USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1087 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: B 85 THR OG1 : rot -90:sc= -0.815 USER MOD Set 1.2: B 117 ASN : amide:sc= -10.3! C(o=-11!,f=-9.6!) USER MOD Set 2.1: B 81 LYS NZ :NH3+ -127:sc= 1.17 (180deg=-0.344) USER MOD Set 2.2: B 113 CYS SG : rot -102:sc= -0.756! USER MOD Set 3.1: A 49 GLN : amide:sc= -9.06! C(o=-10!,f=-15!) USER MOD Set 3.2: A 50 MET CE :methyl -152:sc= -1.02 (180deg=-2.85!) USER MOD Set 4.1: A 11 LYS NZ :NH3+ 163:sc= -0.533 (180deg=-0.169) USER MOD Set 4.2: B 108 GLN : amide:sc= -0.0113 X(o=-0.54,f=-0.75) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.38 (180deg=1.02) USER MOD Single : A 4 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.207) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 80:sc= 1.05 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -30:sc= 0.918 USER MOD Single : A 22 LYS NZ :NH3+ 146:sc= -0.0609 (180deg=-1.08) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= -0.817! (180deg=-1.01!) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= 0.55 (180deg=-3.28!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -2.44! K(o=-2.4!,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.232 K(o=-0.23,f=-4.2!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -29:sc= 1.22 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -123:sc= 0.882 (180deg=-0.0124) USER MOD Single : A 65 SER OG : rot 81:sc= 0.186 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0 USER MOD Single : B 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 99 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.0037) USER MOD Single : B 101 HIS : no HD1:sc= -4.56! C(o=-4.6!,f=-8.3!) USER MOD Single : B 102 LYS NZ :NH3+ -173:sc= -0.728 (180deg=-0.745) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 118 GLN : amide:sc= -5.8! C(o=-5.8!,f=-8.9!) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 125 SER OG : rot 170:sc= 0.288 USER MOD Single : B 127 ASN : amide:sc= -0.222 K(o=-0.22,f=1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.260 5.684 13.553 1.00 0.00 N ATOM 2 CA MET A 1 -11.486 4.251 13.228 1.00 0.00 C ATOM 3 C MET A 1 -10.360 3.706 12.356 1.00 0.00 C ATOM 4 O MET A 1 -9.940 4.358 11.396 1.00 0.00 O ATOM 5 CB MET A 1 -12.828 4.068 12.511 1.00 0.00 C ATOM 6 CG MET A 1 -14.037 4.175 13.430 1.00 0.00 C ATOM 7 SD MET A 1 -14.228 5.819 14.147 1.00 0.00 S ATOM 8 CE MET A 1 -15.696 5.586 15.144 1.00 0.00 C ATOM 0 H1 MET A 1 -12.094 6.064 14.045 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.425 5.773 14.167 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.103 6.219 12.675 1.00 0.00 H new ATOM 0 HA MET A 1 -11.503 3.695 14.165 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.914 4.818 11.725 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.839 3.093 12.024 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.937 3.921 12.870 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.944 3.443 14.232 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.942 6.518 15.652 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.527 5.291 14.504 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.513 4.807 15.884 1.00 0.00 H new ATOM 20 N LEU A 2 -9.881 2.507 12.702 1.00 0.00 N ATOM 21 CA LEU A 2 -8.802 1.854 11.961 1.00 0.00 C ATOM 22 C LEU A 2 -9.315 0.608 11.245 1.00 0.00 C ATOM 23 O LEU A 2 -9.955 -0.251 11.858 1.00 0.00 O ATOM 24 CB LEU A 2 -7.650 1.476 12.903 1.00 0.00 C ATOM 25 CG LEU A 2 -6.895 2.653 13.537 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.565 3.098 14.832 1.00 0.00 C ATOM 27 CD2 LEU A 2 -5.443 2.278 13.790 1.00 0.00 C ATOM 0 H LEU A 2 -10.227 1.968 13.496 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.432 2.559 11.217 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.049 0.851 13.702 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.936 0.867 12.348 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.922 3.489 12.838 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -7.010 3.933 15.260 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.588 3.411 14.623 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.576 