 C ATOM 107 CG2 ILE A 10 6.823 20.512 3.181 1.00 0.00 C ATOM 108 CD1 ILE A 10 6.256 24.269 2.658 1.00 0.00 C ATOM 0 H ILE A 10 8.962 23.828 1.617 1.00 0.00 H new ATOM 0 HA ILE A 10 8.983 21.938 3.878 1.00 0.00 H new ATOM 0 HB ILE A 10 6.941 21.960 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.393 22.583 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.867 23.171 4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.752 20.350 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.372 19.763 2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.082 20.427 4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.677 24.981 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.247 24.680 2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.749 24.083 1.711 1.00 0.00 H new ATOM 120 N ARG A 11 9.824 20.045 2.420 1.00 0.00 N ATOM 121 CA ARG A 11 10.559 19.064 1.630 1.00 0.00 C ATOM 122 C ARG A 11 9.658 18.433 0.573 1.00 0.00 C ATOM 123 O ARG A 11 9.995 18.410 -0.612 1.00 0.00 O ATOM 124 CB ARG A 11 11.137 17.977 2.538 1.00 0.00 C ATOM 125 CG ARG A 11 12.434 18.379 3.220 1.00 0.00 C ATOM 126 CD ARG A 11 13.645 18.014 2.375 1.00 0.00 C ATOM 127 NE ARG A 11 14.821 18.802 2.734 1.00 0.00 N ATOM 128 CZ ARG A 11 14.970 20.084 2.422 1.00 0.00 C ATOM 129 NH1 ARG A 11 14.021 20.721 1.750 1.00 0.00 N ATOM 130 NH2 ARG A 11 16.069 20.733 2.785 1.00 0.00 N ATOM 0 H ARG A 11 9.619 19.750 3.375 1.00 0.00 H new ATOM 0 HA ARG A 11 11.377 19.579 1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.400 17.722 3.299 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.310 17.077 1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.430 19.453 3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.504 17.887 4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.867 16.954 2.499 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.412 18.170 1.322 1.00 0.00 H new ATOM 0 HE ARG A 11 15.569 18.342 3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.174 20.226 1.471 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.138 21.706 1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.800 20.247 3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.183 21.718 2.545 1.00 0.00 H new ATOM 144 N LEU A 12 8.512 17.921 1.008 1.00 0.00 N ATOM 145 CA LEU A 12 7.562 17.289 0.099 1.00 0.00 C ATOM 146 C LEU A 12 6.889 18.327 -0.794 1.00 0.00 C ATOM 147 O LEU A 12 6.835 19.515 -0.475 1.00 0.00 O ATOM 148 CB LEU A 12 6.504 16.518 0.891 1.00 0.00 C ATOM 149 CG LEU A 12 6.911 15.127 1.377 1.00 0.00 C ATOM 150 CD1 LEU A 12 5.866 14.567 2.330 1.00 0.00 C ATOM 151 CD2 LEU A 12 7.116 14.189 0.196 1.00 0.00 C ATOM 0 H LEU A 12 8.218 17.931 1.985 1.00 0.00 H new ATOM 0 HA LEU A 12 8.111 16.593 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.221 17.115 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.615 16.418 0.269 1.00 0.00 H new ATOM 0 HG LEU A 12 7.855 15.213 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.173 13.576 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.768 15.228 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.907 14.495 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.405 13.203 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.188 14.109 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.902 14.582 -0.449 1.00 0.00 H new ATOM 163 N PRO A 13 6.362 17.869 -1.939 1.00 0.00 N ATOM 164 CA PRO A 13 5.680 18.741 -2.900 1.00 0.00 C ATOM 165 C PRO A 13 4.343 19.251 -2.374 1.00 0.00 C ATOM 166 O PRO A 13 3.357 18.516 -2.344 1.00 0.00 O ATOM 167 CB PRO A 13 5.466 17.833 -4.113 1.00 0.00 C ATOM 168 CG PRO A 13 5.446 16.452 -3.554 1.00 0.00 C ATOM 169 CD PRO A 13 6.390 16.466 -2.383 1.00 0.00 C ATOM 0 HA PRO A 13 6.260 19.638 -3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.531 18.067 -4.623 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.266 17.953 -4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.440 16.172 -3.241 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.762 15.724 -4.301 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.062 15.788 -1.595 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.394 16.156 -2.673 1.00 0.00 H new ATOM 177 N GLU A 14 4.318 20.514 -1.960 1.00 0.00 N ATOM 178 CA GLU A 14 3.101 21.121 -1.435 1.00 0.00 C ATOM 179 C GLU A 14 1.970 21.045 -2.457 1.00 0.00 C ATOM 180 O GLU A 14 0.792 21.056 -2.099 1.00 0.00 O ATOM 181 CB GLU A 14 3.357 22.580 -1.049 1.00 0.00 C ATOM 182 CG GLU A 14 3.704 23.470 -2.231 1.00 0.00 C ATOM 183 CD GLU A 14 3.849 24.928 -1.840 1.00 0.00 C ATOM 184 OE1 GLU A 14 2.823 25.556 -1.503 1.00 0.00 O ATOM 185 OE2 GLU A 14 4.987 25.440 -1.870 1.00 0.00 O ATOM 0 H GLU A 14 5.126 21.136 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 14 2.803 20.565 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.471 22.977 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.171 22.618 -0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.635 23.124 -2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.929 23.377 -2.991 1.00 0.00 H new ATOM 192 N THR A 15 2.337 20.968 -3.732 1.00 0.00 N ATOM 193 CA THR A 15 1.355 20.892 -4.807 1.00 0.00 C ATOM 194 C THR A 15 0.803 19.478 -4.947 1.00 0.00 C ATOM 195 O THR A 15 0.138 19.156 -5.933 1.00 0.00 O ATOM 196 CB THR A 15 1.961 21.330 -6.153 1.00 0.00 C ATOM 197 OG1 THR A 15 3.229 20.695 -6.350 1.00 0.00 O ATOM 198 CG2 THR A 15 2.132 22.841 -6.203 1.00 0.00 C ATOM 0 H THR A 15 3.307 20.957 -4.046 1.00 0.00 H new ATOM 0 HA THR A 15 0.544 21.572 -4.544 1.00 0.00 H new ATOM 0 HB THR A 15 1.278 21.030 -6.948 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.606 20.978 -7.209 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.562 23.127 -7.163 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.161 23.321 -6.083 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.796 23.159 -5.399 1.00 0.00 H new ATOM 206 N ILE A 16 1.081 18.637 -3.957 1.00 0.00 N ATOM 207 CA ILE A 16 0.610 17.258 -3.970 1.00 0.00 C ATOM 208 C ILE A 16 0.190 16.807 -2.575 1.00 0.00 C ATOM 209 O ILE A 16 0.621 17.375 -1.572 1.00 0.00 O ATOM 210 CB ILE A 16 1.690 16.299 -4.504 1.00 0.00 C ATOM 211 CG1 ILE A 16 2.280 16.836 -5.810 1.00 0.00 C ATOM 212 CG2 ILE A 16 1.109 14.909 -4.711 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.431 16.010 -6.339 1.00 0.00 C ATOM 0 H ILE A 16 1.631 18.887 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.253 17.226 -4.635 1.00 0.00 H new ATOM 0 HB ILE A 16 2.490 16.231 -3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.495 16.875 -6.565 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.621 17.859 -5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.885 14.243 -5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.733 14.527 -3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.292 14.960 -5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.799 16.450 -7.266 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.234 15.992 -5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.091 14.992 -6.530 1.00 0.00 H new ATOM 225 N ASP A 17 -0.652 15.781 -2.520 1.00 0.00 N ATOM 226 CA ASP A 17 -1.128 15.250 -1.248 1.00 0.00 C ATOM 227 C ASP A 17 -1.000 13.730 -1.211 1.00 0.00 C ATOM 228 O ASP A 17 -1.776 13.015 -1.847 1.00 0.00 O ATOM 229 CB ASP A 17 -2.583 15.657 -1.014 1.00 0.00 C ATOM 230 CG ASP A 17 -3.067 15.305 0.379 1.00 0.00 C ATOM 231 OD1 ASP A 17 -3.388 14.120 0.613 1.00 0.00 O ATOM 232 OD2 ASP A 17 -3.123 16.212 1.234 1.00 0.00 O ATOM 0 H ASP A 17 -1.019 15.300 -3.341 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.509 15.668 -0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.686 16.731 -1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.218 15.165 -1.751 1.00 0.00 H new ATOM 237 N LEU A 18 -0.016 13.243 -0.464 1.00 0.00 N ATOM 238 CA LEU A 18 0.215 11.807 -0.345 1.00 0.00 C ATOM 239 C LEU A 18 -1.105 11.046 -0.286 1.00 0.00 C ATOM 240 O LEU A 18 -1.315 10.089 -1.030 1.00 0.00 O ATOM 241 CB LEU A 18 1.046 11.507 0.904 1.00 0.00 C ATOM 242 CG LEU A 18 2.564 11.549 0.726 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.253 11.756 2.067 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.059 10.272 0.062 1.00 0.00 C ATOM 0 H LEU A 18 0.635 13.820 0.068 1.00 0.00 H new ATOM 0 HA LEU A 18 0.763 11.477 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.771 12.222 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.770 10.518 1.270 1.00 0.00 H new ATOM 0 HG LEU A 18 2.812 12.391 0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.333 11.783 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.922 12.698 2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.998 10.935 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.141 10.320 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.799 9.415 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.591 10.166 -0.917 1.00 0.00 H new ATOM 256 N GLY A 19 -1.994 11.481 0.603 1.00 0.00 N ATOM 257 CA GLY A 19 -3.284 10.830 0.741 1.00 0.00 C ATOM 258 C GLY A 19 -3.963 10.601 -0.595 1.00 0.00 C ATOM 259 O GLY A 19 -4.404 9.492 -0.892 1.00 0.00 O ATOM 0 H GLY A 19 -1.844 12.272 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.153 9.874 1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.929 11.439 1.374 1.00 0.00 H new ATOM 263 N ALA A 20 -4.049 11.654 -1.401 1.00 0.00 N ATOM 264 CA ALA A 20 -4.680 11.563 -2.713 1.00 0.00 C ATOM 265 C ALA A 20 -3.906 10.621 -3.629 1.00 0.00 C ATOM 266 O ALA A 20 -4.496 9.895 -4.430 1.00 0.00 O ATOM 267 CB ALA A 20 -4.790 12.943 -3.343 1.00 0.00 C ATOM 0 H ALA A 20 -3.690 12.580 -1.169 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.682 11.156 -2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.263 12.860 -4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.392 13.588 -2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.794 13.372 -3.456 1.00 0.00 H new ATOM 273 N LEU A 21 -2.584 10.638 -3.506 1.00 0.00 N ATOM 274 CA LEU A 21 -1.728 9.785 -4.325 1.00 0.00 C ATOM 275 C LEU A 21 -1.984 8.311 -4.026 1.00 0.00 C ATOM 276 O LEU A 21 -2.229 7.517 -4.935 1.00 0.00 O ATOM 277 CB LEU A 21 -0.256 10.119 -4.079 1.00 0.00 C ATOM 278 CG LEU A 21 0.748 9.471 -5.033 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.151 8.227 -5.672 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.186 10.463 -6.101 1.00 0.00 C ATOM 0 H LEU A 21 -2.081 11.233 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.966 9.971 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.135 11.201 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.002 9.823 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 21 1.626 9.174 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.880 7.780 -6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.112 7.509 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.744 8.499 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.900 9.985 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.317 10.791 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.655 11.325 -5.627 1.00 0.00 H new ATOM 292 N TYR A 22 -1.926 7.953 -2.749 1.00 0.00 N ATOM 293 CA TYR A 22 -2.151 6.574 -2.330 1.00 0.00 C ATOM 294 C TYR A 22 -3.452 6.033 -2.914 1.00 0.00 C ATOM 295 O TYR A 22 -3.557 4.849 -3.237 1.00 0.00 O ATOM 296 CB TYR A 22 -2.187 6.482 -0.804 1.00 0.00 C ATOM 297 CG TYR A 22 -2.865 5.233 -0.288 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.203 4.011 -0.285 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.167 5.273 0.194 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.818 2.866 0.184 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.789 4.134 0.667 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.111 2.933 0.659 1.00 0.00 C ATOM 303 OH TYR A 22 -4.729 1.796 1.127 1.00 0.00 O ATOM 0 H TYR A 22 -1.725 8.598 -1.985 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.326 5.968 -2.704 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.167 6.515 -0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.704 7.356 -0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.190 3.955 -0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.702 6.211 0.199 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.289 1.924 0.179 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.801 4.184 1.041 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.057 1.188 1.500 1.00 0.00 H new ATOM 313 N LEU A 23 -4.442 6.909 -3.049 1.00 0.00 N ATOM 314 CA LEU A 23 -5.738 6.521 -3.595 1.00 0.00 C ATOM 315 C LEU A 23 -5.605 6.076 -5.048 1.00 0.00 C ATOM 316 O LEU A 23 -6.211 5.089 -5.464 1.00 0.00 O ATOM 317 CB LEU A 23 -6.725 7.685 -3.494 1.00 0.00 C ATOM 318 CG LEU A 23 -7.120 8.108 -2.079 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.605 9.550 -2.069 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.191 7.180 -1.523 1.00 0.00 C ATOM 0 H LEU A 23 -4.372 7.893 -2.788 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.115 5.682 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.293 8.547 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.631 7.416 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.239 8.037 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.882 9.834 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.809 10.204 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.472 9.647 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.459 7.497 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.073 