2.269 15.539 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.922 3.123 14.240 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.400 1.424 14.466 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.965 2.017 12.846 1.00 0.00 H new ATOM 39 N ILE A 3 -9.024 0.521 9.946 1.00 0.00 N ATOM 40 CA ILE A 3 -9.452 -0.618 9.125 1.00 0.00 C ATOM 41 C ILE A 3 -8.266 -1.257 8.403 1.00 0.00 C ATOM 42 O ILE A 3 -7.310 -0.568 8.037 1.00 0.00 O ATOM 43 CB ILE A 3 -10.553 -0.233 8.092 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.226 1.084 7.356 1.00 0.00 C ATOM 45 CG2 ILE A 3 -11.906 -0.131 8.787 1.00 0.00 C ATOM 46 CD1 ILE A 3 -10.561 1.057 5.878 1.00 0.00 C ATOM 0 H ILE A 3 -8.492 1.227 9.437 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.884 -1.343 9.815 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.589 -1.021 7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.774 1.899 7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.165 1.302 7.475 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.670 0.139 8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.157 -1.091 9.238 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.860 0.633 9.563 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.304 2.016 5.429 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.993 0.264 5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.627 0.871 5.750 1.00 0.00 H new ATOM 58 N LYS A 4 -8.347 -2.575 8.205 1.00 0.00 N ATOM 59 CA LYS A 4 -7.288 -3.328 7.527 1.00 0.00 C ATOM 60 C LYS A 4 -7.734 -3.745 6.130 1.00 0.00 C ATOM 61 O LYS A 4 -8.771 -4.398 5.971 1.00 0.00 O ATOM 62 CB LYS A 4 -6.899 -4.570 8.346 1.00 0.00 C ATOM 63 CG LYS A 4 -6.148 -4.264 9.647 1.00 0.00 C ATOM 64 CD LYS A 4 -7.094 -3.949 10.808 1.00 0.00 C ATOM 65 CE LYS A 4 -7.462 -5.198 11.601 1.00 0.00 C ATOM 66 NZ LYS A 4 -8.339 -4.880 12.762 1.00 0.00 N1+ ATOM 0 H LYS A 4 -9.138 -3.145 8.506 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.417 -2.679 7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.803 -5.129 8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.279 -5.218 7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.524 -5.117 9.912 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.480 -3.418 9.487 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.624 -3.224 11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.001 -3.485 10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.969 -5.907 10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.553 -5.684 11.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.204 -5.595 13.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.093 -3.941 13.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.333 -4.881 12.457 1.00 0.00 H new ATOM 80 N VAL A 5 -6.947 -3.357 5.120 1.00 0.00 N ATOM 81 CA VAL A 5 -7.258 -3.692 3.726 1.00 0.00 C ATOM 82 C VAL A 5 -6.229 -4.695 3.165 1.00 0.00 C ATOM 83 O VAL A 5 -5.077 -4.714 3.600 1.00 0.00 O ATOM 84 CB VAL A 5 -7.369 -2.398 2.845 1.00 0.00 C ATOM 85 CG1 VAL A 5 -6.038 -1.661 2.711 1.00 0.00 C ATOM 86 CG2 VAL A 5 -7.956 -2.705 1.470 1.00 0.00 C ATOM 0 H VAL A 5 -6.093 -2.813 5.241 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.233 -4.178 3.696 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.053 -1.731 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.174 -0.774 2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.686 -1.363 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.303 -2.319 2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.018 -1.786 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.316 -3.420 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.953 -3.129 1.587 1.00 0.00 H new ATOM 96 N LYS A 6 -6.667 -5.516 2.203 1.00 0.00 N ATOM 97 CA LYS A 6 -5.805 -6.530 1.588 1.00 0.00 C ATOM 98 C LYS A 6 -5.442 -6.157 0.150 1.00 0.00 C ATOM 99 O LYS A 6 -6.294 -5.704 -0.617 1.00 0.00 O ATOM 100 CB LYS A 6 -6.503 -7.896 1.617 1.00 0.00 C ATOM 101 CG LYS A 6 -5.549 -9.074 1.766 1.00 0.00 C ATOM 102 CD LYS A 6 -6.300 -10.394 1.821 1.00 0.00 C ATOM 103 CE LYS A 6 -5.348 -11.569 1.981 1.00 0.00 C ATOM 104 NZ LYS A 6 -6.074 -12.867 2.042 1.00 0.00 