7.218 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.809 6.160 -1.493 1.00 0.00 H new ATOM 332 N SER A 24 -4.807 6.811 -5.816 1.00 0.00 N ATOM 333 CA SER A 24 -4.595 6.494 -7.223 1.00 0.00 C ATOM 334 C SER A 24 -3.965 5.113 -7.380 1.00 0.00 C ATOM 335 O SER A 24 -4.186 4.428 -8.378 1.00 0.00 O ATOM 336 CB SER A 24 -3.704 7.551 -7.878 1.00 0.00 C ATOM 337 OG SER A 24 -4.393 8.781 -8.021 1.00 0.00 O ATOM 0 H SER A 24 -4.296 7.630 -5.487 1.00 0.00 H new ATOM 0 HA SER A 24 -5.566 6.490 -7.719 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.808 7.700 -7.275 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.375 7.199 -8.856 1.00 0.00 H new ATOM 0 HG SER A 24 -3.802 9.440 -8.440 1.00 0.00 H new ATOM 343 N MET A 25 -3.178 4.713 -6.387 1.00 0.00 N ATOM 344 CA MET A 25 -2.517 3.413 -6.413 1.00 0.00 C ATOM 345 C MET A 25 -3.487 2.301 -6.031 1.00 0.00 C ATOM 346 O MET A 25 -3.194 1.118 -6.208 1.00 0.00 O ATOM 347 CB MET A 25 -1.317 3.409 -5.463 1.00 0.00 C ATOM 348 CG MET A 25 -0.484 4.678 -5.530 1.00 0.00 C ATOM 349 SD MET A 25 0.950 4.626 -4.439 1.00 0.00 S ATOM 350 CE MET A 25 2.276 4.918 -5.608 1.00 0.00 C ATOM 0 H MET A 25 -2.982 5.270 -5.555 1.00 0.00 H new ATOM 0 HA MET A 25 -2.168 3.231 -7.429 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.673 3.272 -4.442 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.682 2.555 -5.697 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.150 4.835 -6.556 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.107 5.532 -5.264 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.104 4.242 -5.396 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.914 4.741 -6.621 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.618 5.949 -5.520 1.00 0.00 H new ATOM 360 N LYS A 26 -4.645 2.686 -5.505 1.00 0.00 N ATOM 361 CA LYS A 26 -5.660 1.722 -5.099 1.00 0.00 C ATOM 362 C LYS A 26 -6.508 1.289 -6.290 1.00 0.00 C ATOM 363 O LYS A 26 -7.211 0.280 -6.230 1.00 0.00 O ATOM 364 CB LYS A 26 -6.557 2.322 -4.013 1.00 0.00 C ATOM 365 CG LYS A 26 -5.876 2.445 -2.661 1.00 0.00 C ATOM 366 CD LYS A 26 -6.870 2.307 -1.521 1.00 0.00 C ATOM 367 CE LYS A 26 -7.922 3.405 -1.562 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.784 3.393 -0.347 1.00 0.00 N ATOM 0 H LYS A 26 -4.904 3.660 -5.350 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.152 0.844 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.891 3.309 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.448 1.703 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.107 1.678 -2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.374 3.410 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.357 1.333 -1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.341 2.344 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.432 4.375 -1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.543 3.280 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.488 4.156 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.272 2.477 -0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.195 3.538 0.498 1.00 0.00 H new ATOM 382 N ASP A 27 -6.435 2.056 -7.372 1.00 0.00 N ATOM 383 CA ASP A 27 -7.194 1.750 -8.580 1.00 0.00 C ATOM 384 C ASP A 27 -6.694 0.460 -9.222 1.00 0.00 C ATOM 385 O ASP A 27 -5.527 0.094 -9.082 1.00 0.00 O ATOM 386 CB ASP A 27 -7.092 2.904 -9.578 1.00 0.00 C ATOM 387 CG ASP A 27 -8.216 2.891 -10.595 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.288 1.928 -11.388 1.00 0.00 O ATOM 389 OD2 ASP A 27 -9.025 3.841 -10.597 1.00 0.00 O ATOM 0 H ASP A 27 -5.858 2.895 -7.438 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.239 1.615 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.106 3.850 -9.037 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.135 2.848 -10.097 1.00 0.00 H new ATOM 394 N THR A 28 -7.587 -0.229 -9.927 1.00 0.00 N ATOM 395 CA THR A 28 -7.239 -1.479 -10.589 1.00 0.00 C ATOM 396 C THR A 28 -6.553 -1.221 -11.926 1.00 0.00 C ATOM 397 O THR A 28 -5.688 -1.987 -12.348 1.00 0.00 O ATOM 398 CB THR A 28 -8.483 -2.356 -10.824 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.096 -3.726 -10.975 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.241 -1.899 -12.062 1.00 0.00 C ATOM 0 H THR A 28 -8.557 0.059 -10.054 1.00 0.00 H new ATOM 0 HA THR A 28 -6.552 -2.006 -9.927 1.00 0.00 H new ATOM 0 HB THR A 28 -9.138 -2.257 -9.958 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.893 -4.277 -11.122 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.116 -2.533 -12.208 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.560 -0.865 -11.932 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.591 -1.971 -12.934 1.00 0.00 H new ATOM 408 N GLU A 29 -6.945 -0.136 -12.587 1.00 0.00 N ATOM 409 CA GLU A 29 -6.367 0.222 -13.877 1.00 0.00 C ATOM 410 C GLU A 29 -5.522 1.487 -13.762 1.00 0.00 C ATOM 411 O GLU A 29 -4.618 1.719 -14.565 1.00 0.00 O ATOM 412 CB GLU A 29 -7.471 0.426 -14.917 1.00 0.00 C ATOM 413 CG GLU A 29 -8.700 1.133 -14.370 1.00 0.00 C ATOM 414 CD GLU A 29 -9.436 1.929 -15.430 1.00 0.00 C ATOM 415 OE1 GLU A 29 -9.603 1.408 -16.552 1.00 0.00 O ATOM 416 OE2 GLU A 29 -9.843 3.072 -15.138 1.00 0.00 O ATOM 0 H GLU A 29 -7.660 0.510 -12.251 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.723 -0.597 -14.197 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.071 1.003 -15.750 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.768 -0.545 -15.315 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.377 0.395 -13.940 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.401 1.801 -13.562 1.00 0.00 H new ATOM 423 N LYS A 30 -5.822 2.303 -12.758 1.00 0.00 N ATOM 424 CA LYS A 30 -5.091 3.544 -12.535 1.00 0.00 C ATOM 425 C LYS A 30 -4.222 3.448 -11.285 1.00 0.00 C ATOM 426 O LYS A 30 -3.696 4.450 -10.804 1.00 0.00 O ATOM 427 CB LYS A 30 -6.065 4.717 -12.402 1.00 0.00 C ATOM 428 CG LYS A 30 -7.196 4.686 -13.415 1.00 0.00 C ATOM 429 CD LYS A 30 -6.827 5.432 -14.687 1.00 0.00 C ATOM 430 CE LYS A 30 -8.062 5.826 -15.481 1.00 0.00 C ATOM 431 NZ LYS A 30 -7.718 6.665 -16.662 1.00 0.00 N ATOM 0 H LYS A 30 -6.568 2.127 -12.085 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.443 3.713 -13.395 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.488 4.715 -11.397 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.514 5.651 -12.514 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.441 3.652 -13.657 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.090 5.131 -12.977 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.256 6.325 -14.433 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.182 4.806 -15.303 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.582 4.927 -15.813 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.750 6.372 -14.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.587 6.913 -17.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.244 7.535 -16.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.082 6.135 -17.291 1.00 0.00 H new ATOM 445 N GLY A 31 -4.076 2.233 -10.764 1.00 0.00 N ATOM 446 CA GLY A 31 -3.269 2.028 -9.575 1.00 0.00 C ATOM 447 C GLY A 31 -2.170 1.007 -9.790 1.00 0.00 C ATOM 448 O GLY A 31 -2.010 0.480 -10.891 1.00 0.00 O ATOM 0 H GLY A 31 -4.502 1.388 -11.144 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.825 2.977 -9.273 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.910 1.701 -8.756 1.00 0.00 H new ATOM 452 N ILE A 32 -1.409 0.729 -8.737 1.00 0.00 N ATOM 453 CA ILE A 32 -0.318 -0.235 -8.816 1.00 0.00 C ATOM 454 C ILE A 32 -0.840 -1.664 -8.718 1.00 0.00 C ATOM 455 O ILE A 32 -1.602 -1.998 -7.810 1.00 0.00 O ATOM 456 CB ILE A 32 0.721 -0.002 -7.704 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.332 1.395 -7.830 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.806 -1.067 -7.761 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.117 1.824 -6.611 1.00 0.00 C ATOM 0 H ILE A 32 -1.528 1.158 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 32 0.161 -0.091 -9.784 1.00 0.00 H new ATOM 0 HB ILE A 32 0.219 -0.073 -6.739 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.987 1.419 -8.701 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.535 2.116 -8.011 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.533 -0.889 -6.969 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.357 -2.051 -7.627 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.306 -1.025 -8.729 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.521 2.824 -6.772 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.461 1.833 -5.740 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.936 1.125 -6.441 1.00 0.00 H new ATOM 471 N LYS A 33 -0.422 -2.506 -9.657 1.00 0.00 N ATOM 472 CA LYS A 33 -0.844 -3.902 -9.676 1.00 0.00 C ATOM 473 C LYS A 33 0.049 -4.752 -8.778 1.00 0.00 C ATOM 474 O LYS A 33 1.213 -4.422 -8.554 1.00 0.00 O ATOM 475 CB LYS A 33 -0.814 -4.446 -11.106 1.00 0.00 C ATOM 476 CG LYS A 33 0.589 -4.696 -11.632 1.00 0.00 C ATOM 477 CD LYS A 33 0.604 -5.795 -12.681 1.00 0.00 C ATOM 478 CE LYS A 33 1.973 -5.927 -13.331 1.00 0.00 C ATOM 479 NZ LYS A 33 1.953 -6.878 -14.477 1.00 0.00 N ATOM 0 H LYS A 33 0.209 -2.246 -10.415 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.865 -3.953 -9.296 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.378 -5.378 -11.143 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.320 -3.740 -11.765 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.987 -3.776 -12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.245 -4.971 -10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.326 -6.743 -12.220 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.143 -5.580 -13.445 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.307 -4.949 -13.677 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.696 -6.267 -12.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.904 -6.940 -14.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.659 -7.818 -14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.282 -6.541 -15.196 1.00 0.00 H new ATOM 493 N GLU A 34 -0.503 -5.850 -8.270 1.00 0.00 N ATOM 494 CA GLU A 34 0.245 -6.747 -7.398 1.00 0.00 C ATOM 495 C GLU A 34 0.528 -8.074 -8.096 1.00 0.00 C ATOM 496 O GLU A 34 -0.298 -8.576 -8.858 1.00 0.00 O ATOM 497 CB GLU A 34 -0.528 -6.996 -6.101 1.00 0.00 C ATOM 498 CG GLU A 34 -0.835 -5.727 -5.323 1.00 0.00 C ATOM 499 CD GLU A 34 -2.120 -5.830 -4.524 1.00 0.00 C ATOM 500 OE1 GLU A 34 -2.981 -6.657 -4.890 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.266 -5.082 -3.534 1.00 0.00 O ATOM 0 H GLU A 34 -1.465 -6.139 -8.448 1.00 0.00 H new ATOM 0 HA GLU A 34 1.196 -6.271 -7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.464 -7.503 -6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.049 -7.670 -5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.008 -5.510 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.908 -4.889 -6.016 1.00 0.00 H new ATOM 508 N LEU A 35 1.703 -8.636 -7.831 1.00 0.00 N ATOM 509 CA LEU A 35 2.097 -9.904 -8.434 1.00 0.00 C ATOM 510 C LEU A 35 2.248 -10.989 -7.372 1.00 0.00 C ATOM 511 O LEU A 35 2.098 -10.728 -6.179 1.00 0.00 O ATOM 512 CB LEU A 35 3.409 -9.741 -9.202 1.00 0.00 C ATOM 513 CG LEU A 35 3.353 -8.852 -10.446 1.00 0.00 C ATOM 514 CD1 LEU A 35 1.984 -8.940 -11.103 1.00 0.00 C ATOM 515 CD2 LEU A 35 3.683 -7.411 -10.087 1.00 0.00 C ATOM 0 H LEU A 35 2.399 -8.233 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 35 1.312 -10.207 -9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.157 -9.333 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.757 -10.730 -9.502 1.00 0.00 H new ATOM 0 HG LEU A 35 4.098 -9.207 -11.157 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.962 -8.301 -11.986 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.787 -9.971 -11.396 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.220 -8.611 -10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.638 -6.793 -10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.962 -7.044 -9.357 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.686 -7.362 -9.662 1.00 0.00 H new ATOM 527 N ASN A 36 2.548 -12.205 -7.814 1.00 0.00 N ATOM 528 CA ASN A 36 2.721 -13.329 -6.901 1.00 0.00 C ATOM 529 C ASN A 36 4.091 -13.974 -7.086 1.00 0.00 C ATOM 530 O ASN A 36 4.269 -14.847 -7.938 1.00 0.00 O ATOM 531 CB ASN A 36 1.621 -14.369 -7.124 1.00 0.00 C ATOM 532 CG ASN A 36 1.490 -14.768 -8.581 1.00 0.00 C ATOM 533 OD1 ASN A 36 1.521 -13.921 -9.474 1.00 0.00 O ATOM 534 ND2 ASN A 36 1.342 -16.065 -8.828 1.00 0.00 N ATOM 0 H ASN A 36 2.676 -12.438 -8.799 1.00 0.00 H new ATOM 0 HA ASN A 36 2.652 -12.950 -5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.835 -15.254 -6.525 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.670 -13.969 -6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.249 -16.394 -9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.322 -16.732 -8.057 1.00 0.00 H new ATOM 541 N LEU A 37 5.057 -13.540 -6.284 1.00 0.00 N ATOM 542 CA LEU A 37 6.412 -14.076 -6.358 1.00 0.00 C ATOM 543 C LEU A 37 6.663 -15.080 -5.238 1.00 0.00 C ATOM 544 O LEU A 37 5.845 -15.228 -4.330 1.00 0.00 O ATOM 545 CB LEU A 37 7.435 -12.941 -6.280 1.00 0.00 C ATOM 546 CG LEU A 37 7.491 -12.004 -7.487 1.00 0.00 C ATOM 547 CD1 LEU A 37 6.173 -11.260 -7.647 1.00 0.00 C ATOM 548 CD2 LEU A 37 8.645 -11.022 -7.347 1.00 0.00 C ATOM 0 H LEU A 37 4.927 -12.818 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 37 6.521 -14.591 -7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.220 -12.346 -5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.423 -13.379 -6.139 1.00 0.00 H new ATOM 0 HG LEU A 37 7.657 -12.605 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.231 -10.598 -8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.366 -11.977 -7.794 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.977 -10.671 -6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.669 -10.363 -8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.509 -10.427 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.584 -11.571 -7.282 1.00 0.00 H new ATOM 560 N GLU A 38 7.800 -15.765 -5.308 1.00 0.00 N ATOM 561 CA GLU A 38 8.159 -16.754 -4.298 1.00 0.00 C ATOM 562 C GLU A 38 9.595 -16.552 -3.825 1.00 0.00 C ATOM 563 O GLU A 38 10.529 -17.142 -4.368 1.00 0.00 O ATOM 564 CB GLU A 38 7.987 -18.169 -4.854 1.00 0.00 C ATOM 565 CG GLU A 38 8.328 -19.261 -3.854 1.00 0.00 C ATOM 566 CD GLU A 38 8.472 -20.623 -4.505 1.00 0.00 C ATOM 567 OE1 GLU A 38 9.238 -20.735 -5.485 1.00 0.00 O ATOM 568 OE2 GLU A 38 7.820 -21.578 -4.033 1.00 0.00 O ATOM 0 H GLU A 38 8.488 -15.653 -6.053 1.00 0.00 H new ATOM 0 HA GLU A 38 7.493 -16.623 -3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.956 -18.298 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.619 -18.284 -5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.257 -19.005 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.550 -19.307 -3.092 1.00 0.00 H new ATOM 575 N LYS A 39 9.765 -15.713 -2.808 1.00 0.00 N ATOM 576 CA LYS A 39 11.086 -15.432 -2.260 1.00 0.00 C ATOM 577 C LYS A 39 11.179 -15.882 -0.805 1.00 0.00 C ATOM 578 O LYS A 39 10.190 -15.849 -0.071 1.00 0.00 O ATOM 579 CB LYS A 39 11.397 -13.937 -2.363 1.00 0.00 C ATOM 580 CG LYS A 39 12.854 -13.599 -2.099 1.00 0.00 C ATOM 581 CD LYS A 39 13.774 -14.274 -3.102 1.00 0.00 C ATOM 582 CE LYS A 39 15.099 -13.538 -3.227 1.00 0.00 C ATOM 583 NZ LYS A 39 16.168 -14.411 -3.785 1.00 0.00 N ATOM 0 H LYS A 39 9.003 -15.216 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 39 11.819 -15.990 -2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.126 -13.586 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.773 -13.395 -1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.992 -12.519 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.124 -13.910 -1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.956 -15.304 -2.794 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.286 -14.314 -4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.971 -12.666 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.404 -13.171 -2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.055 -13.872 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.308 -15.230 -3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.888 -14.741 -4.731 1.00 0.00 H new ATOM 597 N ASP A 40 12.371 -16.300 -0.394 1.00 0.00 N ATOM 598 CA ASP A 40 12.592 -16.754 0.974 1.00 0.00 C ATOM 599 C ASP A 40 11.595 -17.844 1.353 1.00 0.00 C ATOM 600 O ASP A 40 10.888 -17.733 2.355 1.00 0.00 O ATOM 601 CB ASP A 40 12.478 -15.580 1.948 1.00 0.00 C ATOM 602 CG ASP A 40 13.554 -14.535 1.724 1.00 0.00 C ATOM 603 OD1 ASP A 40 14.747 -14.868 1.884 1.00 0.00 O ATOM 604 OD2 ASP A 40 13.202 -13.386 1.387 1.00 0.00 O ATOM 0 H ASP A 40 13.199 -16.334 -0.989 1.00 0.00 H new ATOM 0 HA ASP A 40 13.598 -17.170 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.497 -15.116 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.544 -15.952 2.970 1.00 0.00 H new ATOM 609 N LYS A 41 11.542 -18.898 0.545 1.00 0.00 N ATOM 610 CA LYS A 41 10.632 -20.009 0.794 1.00 0.00 C ATOM 611 C LYS A 41 9.255 -19.502 1.209 1.00 0.00 C ATOM 612 O LYS A 41 8.521 -20.183 1.925 1.00 0.00 O ATOM 613 CB LYS A 41 11.199 -20.925 1.881 1.00 0.00 C ATOM 614 CG LYS A 41 12.577 -21.476 1.555 1.00 0.00 C ATOM 615 CD LYS A 41 13.664 -20.447 1.815 1.00 0.00 C ATOM 616 CE LYS A 41 15.050 -21.068 1.735 1.00 0.00 C ATOM 617 NZ LYS A 41 16.112 -20.112 2.156 1.00 0.00 N ATOM 0 H LYS A 41 12.120 -19.006 -0.289 1.00 0.00 H new ATOM 0 HA LYS A 41 10.527 -20.575 -0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.251 -20.373 2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.512 -21.757 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.766 -22.366 2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.609 -21.784 0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.583 -19.639 1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.519 -20.004 2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.088 -21.954 2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.242 -21.397 0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.042 -20.573 2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.093 -19.277 1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.944 -19.817 3.139 1.00 0.00 H new ATOM 631 N LYS A 42 8.909 -18.303 0.753 1.00 0.00 N ATOM 632 CA LYS A 42 7.619 -17.705 1.074 1.00 0.00 C ATOM 633 C LYS A 42 7.022 -17.010 -0.146 1.00 0.00 C ATOM 634 O LYS A 42 7.720 -16.298 -0.869 1.00 0.00 O ATOM 635 CB LYS A 42 7.769 -16.703 2.222 1.00 0.00 C ATOM 636 CG LYS A 42 7.983 -17.358 3.576 1.00 0.00 C ATOM 637 CD LYS A 42 8.188 -16.322 4.669 1.00 0.00 C ATOM 638 CE LYS A 42 6.861 -15.785 5.183 1.00 0.00 C ATOM 639 NZ LYS A 42 6.226 -16.715 6.157 1.00 0.00 N ATOM 0 H LYS A 42 9.505 -17.726 0.159 1.00 0.00 H new ATOM 0 HA LYS A 42 6.944 -18.503 1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.610 -16.043 2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.877 -16.078 2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.122 -17.981 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.850 -18.017 3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.746 -16.766 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.790 -15.499 4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.020 -14.816 5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.186 -15.622 4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.312 -17.039 5.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.848 -17.535 6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.074 -16.222 7.060 1.00 0.00 H new ATOM 653 N ILE A 43 5.729 -17.221 -0.368 1.00 0.00 N ATOM 654 CA ILE A 43 5.040 -16.612 -1.499 1.00 0.00 C ATOM 655 C ILE A 43 4.162 -15.450 -1.047 1.00 0.00 C ATOM 656 O ILE A 43 3.087 -15.654 -0.482 1.00 0.00 O ATOM 657 CB ILE A 43 4.169 -17.639 -2.246 1.00 0.00 C ATOM 658 CG1 ILE A 43 5.036 -18.776 -2.790 1.00 0.00 C ATOM 659 CG2 ILE A 43 3.402 -16.964 -3.373 1.00 0.00 C ATOM 660 CD1 ILE A 43 4.265 -19.781 -3.618 1.00 0.00 C ATOM 0 H ILE A 43 5.138 -17.809 0.220 1.00 0.00 H new ATOM 0 HA ILE A 43 5.810 -16.240 -2.175 1.00 0.00 H new ATOM 0 HB ILE A 43 3.449 -18.060 -1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.836 -18.353 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.510 -19.292 -1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.791 -17.703 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.759 -16.187 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.106 -16.518 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.943 -20.558 -3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.482 -20.232 -3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.814 -19.278 -4.473 1.00 0.00 H new ATOM 672 N PHE A 44 4.626 -14.231 -1.301 1.00 0.00 N ATOM 673 CA PHE A 44 3.882 -13.036 -0.921 1.00 0.00 C ATOM 674 C PHE A 44 2.766 -12.749 -1.921 1.00 0.00 C ATOM 675 O PHE A 44 3.015 -12.575 -3.113 1.00 0.00 O ATOM 676 CB PHE A 44 4.823 -11.832 -0.831 1.00 0.00 C ATOM 677 CG PHE A 44 5.978 -12.042 0.105 1.00 0.00 C ATOM 678 CD1 PHE A 44 7.075 -12.794 -0.285 1.00 0.00 C ATOM 679 CD2 PHE A 44 5.967 -11.489 1.375 1.00 0.00 C ATOM 680 CE1 PHE A 44 8.139 -12.990 0.576 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.029 -11.681 2.240 1.00 0.00 C ATOM 682 CZ PHE A 44 8.116 -12.431 1.839 1.00 0.00 C ATOM 0 H PHE A 44 5.513 -14.045 -1.768 1.00 0.00 H new ATOM 0 HA PHE A 44 3.433 -13.213 0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.208 -11.607 -1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.255 -10.961 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.099 -13.232 -1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.119 -10.901 1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 44 8.987 -13.580 0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.008 -11.245 3.228 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.947 -12.581 2.512 1.00 0.00 H new ATOM 692 N ASN A 45 1.533 -12.703 -1.425 1.00 0.00 N ATOM 693 CA ASN A 45 0.377 -12.439 -2.274 1.00 0.00 C ATOM 694 C ASN A 45 -0.024 -10.969 -2.205 1.00 0.00 C ATOM 695 O ASN A 45 0.135 -10.318 -1.172 1.00 0.00 O ATOM 696 CB ASN A 45 -0.801 -13.321 -1.855 1.00 0.00 C ATOM 697 CG ASN A 45 -0.744 -14.699 -2.485 1.00 0.00 C ATOM 698 OD1 ASN A 45 -1.672 -15.116 -3.179 1.00 0.00 O ATOM 699 ND2 ASN A 45 0.349 -15.415 -2.245 1.00 0.00 N ATOM 0 H ASN A 45 1.309 -12.845 -0.440 1.00 0.00 H new ATOM 0 HA ASN A 45 0.651 -12.674 -3.302 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.809 -13.421 -0.770 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.734 -12.834 -2.137 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.444 -16.350 -2.642 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.094 -15.030 -1.664 1.00 0.00 H new ATOM 706 N HIS A 46 -0.545 -10.451 -3.313 1.00 0.00 N ATOM 707 CA HIS A 46 -0.970 -9.057 -3.379 1.00 0.00 C ATOM 708 C HIS A 46 0.180 -8.121 -3.023 1.00 0.00 C ATOM 709 O HIS A 46 0.030 -7.225 -2.191 1.00 0.00 O ATOM 710 CB HIS A 46 -2.149 -8.817 -2.435 1.00 0.00 C ATOM 711 CG HIS A 46 -3.361 -9.629 -2.772 1.00 0.00 C ATOM 712 ND1 HIS A 46 -4.108 -9.429 -3.914 1.00 0.00 N ATOM 713 CD2 HIS A 46 -3.955 -10.650 -2.111 1.00 0.00 C ATOM 714 CE1 HIS A 46 -5.110 -10.290 -3.940 1.00 0.00 C ATOM 715 NE2 HIS A 46 -5.039 -11.043 -2.857 1.00 0.00 N ATOM 0 H HIS A 46 -0.683 -10.975 -4.177 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.283 -8.846 -4.401 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.840 -9.047 -1.415 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.412 -7.760 -2.458 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.917 -8.726 -4.628 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.636 -11.076 -1.171 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.859 -10.365 -4.714 1.00 0.00 H new ATOM 724 N CYS A 47 1.328 -8.334 -3.657 1.00 0.00 N ATOM 725 CA CYS A 47 2.505 -7.510 -3.406 1.00 0.00 C ATOM 726 C CYS A 47 3.140 -7.055 -4.716 1.00 0.00 C ATOM 727 O CYS A 47 3.190 -7.810 -5.688 1.00 0.00 O ATOM 728 CB CYS A 47 3.527 -8.284 -2.571 1.00 0.00 C ATOM 729 SG CYS A 47 4.197 -9.746 -3.396 1.00 0.00 S ATOM 0 H CYS A 47 1.469 -9.070 -4.349 1.00 0.00 H new ATOM 0 HA CYS A 47 2.188 -6.627 -2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.349 -7.617 -2.313 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.059 -8.590 -1.635 1.00 0.00 H new ATOM 0 HG CYS A 47 3.392 -10.751 -3.219 1.00 0.00 H new ATOM 735 N PHE A 48 3.622 -5.817 -4.736 1.00 0.00 N ATOM 736 CA PHE A 48 4.252 -5.261 -5.928 1.00 0.00 C ATOM 737 C PHE A 48 5.737 -5.008 -5.690 1.00 0.00 C ATOM 738 O PHE A 48 6.170 -4.794 -4.557 1.00 0.00 O ATOM 739 CB PHE A 48 3.560 -3.958 -6.335 1.00 0.00 C ATOM 740 CG PHE A 48 3.058 -3.156 -5.168 1.00 0.00 C ATOM 741 CD1 PHE A 48 3.894 -2.268 -4.511 1.00 0.00 C ATOM 742 CD2 PHE A 48 1.751 -3.289 -4.730 1.00 0.00 C ATOM 743 CE1 PHE A 48 3.435 -1.529 -3.437 1.00 0.00 C ATOM 744 CE2 PHE A 48 1.286 -2.553 -3.656 1.00 0.00 C ATOM 745 CZ PHE A 48 2.129 -1.670 -3.010 1.00 0.00 C ATOM 0 H PHE A 48 3.588 -5.180 -3.940 1.00 0.00 H new ATOM 0 HA PHE A 48 4.150 -5.987 -6.735 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.258 -3.350 -6.910 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.723 -4.191 -6.993 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.916 -2.152 -4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.087 -3.976 -5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.097 -0.842 -2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.265 -2.668 -3.323 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.768 -1.091 -2.173 1.00 0.00 H new ATOM 755 N THR A 49 6.516 -5.034 -6.768 1.00 0.00 N ATOM 756 CA THR A 49 7.953 -4.810 -6.678 1.00 0.00 C ATOM 757 C THR A 49 8.261 -3.377 -6.259 1.00 0.00 C ATOM 758 O THR A 49 7.353 -2.578 -6.030 1.00 0.00 O ATOM 759 CB THR A 49 8.652 -5.101 -8.019 1.00 0.00 C ATOM 760 OG1 THR A 49 8.072 -4.304 -9.058 1.00 0.00 O ATOM 761 CG2 THR A 49 8.537 -6.575 -8.380 1.00 0.00 C ATOM 0 H THR A 49 6.175 -5.208 -7.713 1.00 0.00 H new ATOM 0 HA THR A 49 8.333 -5.497 -5.922 1.00 0.00 H new ATOM 0 HB THR A 49 9.707 -4.849 -7.915 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.523 -4.494 -9.907 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.038 -6.757 -9.331 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.005 -7.178 -7.602 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.485 -6.848 -8.466 1.00 0.00 H new ATOM 769 N GLY A 50 9.548 -3.057 -6.160 1.00 0.00 N ATOM 770 CA GLY A 50 9.952 -1.719 -5.769 1.00 0.00 C ATOM 771 C GLY A 50 9.999 -0.761 -6.943 1.00 0.00 C ATOM 772 O GLY A 50 9.467 0.346 -6.870 1.00 0.00 O ATOM 0 H GLY A 50 10.318 -3.701 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.258 -1.337 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.935 -1.762 -5.300 1.00 0.00 H new ATOM 776 N ASN A 51 10.638 -1.187 -8.027 1.00 0.00 N ATOM 777 CA ASN A 51 10.754 -0.358 -9.221 1.00 0.00 C ATOM 778 C ASN A 51 9.379 0.080 -9.716 1.00 0.00 C ATOM 779 O ASN A 51 9.135 1.267 -9.933 1.00 0.00 O ATOM 780 CB ASN A 51 11.488 -1.119 -10.327 1.00 0.00 C ATOM 781 CG ASN A 51 11.173 -0.578 -11.708 1.00 0.00 C ATOM 782 OD1 ASN A 51 10.327 -1.119 -12.420 1.00 0.00 O ATOM 783 ND2 ASN A 51 11.855 0.494 -12.093 1.00 0.00 N ATOM 0 H ASN A 51 11.083 -2.101 -8.103 1.00 0.00 H new ATOM 0 HA ASN A 51 11.327 0.532 -8.960 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.562 -1.060 -10.153 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.215 -2.173 -10.282 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.687 0.902 -13.012 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.547 0.909 -11.469 1.00 0.00 H new ATOM 790 N CYS A 52 8.485 -0.887 -9.891 1.00 0.00 N ATOM 791 CA CYS A 52 7.133 -0.602 -10.360 1.00 0.00 C ATOM 792 C CYS A 52 6.555 0.616 -9.647 1.00 0.00 C ATOM 793 O CYS A 52 5.944 1.482 -10.273 1.00 0.00 O ATOM 794 CB CYS A 52 6.228 -1.815 -10.138 1.00 0.00 C ATOM 795 SG CYS A 52 6.217 -2.989 -11.513 1.00 0.00 S ATOM 0 H CYS A 52 8.671 -1.874 -9.715 1.00 0.00 H new ATOM 0 HA CYS A 52 7.183 -0.385 -11.427 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.548 -2.333 -9.234 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.210 -1.468 -9.962 1.00 0.00 H new ATOM 0 HG CYS A 52 5.425 -3.981 -11.231 1.00 0.00 H new ATOM 801 N VAL A 53 6.752 0.675 -8.334 1.00 0.00 N ATOM 802 CA VAL A 53 6.250 1.787 -7.535 1.00 0.00 C ATOM 803 C VAL A 53 6.748 3.122 -8.077 1.00 0.00 C ATOM 804 O VAL A 53 5.991 4.089 -8.166 1.00 0.00 O ATOM 805 CB VAL A 53 6.673 1.655 -6.060 1.00 0.00 C ATOM 806 CG1 VAL A 53 6.206 2.861 -5.260 1.00 0.00 C ATOM 807 CG2 VAL A 53 6.129 0.365 -5.464 1.00 0.00 C ATOM 0 H VAL A 53 7.256 -0.034 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 53 5.162 1.755 -7.597 1.00 0.00 H new ATOM 0 HB VAL A 53 7.761 1.619 -6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.514 2.750 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.649 3.766 -5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.120 2.933 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.437 0.288 -4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.041 0.368 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.519 -0.486 -6.022 1.00 0.00 H new ATOM 817 N ILE A 54 8.026 3.168 -8.440 1.00 0.00 N ATOM 818 CA ILE A 54 8.624 4.384 -8.975 1.00 0.00 C ATOM 819 C ILE A 54 8.089 4.693 -10.369 1.00 0.00 C ATOM 820 O ILE A 54 7.516 5.757 -10.603 1.00 0.00 O ATOM 821 CB ILE A 54 10.159 4.275 -9.040 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.709 3.721 -7.724 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.774 5.632 -9.347 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.341 4.555 -6.517 1.00 0.00 C ATOM 0 H ILE A 54 8.666 2.377 -8.373 1.00 0.00 H new ATOM 0 HA ILE A 54 8.353 5.193 -8.297 1.00 0.00 H new ATOM 0 HB ILE A 54 10.426 3.587 -9.842 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.336 2.707 -7.582 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.795 3.655 -7.793 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.859 5.538 -9.390 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.403 5.991 -10.307 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.501 6.340 -8.565 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.764 4.103 -5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.737 5.563 -6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.256 4.600 -6.423 1.00 0.00 H new ATOM 836 N ASP A 55 8.278 3.755 -11.291 1.00 0.00 N ATOM 837 CA ASP A 55 7.811 3.925 -12.662 1.00 0.00 C ATOM 838 C ASP A 55 6.345 4.348 -12.688 1.00 0.00 C ATOM 839 O ASP A 55 5.936 5.151 -13.527 1.00 0.00 O ATOM 840 CB ASP A 55 7.995 2.628 -13.450 1.00 0.00 C ATOM 841 CG ASP A 55 7.893 2.841 -14.948 1.00 0.00 C ATOM 842 OD1 ASP A 55 7.258 3.833 -15.364 1.00 0.00 O ATOM 843 OD2 ASP A 55 8.449 2.016 -15.703 1.00 0.00 O ATOM 0 H ASP A 55 8.751 2.869 -11.114 1.00 0.00 H new ATOM 0 HA ASP A 55 8.405 4.711 -13.128 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.968 2.197 -13.213 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.241 1.906 -13.136 1.00 0.00 H new ATOM 848 N TRP A 56 5.561 3.801 -11.767 1.00 0.00 N ATOM 849 CA TRP A 56 4.140 4.121 -11.686 1.00 0.00 C ATOM 850 C TRP A 56 3.930 5.619 -11.491 1.00 0.00 C ATOM 851 O TRP A 56 3.086 6.228 -12.151 1.00 0.00 O ATOM 852 CB TRP A 56 3.487 3.348 -10.539 1.00 0.00 C ATOM 853 CG TRP A 56 2.012 3.587 -10.426 1.00 0.00 C ATOM 854 CD1 TRP A 56 1.013 2.759 -10.853 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.370 4.730 -9.851 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.212 3.319 -10.577 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.020 4.527 -9.962 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.833 5.904 -9.251 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -0.947 5.456 -9.497 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.912 6.825 -8.790 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.465 6.597 -8.914 1.00 0.00 C ATOM 0 H TRP A 56 5.884 3.134 -11.066 1.00 0.00 H new ATOM 0 HA TRP A 56 3.672 3.827 -12.626 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.665 2.282 -10.681 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.966 3.629 -9.601 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.163 1.805 -11.336 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.117 2.902 -10.795 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.892 6.088 -9.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.009 5.283 -9.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.259 7.736 -8.326 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.160 7.336 -8.542 1.00 0.00 H new ATOM 872 N LEU A 57 4.700 6.207 -10.583 1.00 0.00 N ATOM 873 CA LEU A 57 4.598 7.635 -10.302 1.00 0.00 C ATOM 874 C LEU A 57 4.921 8.459 -11.544 1.00 0.00 C ATOM 875 O LEU A 57 4.190 9.385 -11.895 1.00 0.00 O ATOM 876 CB LEU A 57 5.543 8.019 -9.162 1.00 0.00 C ATOM 877 CG LEU A 57 5.171 7.491 -7.776 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.418 7.302 -6.925 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.193 8.434 -7.090 1.00 0.00 C ATOM 0 H LEU A 57 5.402 5.717 -10.028 1.00 0.00 H new ATOM 0 HA LEU A 57 3.572 7.849 -10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.542 7.661 -9.409 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.597 9.107 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 57 4.687 6.522 -7.895 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.134 6.926 -5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.084 6.587 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.931 8.257 -6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.940 8.042 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.651 9.417 -6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.287 8.519 -7.691 1.00 0.00 H new ATOM 891 N VAL A 58 6.019 8.113 -12.208 1.00 0.00 N ATOM 892 CA VAL A 58 6.437 8.819 -13.414 1.00 0.00 C ATOM 893 C VAL A 58 5.392 8.689 -14.517 1.00 0.00 C ATOM 894 O VAL A 58 5.007 9.678 -15.140 1.00 0.00 O ATOM 895 CB VAL A 58 7.786 8.289 -13.935 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.233 9.075 -15.158 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.840 8.347 -12.840 1.00 0.00 C ATOM 0 H VAL A 58 6.635 7.349 -11.932 1.00 0.00 H new ATOM 0 HA VAL A 58 6.547 9.869 -13.144 1.00 0.00 H new ATOM 0 HB VAL A 58 7.657 7.247 -14.229 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.188 8.686 -15.512 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.487 8.977 -15.946 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.345 10.127 -14.894 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.787 7.969 -13.226 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.968 9.379 -12.512 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.522 7.735 -11.996 1.00 0.00 H new ATOM 907 N SER A 59 4.938 7.462 -14.752 1.00 0.00 N ATOM 908 CA SER A 59 3.939 7.202 -15.782 1.00 0.00 C ATOM 909 C SER A 59 2.684 8.036 -15.545 1.00 0.00 C ATOM 910 O SER A 59 1.975 8.392 -16.486 1.00 0.00 O ATOM 911 CB SER A 59 3.579 5.715 -15.810 1.00 0.00 C ATOM 912 OG SER A 59 2.858 5.386 -16.984 1.00 0.00 O ATOM 0 H SER A 59 5.246 6.633 -14.244 1.00 0.00 H new ATOM 0 HA SER A 59 4.365 7.484 -16.745 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.489 5.117 -15.759 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.983 5.465 -14.932 1.00 0.00 H new ATOM 0 HG SER A 59 2.642 4.430 -16.978 1.00 0.00 H new ATOM 918 N ASN A 60 2.415 8.344 -14.281 1.00 0.00 N ATOM 919 CA ASN A 60 1.245 9.136 -13.918 1.00 0.00 C ATOM 920 C ASN A 60 1.552 10.628 -14.001 1.00 0.00 C ATOM 921 O ASN A 60 0.797 11.455 -13.490 1.00 0.00 O ATOM 922 CB ASN A 60 0.779 8.777 -12.506 1.00 0.00 C ATOM 923 CG ASN A 60 -0.122 7.557 -12.487 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.263 7.621 -12.028 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.389 6.437 -12.986 1.00 0.00 N ATOM 0 H ASN A 60 2.992 8.057 -13.490 1.00 0.00 H new ATOM 0 HA ASN A 60 0.448 8.907 -14.625 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.649 8.593 -11.875 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.247 9.625 -12.075 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.169 5.583 -12.999 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.340 6.431 -13.356 1.00 0.00 H new ATOM 932 N GLN A 61 2.663 10.963 -14.649 1.00 0.00 N ATOM 933 CA GLN A 61 3.068 12.356 -14.799 1.00 0.00 C ATOM 934 C GLN A 61 3.073 13.069 -13.451 1.00 0.00 C ATOM 935 O GLN A 61 2.802 14.267 -13.371 1.00 0.00 O ATOM 936 CB GLN A 61 2.133 13.080 -15.769 1.00 0.00 C ATOM 937 CG GLN A 61 1.949 12.355 -17.092 1.00 0.00 C ATOM 938 CD GLN A 61 0.667 12.749 -17.800 1.00 0.00 C ATOM 939 OE1 GLN A 61 0.692 13.470 -18.798 1.00 0.00 O ATOM 940 NE2 GLN A 61 -0.462 12.277 -17.287 1.00 0.00 N ATOM 0 H GLN A 61 3.298 10.290 -15.078 1.00 0.00 H new ATOM 0 HA GLN A 61 4.081 12.372 -15.202 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.159 13.207 -15.295 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.526 14.078 -15.963 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.798 12.569 -17.741 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.946 11.279 -16.915 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.436 11.683 -16.458 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.355 12.509 -17.721 1.00 0.00 H new ATOM 949 N SER A 62 3.383 12.325 -12.394 1.00 0.00 N ATOM 950 CA SER A 62 3.420 12.886 -11.049 1.00 0.00 C ATOM 951 C SER A 62 4.823 13.372 -10.701 1.00 0.00 C ATOM 952 O SER A 62 4.992 14.317 -9.930 1.00 0.00 O ATOM 953 CB SER A 62 2.961 11.844 -10.027 1.00 0.00 C ATOM 954 OG SER A 62 1.690 11.319 -10.368 1.00 0.00 O ATOM 0 H SER A 62 3.612 11.332 -12.443 1.00 0.00 H new ATOM 0 HA SER A 62 2.742 13.739 -11.019 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.690 11.035 -9.976 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.917 12.297 -9.036 1.00 0.00 H new ATOM 0 HG SER A 62 1.421 10.654 -9.700 1.00 0.00 H new ATOM 960 N VAL A 63 5.829 12.719 -11.275 1.00 0.00 N ATOM 961 CA VAL A 63 7.218 13.085 -11.028 1.00 0.00 C ATOM 962 C VAL A 63 7.949 13.382 -12.332 1.00 0.00 C ATOM 963 O VAL A 63 7.510 12.975 -13.408 1.00 0.00 O ATOM 964 CB VAL A 63 7.967 11.969 -10.276 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.543 11.931 -8.816 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.727 10.623 -10.944 1.00 0.00 C ATOM 0 H VAL A 63 5.707 11.934 -11.914 1.00 0.00 H new ATOM 0 HA VAL A 63 7.203 13.983 -10.411 1.00 0.00 H new ATOM 0 HB VAL A 63 9.035 12.183 -10.314 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.083 11.136 -8.301 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.770 12.888 -8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.471 11.742 -8.753 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.264 9.846 -10.400 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.660 10.399 -10.939 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.085 10.658 -11.973 1.00 0.00 H new ATOM 976 N ARG A 64 9.066 14.094 -12.229 1.00 0.00 N ATOM 977 CA ARG A 64 9.858 14.447 -13.402 1.00 0.00 C ATOM 978 C ARG A 64 10.667 13.249 -13.892 1.00 0.00 C ATOM 979 O ARG A 64 10.876 13.079 -15.092 1.00 0.00 O ATOM 980 CB ARG A 64 10.797 15.611 -13.078 1.00 0.00 C ATOM 981 CG ARG A 64 10.086 16.824 -12.501 1.00 0.00 C ATOM 982 CD ARG A 64 11.047 17.982 -12.285 1.00 0.00 C ATOM 983 NE ARG A 64 10.375 19.154 -11.729 1.00 0.00 N ATOM 984 CZ ARG A 64 10.988 20.309 -11.492 1.00 0.00 C ATOM 985 NH1 ARG A 64 12.279 20.446 -11.762 1.00 0.00 N ATOM 986 NH2 ARG A 64 10.309 21.330 -10.985 1.00 0.00 N ATOM 0 H ARG A 64 9.443 14.438 -11.346 1.00 0.00 H new ATOM 0 HA ARG A 64 9.173 14.750 -14.194 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.552 15.271 -12.369 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.323 15.906 -13.986 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.287 17.134 -13.175 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.618 16.556 -11.554 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.846 17.669 -11.613 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.514 18.248 -13.234 1.00 0.00 H new ATOM 0 HE ARG A 64 9.381 19.082 -11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.804 19.664 -12.153 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.747 21.334 -11.579 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.316 21.229 -10.777 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.780 22.216 -10.803 1.00 0.00 H new ATOM 1000 N ASN A 65 11.119 12.423 -12.954 1.00 0.00 N ATOM 1001 CA ASN A 65 11.905 11.241 -13.291 1.00 0.00 C ATOM 1002 C ASN A 65 11.782 10.178 -12.204 1.00 0.00 C ATOM 1003 O ASN A 65 11.043 10.350 -11.234 1.00 0.00 O ATOM 1004 CB ASN A 65 13.375 11.620 -13.485 1.00 0.00 C ATOM 1005 CG ASN A 65 13.800 12.766 -12.587 1.00 0.00 C ATOM 1006 OD1 ASN A 65 13.779 13.928 -12.993 1.00 0.00 O ATOM 1007 ND2 ASN A 65 14.190 12.443 -11.359 1.00 0.00 N ATOM 0 H ASN A 65 10.955 12.550 -11.955 1.00 0.00 H new ATOM 0 HA ASN A 65 11.516 10.829 -14.222 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.001 10.751 -13.282 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.542 11.897 -14.526 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.488 13.172 -10.710 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.191 11.466 -11.065 1.00 0.00 H new ATOM 1014 N ARG A 66 12.510 9.079 -12.373 1.00 0.00 N ATOM 1015 CA ARG A 66 12.482 7.987 -11.408 1.00 0.00 C ATOM 1016 C ARG A 66 12.859 8.483 -10.015 1.00 0.00 C ATOM 1017 O ARG A 66 12.072 8.378 -9.075 1.00 0.00 O ATOM 1018 CB ARG A 66 13.436 6.872 -11.839 1.00 0.00 C ATOM 1019 CG ARG A 66 12.784 5.821 -12.723 1.00 0.00 C ATOM 1020 CD ARG A 66 12.695 6.286 -14.168 1.00 0.00 C ATOM 1021 NE ARG A 66 11.566 5.682 -14.869 1.00 0.00 N ATOM 1022 CZ ARG A 66 11.307 5.883 -16.157 1.00 0.00 C ATOM 1023 NH1 ARG A 66 12.094 6.668 -16.880 1.00 0.00 N ATOM 1024 NH2 ARG A 66 10.260 5.297 -16.723 1.00 0.00 N ATOM 0 H ARG A 66 13.127 8.921 -13.170 1.00 0.00 H new ATOM 0 HA ARG A 66 11.466 7.593 -11.373 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.278 7.312 -12.373 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.840 6.387 -10.950 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.357 4.895 -12.672 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.785 5.598 -12.349 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.599 7.371 -14.194 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.620 6.035 -14.687 1.00 0.00 H new ATOM 0 HE ARG A 66 10.942 5.072 -14.341 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.900 7.119 -16.448 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.893 6.821 -17.868 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.653 4.692 -16.170 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.062 5.452 -17.712 1.00 0.00 H new ATOM 1038 N GLN A 67 14.067 9.024 -9.892 1.00 0.00 N ATOM 1039 CA GLN A 67 14.548 9.535 -8.614 1.00 0.00 C ATOM 1040 C GLN A 67 13.473 10.367 -7.921 1.00 0.00 C ATOM 1041 O GLN A 67 13.221 10.202 -6.728 1.00 0.00 O ATOM 1042 CB GLN A 67 15.808 10.377 -8.819 1.00 0.00 C ATOM 1043 CG GLN A 67 17.090 9.560 -8.828 1.00 0.00 C ATOM 1044 CD GLN A 67 18.290 10.351 -8.345 1.00 0.00 C ATOM 1045 OE1 GLN A 67 18.870 11.140 -9.092 1.00 0.00 O ATOM 1046 NE2 GLN A 67 18.668 10.145 -7.089 1.00 0.00 N ATOM 0 H GLN A 67 14.730 9.120 -10.661 1.00 0.00 H new ATOM 0 HA GLN A 67 14.789 8.683 -7.978 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.725 10.917 -9.762 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.869 11.124 -8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.961 8.681 -8.196 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.280 9.200 -9.839 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.158 9.482 -6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.468 10.650 -6.708 1.00 0.00 H new ATOM 1055 N GLU A 68 12.844 11.260 -8.677 1.00 0.00 N ATOM 1056 CA GLU A 68 11.798 12.119 -8.134 1.00 0.00 C ATOM 1057 C GLU A 68 10.768 11.299 -7.362 1.00 0.00 C ATOM 1058 O GLU A 68 10.293 11.714 -6.306 1.00 0.00 O ATOM 1059 CB GLU A 68 11.109 12.895 -9.259 1.00 0.00 C ATOM 1060 CG GLU A 68 11.831 14.174 -9.647 1.00 0.00 C ATOM 1061 CD GLU A 68 12.088 15.082 -8.460 1.00 0.00 C ATOM 1062 OE1 GLU A 68 11.252 15.094 -7.531 1.00 0.00 O ATOM 1063 OE2 GLU A 68 13.123 15.779 -8.459 1.00 0.00 O ATOM 0 H GLU A 68 13.040 11.408 -9.667 1.00 0.00 H new ATOM 0 HA GLU A 68 12.264 12.826 -7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.029 12.253 -10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.093 13.141 -8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.781 13.922 -10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.239 14.710 -10.389 1.00 0.00 H new ATOM 1070 N GLY A 69 10.427 10.131 -7.899 1.00 0.00 N ATOM 1071 CA GLY A 69 9.455 9.271 -7.248 1.00 0.00 C ATOM 1072 C GLY A 69 10.012 8.604 -6.007 1.00 0.00 C ATOM 1073 O GLY A 69 9.259 8.201 -5.119 1.00 0.00 O ATOM 0 H GLY A 69 10.806 9.765 -8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.577 9.859 -6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.123 8.506 -7.950 1.00 0.00 H new ATOM 1077 N LEU A 70 11.333 8.484 -5.943 1.00 0.00 N ATOM 1078 CA LEU A 70 11.990 7.858 -4.801 1.00 0.00 C ATOM 1079 C LEU A 70 11.524 8.488 -3.492 1.00 0.00 C ATOM 1080 O LEU A 70 11.211 7.787 -2.531 1.00 0.00 O ATOM 1081 CB LEU A 70 13.509 7.985 -4.929 1.00 0.00 C ATOM 1082 CG LEU A 70 14.330 6.826 -4.362 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.745 6.354 -3.041 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.393 5.679 -5.361 1.00 0.00 C ATOM 0 H LEU A 70 11.971 8.812 -6.668 1.00 0.00 H new ATOM 0 HA LEU A 70 11.719 6.802 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.756 8.097 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.820 8.903 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 70 15.345 7.179 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.342 5.529 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.753 7.176 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.720 6.018 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.981 4.863 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.384 5.327 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.859 6.025 -6.283 1.00 0.00 H new ATOM 1096 N MET A 71 11.480 9.816 -3.464 1.00 0.00 N ATOM 1097 CA MET A 71 11.049 10.541 -2.274 1.00 0.00 C ATOM 1098 C MET A 71 9.577 10.270 -1.976 1.00 0.00 C ATOM 1099 O MET A 71 9.227 9.835 -0.878 1.00 0.00 O ATOM 1100 CB MET A 71 11.276 12.043 -2.454 1.00 0.00 C ATOM 1101 CG MET A 71 12.578 12.379 -3.164 1.00 0.00 C ATOM 1102 SD MET A 71 13.184 14.028 -2.759 1.00 0.00 S ATOM 1103 CE MET A 71 14.852 13.944 -3.405 1.00 0.00 C ATOM 0 H MET A 71 11.737 10.412 -4.251 1.00 0.00 H new ATOM 0 HA MET A 71 11.644 10.190 -1.431 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.444 12.463 -3.020 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.271 12.523 -1.475 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.335 11.642 -2.895 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.429 12.305 -4.241 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.358 14.893 -3.230 1.00 0.00 H new ATOM 0 HE2 MET A 71 15.397 13.144 -2.903 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.818 13.743 -4.476 1.00 0.00 H new ATOM 1113 N ILE A 72 8.722 10.530 -2.958 1.00 0.00 N ATOM 1114 CA ILE A 72 7.289 10.313 -2.801 1.00 0.00 C ATOM 1115 C ILE A 72 6.996 8.888 -2.344 1.00 0.00 C ATOM 1116 O ILE A 72 6.060 8.650 -1.582 1.00 0.00 O ATOM 1117 CB ILE A 72 6.530 10.587 -4.113 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.730 12.039 -4.550 1.00 0.00 C ATOM 1119 CG2 ILE A 72 5.050 10.278 -3.943 1.00 0.00 C ATOM 1120 CD1 ILE A 72 6.038 13.041 -3.653 1.00 0.00 C ATOM 0 H ILE A 72 8.996 10.891 -3.872 1.00 0.00 H new ATOM 0 HA ILE A 72 6.945 11.014 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 72 6.930 9.936 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.797 12.260 -4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.359 12.158 -5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.527 10.477 -4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.926 9.229 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.635 10.907 -3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.223 14.049 -4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.965 12.847 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.426 12.950 -2.638 1.00 0.00 H new ATOM 1132 N ALA A 73 7.804 7.944 -2.815 1.00 0.00 N ATOM 1133 CA ALA A 73 7.633 6.542 -2.453 1.00 0.00 C ATOM 1134 C ALA A 73 8.055 6.294 -1.008 1.00 0.00 C ATOM 1135 O ALA A 73 7.450 5.484 -0.306 1.00 0.00 O ATOM 1136 CB ALA A 73 8.428 5.653 -3.397 1.00 0.00 C ATOM 0 H ALA A 73 8.583 8.124 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 73 6.575 6.294 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.291 4.609 -3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.078 5.802 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.485 5.910 -3.335 1.00 0.00 H new ATOM 1142 N SER A 74 9.096 6.995 -0.572 1.00 0.00 N ATOM 1143 CA SER A 74 9.601 6.846 0.788 1.00 0.00 C ATOM 1144 C SER A 74 8.589 7.368 1.804 1.00 0.00 C ATOM 1145 O SER A 74 8.272 6.693 2.783 1.00 0.00 O ATOM 1146 CB SER A 74 10.929 7.591 0.946 1.00 0.00 C ATOM 1147 OG SER A 74 10.733 8.994 0.916 1.00 0.00 O ATOM 0 H SER A 74 9.606 7.671 -1.140 1.00 0.00 H new ATOM 0 HA SER A 74 9.763 5.784 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.400 7.306 1.887 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.611 7.299 0.147 1.00 0.00 H new ATOM 0 HG SER A 74 10.293 9.245 0.077 1.00 0.00 H new ATOM 1153 N SER A 75 8.085 8.574 1.562 1.00 0.00 N ATOM 1154 CA SER A 75 7.112 9.189 2.456 1.00 0.00 C ATOM 1155 C SER A 75 5.914 8.269 2.670 1.00 0.00 C ATOM 1156 O SER A 75 5.439 8.100 3.794 1.00 0.00 O ATOM 1157 CB SER A 75 6.644 10.531 1.889 1.00 0.00 C ATOM 1158 OG SER A 75 6.677 10.526 0.473 1.00 0.00 O ATOM 0 H SER A 75 8.335 9.144 0.754 1.00 0.00 H new ATOM 0 HA SER A 75 7.595 9.358 3.418 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.631 10.740 2.231 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.280 11.331 2.268 1.00 0.00 H new ATOM 0 HG SER A 75 6.302 9.684 0.140 1.00 0.00 H new ATOM 1164 N LEU A 76 5.429 7.676 1.585 1.00 0.00 N ATOM 1165 CA LEU A 76 4.286 6.773 1.652 1.00 0.00 C ATOM 1166 C LEU A 76 4.501 5.701 2.716 1.00 0.00 C ATOM 1167 O LEU A 76 3.567 5.313 3.419 1.00 0.00 O ATOM 1168 CB LEU A 76 4.050 6.116 0.291 1.00 0.00 C ATOM 1169 CG LEU A 76 3.386 6.993 -0.772 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.674 6.455 -2.164 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.886 7.079 -0.531 1.00 0.00 C ATOM 0 H LEU A 76 5.810 7.804 0.648 1.00 0.00 H new ATOM 0 HA LEU A 76 3.407 7.358 1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.010 5.774 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.433 5.230 0.440 1.00 0.00 H new ATOM 0 HG LEU A 76 3.804 7.997 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.194 7.092 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.750 6.446 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.285 5.440 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.430 7.707 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.452 6.080 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.700 7.512 0.452 1.00 0.00 H new ATOM 1183 N LEU A 77 5.737 5.228 2.831 1.00 0.00 N ATOM 1184 CA LEU A 77 6.076 4.203 3.811 1.00 0.00 C ATOM 1185 C LEU A 77 6.159 4.797 5.214 1.00 0.00 C ATOM 1186 O LEU A 77 5.976 4.095 6.207 1.00 0.00 O ATOM 1187 CB LEU A 77 7.405 3.539 3.446 1.00 0.00 C ATOM 1188 CG LEU A 77 7.315 2.308 2.544 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.695 1.911 2.044 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.661 1.151 3.285 1.00 0.00 C ATOM 0 H LEU A 77 6.521 5.538 2.257 1.00 0.00 H new ATOM 0 HA LEU A 77 5.287 3.451 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.035 4.280 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.910 3.253 4.368 1.00 0.00 H new ATOM 0 HG LEU A 77 6.697 2.557 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.611 1.033 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.127 2.735 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.337 1.680 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.605 0.283 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.253 0.902 4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.656 1.438 3.593 1.00 0.00 H new ATOM 1202 N ASN A 78 6.434 6.095 5.286 1.00 0.00 N ATOM 1203 CA ASN A 78 6.540 6.784 6.567 1.00 0.00 C ATOM 1204 C ASN A 78 5.159 7.035 7.165 1.00 0.00 C ATOM 1205 O ASN A 78 4.990 7.031 8.383 1.00 0.00 O ATOM 1206 CB ASN A 78 7.283 8.111 6.396 1.00 0.00 C ATOM 1207 CG ASN A 78 8.783 7.959 6.564 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.250 7.242 7.450 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.545 8.635 5.713 1.00 0.00 N ATOM 0 H ASN A 78 6.587 6.691 4.473 1.00 0.00 H new ATOM 0 HA ASN A 78 7.102 6.146 7.249 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.070 8.519 5.408 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.909 8.830 7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.561 8.572 5.778 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.115 9.217 4.994 1.00 0.00 H new ATOM 1216 N GLU A 79 4.175 7.253 6.298 1.00 0.00 N ATOM 1217 CA GLU A 79 2.809 7.506 6.741 1.00 0.00 C ATOM 1218 C GLU A 79 2.066 6.196 6.988 1.00 0.00 C ATOM 1219 O GLU A 79 1.246 6.098 7.900 1.00 0.00 O ATOM 1220 CB GLU A 79 2.059 8.343 5.702 1.00 0.00 C ATOM 1221 CG GLU A 79 2.631 9.738 5.517 1.00 0.00 C ATOM 1222 CD GLU A 79 2.195 10.697 6.608 1.00 0.00 C ATOM 1223 OE1 GLU A 79 2.517 10.442 7.787 1.00 0.00 O ATOM 1224 OE2 GLU A 79 1.531 11.704 6.281 1.00 0.00 O ATOM 0 H GLU A 79 4.298 7.259 5.286 1.00 0.00 H new ATOM 0 HA GLU A 79 2.855 8.060 7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.078 7.822 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.014 8.425 5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.719 9.681 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.319 10.129 4.549 1.00 0.00 H new ATOM 1231 N GLY A 80 2.359 5.192 6.167 1.00 0.00 N ATOM 1232 CA GLY A 80 1.710 3.902 6.312 1.00 0.00 C ATOM 1233 C GLY A 80 1.048 3.439 5.029 1.00 0.00 C ATOM 1234 O GLY A 80 0.702 2.266 4.890 1.00 0.00 O ATOM 0 H GLY A 80 3.034 5.249 5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.446 3.162 6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.962 3.962 7.102 1.00 0.00 H new ATOM 1238 N TYR A 81 0.869 4.363 4.091 1.00 0.00 N ATOM 1239 CA TYR A 81 0.240 4.044 2.815 1.00 0.00 C ATOM 1240 C TYR A 81 0.830 2.768 2.220 1.00 0.00 C ATOM 1241 O TYR A 81 0.130 1.990 1.572 1.00 0.00 O ATOM 1242 CB TYR A 81 0.412 5.204 1.834 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.296 6.470 2.263 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.680 6.506 2.387 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.417 7.628 2.542 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.331 7.660 2.778 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.226 8.786 2.934 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.600 8.797 3.051 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.244 9.949 3.440 1.00 0.00 O ATOM 0 H TYR A 81 1.151 5.338 4.191 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.823 3.882 2.993 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.475 5.414 1.716 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.036 4.901 0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.256 5.617 2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.493 7.623 2.451 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.407 7.672 2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.344 9.678 3.148 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.584 10.657 3.594 1.00 0.00 H new ATOM 1259 N LEU A 82 2.123 2.561 2.447 1.00 0.00 N ATOM 1260 CA LEU A 82 2.809 1.380 1.935 1.00 0.00 C ATOM 1261 C LEU A 82 3.527 0.638 3.057 1.00 0.00 C ATOM 1262 O LEU A 82 4.062 1.255 3.978 1.00 0.00 O ATOM 1263 CB LEU A 82 3.810 1.779 0.849 1.00 0.00 C ATOM 1264 CG LEU A 82 3.215 2.370 -0.429 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.307 2.980 -1.294 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.450 1.307 -1.203 1.00 0.00 C ATOM 0 H LEU A 82 2.717 3.195 2.982 1.00 0.00 H new ATOM 0 HA LEU A 82 2.062 0.714 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.504 2.505 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.394 0.899 0.580 1.00 0.00 H new ATOM 0 HG LEU A 82 2.517 3.160 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.864 3.396 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.810 3.772 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.030 2.210 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.034 1.746 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.126 0.495 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.642 0.917 -0.584 1.00 0.00 H new ATOM 1278 N GLN A 83 3.536 -0.688 2.972 1.00 0.00 N ATOM 1279 CA GLN A 83 4.189 -1.514 3.981 1.00 0.00 C ATOM 1280 C GLN A 83 5.229 -2.430 3.344 1.00 0.00 C ATOM 1281 O GLN A 83 4.997 -3.043 2.301 1.00 0.00 O ATOM 1282 CB GLN A 83 3.154 -2.347 4.738 1.00 0.00 C ATOM 1283 CG GLN A 83 2.082 -1.512 5.420 1.00 0.00 C ATOM 1284 CD GLN A 83 2.466 -1.110 6.831 1.00 0.00 C ATOM 1285 OE1 GLN A 83 3.190 -1.830 7.519 1.00 0.00 O ATOM 1286 NE2 GLN A 83 1.981 0.046 7.269 1.00 0.00 N ATOM 0 H GLN A 83 3.099 -1.214 2.215 1.00 0.00 H new ATOM 0 HA GLN A 83 4.695 -0.852 4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.677 -3.038 4.043 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.664 -2.951 5.488 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.894 -0.616 4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.150 -2.076 5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.385 0.611 6.664 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.205 0.369 8.210 1.00 0.00 H new ATOM 1295 N PRO A 84 6.404 -2.527 3.983 1.00 0.00 N ATOM 1296 CA PRO A 84 7.503 -3.366 3.497 1.00 0.00 C ATOM 1297 C PRO A 84 7.198 -4.854 3.628 1.00 0.00 C ATOM 1298 O PRO A 84 6.538 -5.281 4.575 1.00 0.00 O ATOM 1299 CB PRO A 84 8.674 -2.979 4.404 1.00 0.00 C ATOM 1300 CG PRO A 84 8.035 -2.481 5.654 1.00 0.00 C ATOM 1301 CD PRO A 84 6.750 -1.825 5.230 1.00 0.00 C ATOM 0 HA PRO A 84 7.697 -3.208 2.436 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.320 -3.834 4.603 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.295 -2.211 3.943 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.845 -3.300 6.348 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.684 -1.772 6.168 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.972 -1.940 5.985 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.880 -0.755 5.066 1.00 0.00 H new ATOM 1309 N ALA A 85 7.682 -5.640 2.671 1.00 0.00 N ATOM 1310 CA ALA A 85 7.462 -7.081 2.682 1.00 0.00 C ATOM 1311 C ALA A 85 8.740 -7.833 2.325 1.00 0.00 C ATOM 1312 O ALA A 85 9.164 -7.844 1.170 1.00 0.00 O ATOM 1313 CB ALA A 85 6.343 -7.451 1.720 1.00 0.00 C ATOM 0 H ALA A 85 8.229 -5.303 1.879 1.00 0.00 H new ATOM 0 HA ALA A 85 7.170 -7.372 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.189 -8.530 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.424 -6.948 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.613 -7.140 0.711 1.00 0.00 H new ATOM 1319 N GLY A 86 9.350 -8.462 3.325 1.00 0.00 N ATOM 1320 CA GLY A 86 10.574 -9.207 3.096 1.00 0.00 C ATOM 1321 C GLY A 86 11.766 -8.597 3.806 1.00 0.00 C ATOM 1322 O GLY A 86 11.908 -7.375 3.857 1.00 0.00 O ATOM 0 H GLY A 86 9.018 -8.469 4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.439 -10.234 3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.775 -9.249 2.026 1.00 0.00 H new ATOM 1326 N ASP A 87 12.625 -9.448 4.355 1.00 0.00 N ATOM 1327 CA ASP A 87 13.811 -8.986 5.066 1.00 0.00 C ATOM 1328 C ASP A 87 14.530 -7.898 4.274 1.00 0.00 C ATOM 1329 O ASP A 87 15.165 -7.015 4.849 1.00 0.00 O ATOM 1330 CB ASP A 87 14.762 -10.155 5.330 1.00 0.00 C ATOM 1331 CG ASP A 87 14.319 -11.008 6.502 1.00 0.00 C ATOM 1332 OD1 ASP A 87 13.095 -11.131 6.718 1.00 0.00 O ATOM 1333 OD2 ASP A 87 15.196 -11.555 7.203 1.00 0.00 O ATOM 0 H ASP A 87 12.522 -10.462 4.321 1.00 0.00 H new ATOM 0 HA ASP A 87 13.492 -8.565 6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.827 -10.776 4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.763 -9.769 5.523 1.00 0.00 H new ATOM 1338 N MET A 88 14.426 -7.970 2.951 1.00 0.00 N ATOM 1339 CA MET A 88 15.067 -6.991 2.080 1.00 0.00 C ATOM 1340 C MET A 88 14.720 -5.570 2.513 1.00 0.00 C ATOM 1341 O MET A 88 15.582 -4.825 2.978 1.00 0.00 O ATOM 1342 CB MET A 88 14.641 -7.213 0.628 1.00 0.00 C ATOM 1343 CG MET A 88 15.536 -6.513 -0.382 1.00 0.00 C ATOM 1344 SD MET A 88 15.182 -7.002 -2.081 1.00 0.00 S ATOM 1345 CE MET A 88 15.817 -5.589 -2.979 1.00 0.00 C ATOM 0 H MET A 88 13.904 -8.695 2.459 1.00 0.00 H new ATOM 0 HA MET A 88 16.146 -7.123 2.158 1.00 0.00 H new ATOM 0 HB2 MET A 88 14.638 -8.283 0.418 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.618 -6.860 0.500 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.412 -5.434 -0.285 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.578 -6.736 -0.154 1.00 0.00 H new ATOM 0 HE1 MET A 88 14.989 -5.047 -3.437 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.347 -4.929 -2.292 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.502 -5.929 -3.756 1.00 0.00 H new ATOM 1355 N SER A 89 13.453 -5.201 2.355 1.00 0.00 N ATOM 1356 CA SER A 89 12.994 -3.867 2.725 1.00 0.00 C ATOM 1357 C SER A 89 12.945 -3.711 4.242 1.00 0.00 C ATOM 1358 O SER A 89 13.356 -2.686 4.786 1.00 0.00 O ATOM 1359 CB SER A 89 11.611 -3.597 2.129 1.00 0.00 C ATOM 1360 OG SER A 89 11.217 -2.253 2.342 1.00 0.00 O ATOM 0 H SER A 89 12.726 -5.807 1.973 1.00 0.00 H new ATOM 0 HA SER A 89 13.703 -3.142 2.325 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.624 -3.810 1.060 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.880 -4.269 2.579 1.00 0.00 H new ATOM 0 HG SER A 89 10.612 -1.972 1.624 1.00 0.00 H new ATOM 1366 N LYS A 90 12.441 -4.736 4.920 1.00 0.00 N ATOM 1367 CA LYS A 90 12.338 -4.716 6.374 1.00 0.00 C ATOM 1368 C LYS A 90 13.650 -4.261 7.006 1.00 0.00 C ATOM 1369 O LYS A 90 13.677 -3.823 8.156 1.00 0.00 O ATOM 1370 CB LYS A 90 11.962 -6.104 6.899 1.00 0.00 C ATOM 1371 CG LYS A 90 10.464 -6.329 7.002 1.00 0.00 C ATOM 1372 CD LYS A 90 10.144 -7.695 7.587 1.00 0.00 C ATOM 1373 CE LYS A 90 8.696 -8.084 7.334 1.00 0.00 C ATOM 1374 NZ LYS A 90 8.457 -9.531 7.595 1.00 0.00 N ATOM 0 H LYS A 90 12.097 -5.592 4.485 1.00 0.00 H new ATOM 0 HA LYS A 90 11.557 -4.007 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.390 -6.860 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.411 -6.245 7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.021 -5.552 7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.013 -6.241 6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.805 -8.443 7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.338 -7.687 8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.043 -7.487 7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.433 -7.853 6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.459 -9.757 7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.062 -10.101 6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.684 -9.747 8.587 1.00 0.00 H new ATOM 1388 N SER A 91 14.736 -4.366 6.246 1.00 0.00 N ATOM 1389 CA SER A 91 16.051 -3.967 6.732 1.00 0.00 C ATOM 1390 C SER A 91 16.299 -2.484 6.474 1.00 0.00 C ATOM 1391 O SER A 91 16.931 -1.800 7.278 1.00 0.00 O ATOM 1392 CB SER A 91 17.142 -4.803 6.060 1.00 0.00 C ATOM 1393 OG SER A 91 18.431 -4.386 6.473 1.00 0.00 O ATOM 0 H SER A 91 14.730 -4.724 5.291 1.00 0.00 H new ATOM 0 HA SER A 91 16.081 -4.141 7.808 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.001 -5.856 6.305 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.057 -4.714 4.977 1.00 0.00 H new ATOM 0 HG SER A 91 19.110 -4.937 6.031 1.00 0.00 H new ATOM 1399 N ALA A 92 15.797 -1.995 5.345 1.00 0.00 N ATOM 1400 CA ALA A 92 15.961 -0.593 4.980 1.00 0.00 C ATOM 1401 C ALA A 92 15.030 0.299 5.794 1.00 0.00 C ATOM 1402 O ALA A 92 15.324 1.472 6.027 1.00 0.00 O ATOM 1403 CB ALA A 92 15.711 -0.402 3.491 1.00 0.00 C ATOM 0 H ALA A 92 15.273 -2.549 4.667 1.00 0.00 H new ATOM 0 HA ALA A 92 16.987 -0.303 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.837 0.649 3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.421 -1.003 2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.695 -0.716 3.249 1.00 0.00 H new ATOM 1409 N VAL A 93 13.905 -0.264 6.224 1.00 0.00 N ATOM 1410 CA VAL A 93 12.930 0.481 7.012 1.00 0.00 C ATOM 1411 C VAL A 93 13.309 0.490 8.489 1.00 0.00 C ATOM 1412 O VAL A 93 12.930 1.395 9.232 1.00 0.00 O ATOM 1413 CB VAL A 93 11.516 -0.110 6.860 1.00 0.00 C ATOM 1414 CG1 VAL A 93 11.094 -0.115 5.399 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.460 -1.513 7.444 1.00 0.00 C ATOM 0 H VAL A 93 13.646 -1.233 6.040 1.00 0.00 H new ATOM 0 HA VAL A 93 12.931 1.503 6.633 1.00 0.00 H new ATOM 0 HB VAL A 93 10.817 0.517 7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.092 -0.536 5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.093 0.906 5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.793 -0.718 4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.454 -1.915 7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.170 -2.154 6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.717 -1.477 8.503 1.00 0.00 H new ATOM 1425 N ASP A 94 14.060 -0.523 8.907 1.00 0.00 N ATOM 1426 CA ASP A 94 14.493 -0.632 10.295 1.00 0.00 C ATOM 1427 C ASP A 94 15.840 0.054 10.500 1.00 0.00 C ATOM 1428 O ASP A 94 16.048 0.754 11.490 1.00 0.00 O ATOM 1429 CB ASP A 94 14.586 -2.102 10.709 1.00 0.00 C ATOM 1430 CG ASP A 94 15.202 -2.278 12.083 1.00 0.00 C ATOM 1431 OD1 ASP A 94 16.408 -1.992 12.233 1.00 0.00 O ATOM 1432 OD2 ASP A 94 14.478 -2.703 13.008 1.00 0.00 O ATOM 0 H ASP A 94 14.382 -1.280 8.304 1.00 0.00 H new ATOM 0 HA ASP A 94 13.753 -0.133 10.921 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.589 -2.542 10.702 1.00 0.00 H new ATOM 0 HB3 ASP A 94 15.180 -2.646 9.975 1.00 0.00 H new ATOM 1437 N GLY A 95 16.754 -0.155 9.557 1.00 0.00 N ATOM 1438 CA GLY A 95 18.070 0.449 9.653 1.00 0.00 C ATOM 1439 C GLY A 95 18.013 1.964 9.675 1.00 0.00 C ATOM 1440 O GLY A 95 16.971 2.558 9.400 1.00 0.00 O ATOM 0 H GLY A 95 16.606 -0.732 8.729 1.00 0.00 H new ATOM 0 HA2 GLY A 95 18.564 0.094 10.557 1.00 0.00 H new ATOM 0 HA3 GLY A 95 18.678 0.124 8.809 1.00 0.00 H new ATOM 1444 N THR A 96 19.137 2.592 10.007 1.00 0.00 N ATOM 1445 CA THR A 96 19.211 4.046 10.067 1.00 0.00 C ATOM 1446 C THR A 96 19.511 4.639 8.695 1.00 0.00 C ATOM 1447 O THR A 96 20.653 4.986 8.395 1.00 0.00 O ATOM 1448 CB THR A 96 20.289 4.513 11.063 1.00 0.00 C ATOM 1449 OG1 THR A 96 21.507 3.794 10.840 1.00 0.00 O ATOM 1450 CG2 THR A 96 19.827 4.306 12.497 1.00 0.00 C ATOM 0 H THR A 96 20.009 2.116 10.238 1.00 0.00 H new ATOM 0 HA THR A 96 18.237 4.398 10.406 1.00 0.00 H new ATOM 0 HB THR A 96 20.462 5.577 10.904 1.00 0.00 H new ATOM 0 HG1 THR A 96 21.792 3.914 9.910 1.00 0.00 H new ATOM 0 HG21 THR A 96 20.605 4.643 13.182 1.00 0.00 H new ATOM 0 HG22 THR A 96 18.916 4.879 12.672 1.00 0.00 H new ATOM 0 HG23 THR A 96 19.628 3.248 12.666 1.00 0.00 H new ATOM 1458 N ALA A 97 18.479 4.752 7.865 1.00 0.00 N ATOM 1459 CA ALA A 97 18.633 5.306 6.526 1.00 0.00 C ATOM 1460 C ALA A 97 17.663 6.459 6.294 1.00 0.00 C ATOM 1461 O ALA A 97 16.645 6.572 6.976 1.00 0.00 O ATOM 1462 CB ALA A 97 18.426 4.221 5.479 1.00 0.00 C ATOM 0 H ALA A 97 17.527 4.467 8.097 1.00 0.00 H new ATOM 0 HA ALA A 97 19.647 5.695 6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 97 18.544 4.649 4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 97 19.162 3.430 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 97 17.423 3.806 5.579 1.00 0.00 H new ATOM 1468 N GLU A 98 17.986 7.313 5.327 1.00 0.00 N ATOM 1469 CA GLU A 98 17.142 8.459 5.008 1.00 0.00 C ATOM 1470 C GLU A 98 15.900 8.021 4.237 1.00 0.00 C ATOM 1471 O GLU A 98 14.792 8.480 4.513 1.00 0.00 O ATOM 1472 CB GLU A 98 17.927 9.486 4.190 1.00 0.00 C ATOM 1473 CG GLU A 98 18.505 8.925 2.901 1.00 0.00 C ATOM 1474 CD GLU A 98 19.416 9.909 2.193 1.00 0.00 C ATOM 1475 OE1 GLU A 98 20.165 10.628 2.887 1.00 0.00 O ATOM 1476 OE2 GLU A 98 19.379 9.960 0.946 1.00 0.00 O ATOM 0 H GLU A 98 18.825 7.233 4.752 1.00 0.00 H new ATOM 0 HA GLU A 98 16.825 8.917 5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.272 10.324 3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 98 18.739 9.880 4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.062 8.015 3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.690 8.645 2.233 1.00 0.00 H new ATOM 1483 N ASN A 99 16.093 7.131 3.270 1.00 0.00 N ATOM 1484 CA ASN A 99 14.990 6.631 2.458 1.00 0.00 C ATOM 1485 C ASN A 99 14.769 5.141 2.697 1.00 0.00 C ATOM 1486 O ASN A 99 15.502 4.291 2.190 1.00 0.00 O ATOM 1487 CB ASN A 99 15.264 6.886 0.975 1.00 0.00 C ATOM 1488 CG ASN A 99 15.737 8.303 0.709 1.00 0.00 C ATOM 1489 OD1 ASN A 99 15.052 9.270 1.040 1.00 0.00 O ATOM 1490 ND2 ASN A 99 16.915 8.430 0.109 1.00 0.00 N ATOM 0 H ASN A 99 17.004 6.741 3.029 1.00 0.00 H new ATOM 0 HA ASN A 99 14.086 7.165 2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 99 16.017 6.182 0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.356 6.696 0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 99 17.286 9.358 -0.095 1.00 0.00 H new ATOM 0 HD22 ASN A 99 17.449 7.600 -0.148 1.00 0.00 H new ATOM 1497 N PRO A 100 13.736 4.814 3.487 1.00 0.00 N ATOM 1498 CA PRO A 100 13.394 3.426 3.810 1.00 0.00 C ATOM 1499 C PRO A 100 12.840 2.670 2.608 1.00 0.00 C ATOM 1500 O PRO A 100 12.466 1.502 2.714 1.00 0.00 O ATOM 1501 CB PRO A 100 12.321 3.568 4.893 1.00 0.00 C ATOM 1502 CG PRO A 100 11.713 4.905 4.651 1.00 0.00 C ATOM 1503 CD PRO A 100 12.821 5.775 4.125 1.00 0.00 C ATOM 0 HA PRO A 100 14.267 2.855 4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.576 2.775 4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.755 3.505 5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.896 4.838 3.933 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.297 5.317 5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.450 6.511 3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.313 6.327 4.926 1.00 0.00 H new ATOM 1511 N PHE A 101 12.790 3.343 1.463 1.00 0.00 N ATOM 1512 CA PHE A 101 12.281 2.735 0.240 1.00 0.00 C ATOM 1513 C PHE A 101 13.427 2.265 -0.652 1.00 0.00 C ATOM 1514 O PHE A 101 14.543 2.780 -0.571 1.00 0.00 O ATOM 1515 CB PHE A 101 11.402 3.729 -0.522 1.00 0.00 C ATOM 1516 CG PHE A 101 10.477 3.077 -1.510 1.00 0.00 C ATOM 1517 CD1 PHE A 101 10.928 2.723 -2.771 1.00 0.00 C ATOM 1518 CD2 PHE A 101 9.158 2.818 -1.176 1.00 0.00 C ATOM 1519 CE1 PHE A 101 10.078 2.123 -3.682 1.00 0.00 C ATOM 1520 CE2 PHE A 101 8.303 2.219 -2.083 1.00 0.00 C ATOM 1521 CZ PHE A 101 8.765 1.870 -3.337 1.00 0.00 C ATOM 0 H PHE A 101 13.096 4.310 1.357 1.00 0.00 H new ATOM 0 HA PHE A 101 11.681 1.869 0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.812 4.302 0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.041 4.438 -1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.954 2.918 -3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 101 8.793 3.087 -0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 101 10.441 1.852 -4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.276 2.024 -1.811 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.100 1.400 -4.047 1.00 0.00 H new ATOM 1531 N LEU A 102 13.144 1.284 -1.502 1.00 0.00 N ATOM 1532 CA LEU A 102 14.150 0.743 -2.409 1.00 0.00 C ATOM 1533 C LEU A 102 13.608 0.653 -3.832 1.00 0.00 C ATOM 1534 O LEU A 102 12.667 -0.094 -4.102 1.00 0.00 O ATOM 1535 CB LEU A 102 14.602 -0.639 -1.935 1.00 0.00 C ATOM 1536 CG LEU A 102 14.918 -0.767 -0.444 1.00 0.00 C ATOM 1537 CD1 LEU A 102 14.780 -2.212 0.009 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.316 -0.244 -0.148 1.00 0.00 C ATOM 0 H LEU A 102 12.226 0.847 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 102 15.006 1.418 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.823 -1.359 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.490 -0.922 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 102 14.201 -0.164 0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.009 -2.283 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.759 -2.552 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.473 -2.838 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.523 -0.343 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.047 -0.820 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.380 0.806 -0.434 1.00 0.00 H new ATOM 1550 N ASP A 103 14.208 1.417 -4.737 1.00 0.00 N ATOM 1551 CA ASP A 103 13.788 1.421 -6.134 1.00 0.00 C ATOM 1552 C ASP A 103 14.269 0.163 -6.850 1.00 0.00 C ATOM 1553 O ASP A 103 14.774 0.229 -7.970 1.00 0.00 O ATOM 1554 CB ASP A 103 14.323 2.664 -6.846 1.00 0.00 C ATOM 1555 CG ASP A 103 14.063 2.633 -8.339 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.081 1.984 -8.758 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.842 3.257 -9.090 1.00 0.00 O ATOM 0 H ASP A 103 14.987 2.042 -4.529 1.00 0.00 H new ATOM 0 HA ASP A 103 12.698 1.438 -6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.859 3.552 -6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.395 2.748 -6.669 1.00 0.00 H new ATOM 1562 N ASN A 104 14.110 -0.983 -6.194 1.00 0.00 N ATOM 1563 CA ASN A 104 14.530 -2.256 -6.768 1.00 0.00 C ATOM 1564 C ASN A 104 13.323 -3.125 -7.106 1.00 0.00 C ATOM 1565 O ASN A 104 12.321 -3.146 -6.391 1.00 0.00 O ATOM 1566 CB ASN A 104 15.450 -2.998 -5.796 1.00 0.00 C ATOM 1567 CG ASN A 104 16.918 -2.769 -6.100 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.302 -2.575 -7.253 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.747 -2.789 -5.062 1.00 0.00 N ATOM 0 H ASN A 104 13.694 -1.055 -5.266 1.00 0.00 H new ATOM 0 HA ASN A 104 15.075 -2.049 -7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.237 -2.672 -4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.235 -4.066 -5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.746 -2.640 -5.204 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.384 -2.954 -4.123 1.00 0.00 H new ATOM 1576 N PRO A 105 13.418 -3.861 -8.224 1.00 0.00 N ATOM 1577 CA PRO A 105 12.343 -4.746 -8.683 1.00 0.00 C ATOM 1578 C PRO A 105 12.169 -5.962 -7.780 1.00 0.00 C ATOM 1579 O PRO A 105 11.184 -6.693 -7.889 1.00 0.00 O ATOM 1580 CB PRO A 105 12.809 -5.177 -10.076 1.00 0.00 C ATOM 1581 CG PRO A 105 14.293 -5.046 -10.036 1.00 0.00 C ATOM 1582 CD PRO A 105 14.582 -3.885 -9.125 1.00 0.00 C ATOM 0 HA PRO A 105 11.374 -4.247 -8.678 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.508 -6.201 -10.295 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.376 -4.545 -10.851 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.755 -5.960 -9.662 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.696 -4.869 -11.033 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.513 -4.027 -8.576 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.679 -2.952 -9.681 1.00 0.00 H new ATOM 1590 N ASP A 106 13.130 -6.173 -6.887 1.00 0.00 N ATOM 1591 CA ASP A 106 13.082 -7.301 -5.964 1.00 0.00 C ATOM 1592 C ASP A 106 12.261 -6.955 -4.726 1.00 0.00 C ATOM 1593 O ASP A 106 11.440 -7.751 -4.271 1.00 0.00 O ATOM 1594 CB ASP A 106 14.497 -7.712 -5.553 1.00 0.00 C ATOM 1595 CG ASP A 106 15.202 -8.514 -6.630 1.00 0.00 C ATOM 1596 OD1 ASP A 106 14.505 -9.164 -7.438 1.00 0.00 O ATOM 1597 OD2 ASP A 106 16.450 -8.492 -6.664 1.00 0.00 O ATOM 0 H ASP A 106 13.952 -5.578 -6.783 1.00 0.00 H new ATOM 0 HA ASP A 106 12.603 -8.136 -6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.081 -6.819 -5.328 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.450 -8.301 -4.637 1.00 0.00 H new ATOM 1602 N ALA A 107 12.489 -5.762 -4.185 1.00 0.00 N ATOM 1603 CA ALA A 107 11.769 -5.310 -3.001 1.00 0.00 C ATOM 1604 C ALA A 107 10.261 -5.413 -3.202 1.00 0.00 C ATOM 1605 O ALA A 107 9.725 -4.939 -4.204 1.00 0.00 O ATOM 1606 CB ALA A 107 12.162 -3.881 -2.658 1.00 0.00 C ATOM 0 H ALA A 107 13.167 -5.092 -4.548 1.00 0.00 H new ATOM 0 HA ALA A 107 12.043 -5.960 -2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.617 -3.556 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.233 -3.835 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 107 11.918 -3.226 -3.494 1.00 0.00 H new ATOM 1612 N PHE A 108 9.582 -6.036 -2.245 1.00 0.00 N ATOM 1613 CA PHE A 108 8.135 -6.203 -2.318 1.00 0.00 C ATOM 1614 C PHE A 108 7.426 -5.199 -1.415 1.00 0.00 C ATOM 1615 O PHE A 108 7.946 -4.814 -0.367 1.00 0.00 O ATOM 1616 CB PHE A 108 7.744 -7.628 -1.921 1.00 0.00 C ATOM 1617 CG PHE A 108 8.633 -8.682 -2.517 1.00 0.00 C ATOM 1618 CD1 PHE A 108 8.789 -8.780 -3.890 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.314 -9.574 -1.704 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.606 -9.749 -4.442 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.133 -10.544 -2.250 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.279 -10.632 -3.620 1.00 0.00 C ATOM 0 H PHE A 108 10.011 -6.434 -1.409 1.00 0.00 H new ATOM 0 HA PHE A 108 7.825 -6.022 -3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.770 -7.714 -0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.716 -7.814 -2.231 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.266 -8.091 -4.537 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.203 -9.510 -0.632 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.718 -9.816 -5.514 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.659 -11.233 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 108 10.918 -11.390 -4.048 1.00 0.00 H new ATOM 1632 N TYR A 109 6.236 -4.777 -1.829 1.00 0.00 N ATOM 1633 CA TYR A 109 5.456 -3.815 -1.060 1.00 0.00 C ATOM 1634 C TYR A 109 3.961 -4.079 -1.214 1.00 0.00 C ATOM 1635 O TYR A 109 3.520 -4.654 -2.209 1.00 0.00 O ATOM 1636 CB TYR A 109 5.782 -2.389 -1.506 1.00 0.00 C ATOM 1637 CG TYR A 109 7.244 -2.030 -1.364 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.739 -1.508 -0.176 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.130 -2.213 -2.419 1.00 0.00 C ATOM 1640 CE1 TYR A 109 9.074 -1.177 -0.042 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.467 -1.887 -2.294 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.934 -1.369 -1.104 1.00 0.00 C ATOM 1643 OH TYR A 109 11.264 -1.043 -0.974 1.00 0.00 O ATOM 0 H TYR A 109 5.791 -5.086 -2.693 1.00 0.00 H new ATOM 0 HA TYR A 109 5.721 -3.929 -0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.486 -2.266 -2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.186 -1.689 -0.921 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.069 -1.358 0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.767 -2.617 -3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.442 -0.770 0.888 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.142 -2.037 -3.123 1.00 0.00 H new ATOM 0 HH TYR A 109 11.731 -1.759 -0.495 1.00 0.00 H new ATOM 1653 N TYR A 110 3.187 -3.654 -0.222 1.00 0.00 N ATOM 1654 CA TYR A 110 1.742 -3.845 -0.245 1.00 0.00 C ATOM 1655 C TYR A 110 1.033 -2.729 0.518 1.00 0.00 C ATOM 1656 O TYR A 110 1.648 -2.012 1.307 1.00 0.00 O ATOM 1657 CB TYR A 110 1.376 -5.202 0.359 1.00 0.00 C ATOM 1658 CG TYR A 110 1.784 -5.351 1.807 1.00 0.00 C ATOM 1659 CD1 TYR A 110 0.957 -4.905 2.831 1.00 0.00 C ATOM 1660 CD2 TYR A 110 2.995 -5.937 2.151 1.00 0.00 C ATOM 1661 CE1 TYR A 110 1.326 -5.038 4.156 1.00 0.00 C ATOM 1662 CE2 TYR A 110 3.372 -6.075 3.473 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.534 -5.624 4.472 1.00 0.00 C ATOM 1664 OH TYR A 110 2.906 -5.760 5.789 1.00 0.00 O ATOM 0 H TYR A 110 3.536 -3.175 0.608 1.00 0.00 H new ATOM 0 HA TYR A 110 1.414 -3.817 -1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.299 -5.348 0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.850 -5.990 -0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.010 -4.447 2.587 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.654 -6.291 1.372 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.672 -4.685 4.940 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.317 -6.533 3.723 1.00 0.00 H new ATOM 0 HH TYR A 110 3.783 -6.194 5.838 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.266 -2.589 0.275 1.00 0.00 N ATOM 1675 CA PHE A 111 -1.061 -1.561 0.938 1.00 0.00 C ATOM 1676 C PHE A 111 -1.718 -2.111 2.201 1.00 0.00 C ATOM 1677 O PHE A 111 -2.083 -3.284 2.280 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.131 -1.022 -0.014 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.575 -0.501 -1.308 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.757 0.618 -1.325 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.869 -1.130 -2.507 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.245 1.099 -2.515 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.360 -0.653 -3.700 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.545 0.463 -3.704 1.00 0.00 C ATOM 0 H PHE A 111 -0.790 -3.174 -0.376 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.394 -0.747 1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.847 -1.815 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.680 -0.223 0.484 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.517 1.119 -0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.504 -2.004 -2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.390 1.973 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.599 -1.152 -4.628 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.144 0.837 -4.634 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.871 -1.244 3.212 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.484 -1.619 4.490 1.00 0.00 C ATOM 1696 C PRO A 112 -3.980 -1.884 4.360 1.00 0.00 C ATOM 1697 O PRO A 112 -4.555 -2.647 5.136 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.232 -0.397 5.377 1.00 0.00 C ATOM 1699 CG PRO A 112 -2.095 0.740 4.424 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.459 0.169 3.187 1.00 0.00 C ATOM 0 HA PRO A 112 -2.065 -2.544 4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.057 -0.235 6.071 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.330 -0.522 5.977 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.067 1.178 4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.480 1.533 4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.809 0.673 2.286 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.374 0.272 3.209 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.605 -1.248 3.375 1.00 0.00 N ATOM 1709 CA ASP A 113 -6.035 -1.416 3.142 1.00 0.00 C ATOM 1710 C ASP A 113 -6.328 -2.777 2.519 1.00 0.00 C ATOM 1711 O ASP A 113 -7.274 -3.460 2.910 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.560 -0.302 2.236 1.00 0.00 C ATOM 1713 CG ASP A 113 -8.073 -0.213 2.246 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -8.684 -0.614 3.258 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -8.647 0.257 1.240 1.00 0.00 O ATOM 0 H ASP A 113 -4.144 -0.611 2.725 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.544 -1.361 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.141 0.651 2.557 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -6.216 -0.474 1.216 1.00 0.00 H new ATOM 1720 N SER A 114 -5.510 -3.165 1.545 1.00 0.00 N ATOM 1721 CA SER A 114 -5.684 -4.442 0.863 1.00 0.00 C ATOM 1722 C SER A 114 -5.461 -5.606 1.824 1.00 0.00 C ATOM 1723 O SER A 114 -5.050 -5.411 2.967 1.00 0.00 O ATOM 1724 CB SER A 114 -4.718 -4.549 -0.318 1.00 0.00 C ATOM 1725 OG SER A 114 -5.246 -5.386 -1.333 1.00 0.00 O ATOM 0 H SER A 114 -4.720 -2.613 1.211 1.00 0.00 H new ATOM 0 HA SER A 114 -6.708 -4.491 0.492 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.524 -3.556 -0.725 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.762 -4.945 0.024 1.00 0.00 H new ATOM 0 HG SER A 114 -4.611 -5.437 -2.078 1.00 0.00 H new ATOM 1731 N GLY A 115 -5.736 -6.817 1.351 1.00 0.00 N ATOM 1732 CA GLY A 115 -5.560 -7.995 2.180 1.00 0.00 C ATOM 1733 C GLY A 115 -4.326 -8.791 1.802 1.00 0.00 C ATOM 1734 O GLY A 115 -4.386 -9.675 0.947 1.00 0.00 O ATOM 0 H GLY A 115 -6.078 -7.004 0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.488 -7.693 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.440 -8.632 2.093 1.00 0.00 H new ATOM 1738 N PHE A 116 -3.203 -8.477 2.440 1.00 0.00 N ATOM 1739 CA PHE A 116 -1.949 -9.167 2.164 1.00 0.00 C ATOM 1740 C PHE A 116 -1.799 -10.399 3.051 1.00 0.00 C ATOM 1741 O PHE A 116 -2.141 -10.372 4.234 1.00 0.00 O ATOM 1742 CB PHE A 116 -0.764 -8.223 2.380 1.00 0.00 C ATOM 1743 CG PHE A 116 0.506 -8.931 2.755 1.00 0.00 C ATOM 1744 CD1 PHE A 116 1.325 -9.476 1.779 1.00 0.00 C ATOM 1745 CD2 PHE A 116 0.882 -9.051 4.083 1.00 0.00 C ATOM 1746 CE1 PHE A 116 2.494 -10.129 2.121 1.00 0.00 C ATOM 1747 CE2 PHE A 116 2.050 -9.702 4.431 1.00 0.00 C ATOM 1748 CZ PHE A 116 2.858 -10.241 3.449 1.00 0.00 C ATOM 0 H PHE A 116 -3.136 -7.749 3.152 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.963 -9.490 1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -0.595 -7.650 1.468 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.017 -7.509 3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 116 1.047 -9.389 0.739 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.255 -8.631 4.855 1.00 0.00 H new ATOM 0 HE1 PHE A 116 3.122 -10.551 1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 116 2.331 -9.789 5.470 1.00 0.00 H new ATOM 0 HZ PHE A 116 3.772 -10.749 3.719 1.00 0.00 H new ATOM 1758 N PHE A 117 -1.288 -11.480 2.472 1.00 0.00 N ATOM 1759 CA PHE A 117 -1.094 -12.724 3.208 1.00 0.00 C ATOM 1760 C PHE A 117 0.174 -13.437 2.748 1.00 0.00 C ATOM 1761 O PHE A 117 0.453 -13.520 1.551 1.00 0.00 O ATOM 1762 CB PHE A 117 -2.304 -13.642 3.027 1.00 0.00 C ATOM 1763 CG PHE A 117 -2.238 -14.483 1.784 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -1.387 -15.574 1.714 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.026 -14.181 0.685 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -1.323 -16.349 0.571 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -2.966 -14.952 -0.461 1.00 0.00 C ATOM 1768 CZ PHE A 117 -2.115 -16.038 -0.517 1.00 0.00 C ATOM 0 H PHE A 117 -1.000 -11.520 1.494 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.988 -12.479 4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.387 -14.296 3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.209 -13.035 2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.766 -15.822 2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.695 -13.334 0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -0.655 -17.196 0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.584 -14.705 -1.312 1.00 0.00 H new ATOM 0 HZ PHE A 117 -2.069 -16.643 -1.410 1.00 0.00 H new ATOM 1778 N CYS A 118 0.938 -13.950 3.706 1.00 0.00 N ATOM 1779 CA CYS A 118 2.177 -14.655 3.401 1.00 0.00 C ATOM 1780 C CYS A 118 2.025 -16.153 3.645 1.00 0.00 C ATOM 1781 O CYS A 118 1.656 -16.578 4.739 1.00 0.00 O ATOM 1782 CB CYS A 118 3.325 -14.101 4.246 1.00 0.00 C ATOM 1783 SG CYS A 118 3.127 -14.368 6.024 1.00 0.00 S ATOM 0 H CYS A 118 0.721 -13.891 4.701 1.00 0.00 H new ATOM 0 HA CYS A 118 2.405 -14.499 2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 118 4.257 -14.563 3.921 1.00 0.00 H new ATOM 0 HB3 CYS A 118 3.417 -13.031 4.058 1.00 0.00 H new ATOM 0 HG CYS A 118 2.408 -15.432 6.226 1.00 0.00 H new ATOM 1789 N GLU A 119 2.311 -16.947 2.618 1.00 0.00 N ATOM 1790 CA GLU A 119 2.203 -18.397 2.722 1.00 0.00 C ATOM 1791 C GLU A 119 3.584 -19.048 2.713 1.00 0.00 C ATOM 1792 O GLU A 119 4.414 -18.752 1.853 1.00 0.00 O ATOM 1793 CB GLU A 119 1.359 -18.952 1.573 1.00 0.00 C ATOM 1794 CG GLU A 119 1.910 -18.619 0.197 1.00 0.00 C ATOM 1795 CD GLU A 119 0.893 -18.836 -0.907 1.00 0.00 C ATOM 1796 OE1 GLU A 119 0.554 -20.007 -1.179 1.00 0.00 O ATOM 1797 OE2 GLU A 119 0.436 -17.836 -1.499 1.00 0.00 O ATOM 0 H GLU A 119 2.619 -16.611 1.706 1.00 0.00 H new ATOM 0 HA GLU A 119 1.715 -18.632 3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.289 -20.035 1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.346 -18.558 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 119 2.239 -17.580 0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.788 -19.234 0.003 1.00 0.00 H new ATOM 1804 N GLU A 120 3.821 -19.933 3.675 1.00 0.00 N ATOM 1805 CA GLU A 120 5.101 -20.624 3.778 1.00 0.00 C ATOM 1806 C GLU A 120 5.141 -21.837 2.853 1.00 0.00 C ATOM 1807 O GLU A 120 4.582 -22.887 3.165 1.00 0.00 O ATOM 1808 CB GLU A 120 5.355 -21.062 5.222 1.00 0.00 C ATOM 1809 CG GLU A 120 6.009 -19.990 6.077 1.00 0.00 C ATOM 1810 CD GLU A 120 5.990 -20.331 7.555 1.00 0.00 C ATOM 1811 OE1 GLU A 120 4.967 -20.056 8.215 1.00 0.00 O ATOM 1812 OE2 GLU A 120 7.001 -20.872 8.051 1.00 0.00 O ATOM 0 H GLU A 120 3.144 -20.189 4.394 1.00 0.00 H new ATOM 0 HA GLU A 120 5.884 -19.930 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.408 -21.350 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.989 -21.948 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.040 -19.851 5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.495 -19.042 5.920 1.00 0.00 H new ATOM 1819 N ASN A 121 5.806 -21.682 1.712 1.00 0.00 N ATOM 1820 CA ASN A 121 5.918 -22.763 0.740 1.00 0.00 C ATOM 1821 C ASN A 121 6.403 -24.046 1.408 1.00 0.00 C ATOM 1822 O ASN A 121 5.849 -25.122 1.184 1.00 0.00 O ATOM 1823 CB ASN A 121 6.875 -22.367 -0.386 1.00 0.00 C ATOM 1824 CG ASN A 121 7.448 -23.571 -1.108 1.00 0.00 C ATOM 1825 OD1 ASN A 121 8.656 -23.806 -1.085 1.00 0.00 O ATOM 1826 ND2 ASN A 121 6.580 -24.341 -1.755 1.00 0.00 N ATOM 0 H ASN A 121 6.275 -20.819 1.438 1.00 0.00 H new ATOM 0 HA ASN A 121 4.929 -22.945 0.319 1.00 0.00 H new ATOM 0 HB2 ASN A 121 6.349 -21.735 -1.101 1.00 0.00 H new ATOM 0 HB3 ASN A 121 7.690 -21.772 0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 121 6.907 -25.165 -2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 121 5.587 -24.108 -1.747 1.00 0.00 H new ATOM 1833 N SER A 122 7.442 -23.924 2.228 1.00 0.00 N ATOM 1834 CA SER A 122 8.004 -25.074 2.926 1.00 0.00 C ATOM 1835 C SER A 122 7.333 -25.269 4.282 1.00 0.00 C ATOM 1836 O SER A 122 6.762 -24.335 4.844 1.00 0.00 O ATOM 1837 CB SER A 122 9.513 -24.897 3.112 1.00 0.00 C ATOM 1838 OG SER A 122 10.155 -26.147 3.293 1.00 0.00 O ATOM 0 H SER A 122 7.912 -23.040 2.425 1.00 0.00 H new ATOM 0 HA SER A 122 7.821 -25.961 2.319 1.00 0.00 H new ATOM 0 HB2 SER A 122 9.933 -24.392 2.242 1.00 0.00 H new ATOM 0 HB3 SER A 122 9.704 -24.258 3.975 1.00 0.00 H new ATOM 0 HG SER A 122 11.118 -26.007 3.408 1.00 0.00 H new ATOM 1844 N GLY A 123 7.405 -26.491 4.801 1.00 0.00 N ATOM 1845 CA GLY A 123 6.800 -26.787 6.087 1.00 0.00 C ATOM 1846 C GLY A 123 7.572 -27.835 6.863 1.00 0.00 C ATOM 1847 O GLY A 123 8.766 -28.044 6.647 1.00 0.00 O ATOM 0 H GLY A 123 7.871 -27.281 4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 123 6.742 -25.872 6.677 1.00 0.00 H new ATOM 0 HA3 GLY A 123 5.778 -27.133 5.933 1.00 0.00 H new ATOM 1851 N PRO A 124 6.885 -28.515 7.793 1.00 0.00 N ATOM 1852 CA PRO A 124 7.494 -29.557 8.623 1.00 0.00 C ATOM 1853 C PRO A 124 7.840 -30.809 7.823 1.00 0.00 C ATOM 1854 O PRO A 124 7.019 -31.716 7.686 1.00 0.00 O ATOM 1855 CB PRO A 124 6.409 -29.867 9.657 1.00 0.00 C ATOM 1856 CG PRO A 124 5.132 -29.488 8.991 1.00 0.00 C ATOM 1857 CD PRO A 124 5.459 -28.319 8.103 1.00 0.00 C ATOM 0 HA PRO A 124 8.437 -29.229 9.060 1.00 0.00 H new ATOM 0 HB2 PRO A 124 6.414 -30.922 9.932 1.00 0.00 H new ATOM 0 HB3 PRO A 124 6.562 -29.298 10.574 1.00 0.00 H new ATOM 0 HG2 PRO A 124 4.733 -30.320 8.410 1.00 0.00 H new ATOM 0 HG3 PRO A 124 4.373 -29.219 9.726 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.848 -28.317 7.200 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.284 -27.369 8.608 1.00 0.00 H new ATOM 1865 N SER A 125 9.059 -30.850 7.296 1.00 0.00 N ATOM 1866 CA SER A 125 9.512 -31.989 6.506 1.00 0.00 C ATOM 1867 C SER A 125 10.164 -33.043 7.396 1.00 0.00 C ATOM 1868 O SER A 125 11.353 -32.960 7.707 1.00 0.00 O ATOM 1869 CB SER A 125 10.500 -31.531 5.431 1.00 0.00 C ATOM 1870 OG SER A 125 11.087 -32.640 4.772 1.00 0.00 O ATOM 0 H SER A 125 9.751 -30.108 7.402 1.00 0.00 H new ATOM 0 HA SER A 125 8.642 -32.434 6.024 1.00 0.00 H new ATOM 0 HB2 SER A 125 9.986 -30.902 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.280 -30.920 5.886 1.00 0.00 H new ATOM 0 HG SER A 125 11.713 -32.321 4.089 1.00 0.00 H new ATOM 1876 N SER A 126 9.378 -34.034 7.804 1.00 0.00 N ATOM 1877 CA SER A 126 9.876 -35.103 8.661 1.00 0.00 C ATOM 1878 C SER A 126 10.513 -34.532 9.925 1.00 0.00 C ATOM 1879 O SER A 126 11.499 -35.065 10.432 1.00 0.00 O ATOM 1880 CB SER A 126 10.894 -35.959 7.906 1.00 0.00 C ATOM 1881 OG SER A 126 10.257 -37.024 7.223 1.00 0.00 O ATOM 0 H SER A 126 8.393 -34.119 7.554 1.00 0.00 H new ATOM 0 HA SER A 126 9.031 -35.728 8.950 1.00 0.00 H new ATOM 0 HB2 SER A 126 11.438 -35.339 7.193 1.00 0.00 H new ATOM 0 HB3 SER A 126 11.628 -36.359 8.606 1.00 0.00 H new ATOM 0 HG SER A 126 10.929 -37.555 6.747 1.00 0.00 H new ATOM 1887 N GLY A 127 9.940 -33.444 10.430 1.00 0.00 N ATOM 1888 CA GLY A 127 10.463 -32.818 11.630 1.00 0.00 C ATOM 1889 C GLY A 127 9.610 -33.100 12.850 1.00 0.00 C ATOM 1890 O GLY A 127 8.385 -33.172 12.756 1.00 0.00 O ATOM 0 H GLY A 127 9.122 -32.985 10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.477 -33.175 11.809 1.00 0.00 H new ATOM 0 HA3 GLY A 127 10.526 -31.741 11.476 1.00 0.00 H new TER 1894 GLY A 127