N1+ ATOM 0 H LYS A 6 -7.617 -5.497 1.833 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.881 -6.582 2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.215 -7.912 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.076 -8.020 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.850 -9.086 0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.958 -8.952 2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.004 -10.379 2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.885 -10.519 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.647 -11.584 1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.760 -11.439 2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.390 -13.643 2.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.725 -12.863 2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.615 -13.004 1.164 1.00 0.00 H new ATOM 118 N THR A 7 -4.163 -6.357 -0.195 1.00 0.00 N ATOM 119 CA THR A 7 -3.651 -6.061 -1.535 1.00 0.00 C ATOM 120 C THR A 7 -3.549 -7.339 -2.374 1.00 0.00 C ATOM 121 O THR A 7 -3.552 -8.450 -1.831 1.00 0.00 O ATOM 122 CB THR A 7 -2.258 -5.386 -1.474 1.00 0.00 C ATOM 123 OG1 THR A 7 -2.031 -4.810 -0.182 1.00 0.00 O ATOM 124 CG2 THR A 7 -2.141 -4.300 -2.531 1.00 0.00 C ATOM 0 H THR A 7 -3.460 -6.726 0.445 1.00 0.00 H new ATOM 0 HA THR A 7 -4.357 -5.373 -2.001 1.00 0.00 H new ATOM 0 HB THR A 7 -1.509 -6.155 -1.663 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.759 -5.512 0.446 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.155 -3.839 -2.471 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.277 -4.738 -3.520 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.907 -3.543 -2.361 1.00 0.00 H new ATOM 132 N LEU A 8 -3.432 -7.167 -3.701 1.00 0.00 N ATOM 133 CA LEU A 8 -3.327 -8.294 -4.645 1.00 0.00 C ATOM 134 C LEU A 8 -1.977 -9.026 -4.531 1.00 0.00 C ATOM 135 O LEU A 8 -1.811 -10.116 -5.088 1.00 0.00 O ATOM 136 CB LEU A 8 -3.532 -7.793 -6.084 1.00 0.00 C ATOM 137 CG LEU A 8 -4.006 -8.848 -7.094 1.00 0.00 C ATOM 138 CD1 LEU A 8 -5.527 -8.911 -7.140 1.00 0.00 C ATOM 139 CD2 LEU A 8 -3.441 -8.554 -8.475 1.00 0.00 C ATOM 0 H LEU A 8 -3.408 -6.250 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.108 -9.009 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.259 -6.981 -6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.592 -7.372 -6.440 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.637 -9.821 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.838 -9.665 -7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.910 -9.173 -6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.923 -7.940 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.787 -9.311 -9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.779 -7.571 -8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.352 -8.568 -8.433 1.00 0.00 H new ATOM 151 N THR A 9 -1.025 -8.420 -3.804 1.00 0.00 N ATOM 152 CA THR A 9 0.305 -9.010 -3.603 1.00 0.00 C ATOM 153 C THR A 9 0.314 -9.960 -2.392 1.00 0.00 C ATOM 154 O THR A 9 1.259 -10.736 -2.217 1.00 0.00 O ATOM 155 CB THR A 9 1.396 -7.921 -3.412 1.00 0.00 C ATOM 156 OG1 THR A 9 0.997 -6.698 -4.046 1.00 0.00 O ATOM 157 CG2 THR A 9 2.731 -8.371 -3.997 1.00 0.00 C ATOM 0 H THR A 9 -1.154 -7.518 -3.345 1.00 0.00 H new ATOM 0 HA THR A 9 0.535 -9.577 -4.505 1.00 0.00 H new ATOM 0 HB THR A 9 1.515 -7.759 -2.341 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.693 -6.020 -3.916 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.475 -7.589 -3.849 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.058 -9.283 -3.497 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.615 -8.563 -5.064 1.00 0.00 H new ATOM 165 N GLY A 10 -0.745 -9.888 -1.567 1.00 0.00 N ATOM 166 CA GLY A 10 -0.857 -10.748 -0.393 1.00 0.00 C ATOM 167 C GLY A 10 -0.374 -10.086 0.887 1.00 0.00 C ATOM 168 O GLY A 10 0.272 -10.736 1.715 1.00 0.00 O ATOM 0 H GLY A 10 -1.527 -9.245 -1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.898 -11.047 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.282 -11.658 -0.562 1.00 0.00 H new ATOM 172 N LYS A 11 -0.688 -8.794 1.045 1.00 0.00 N ATOM 173 CA LYS A 11 -0.292 -8.027 2.226 1.00 0.00 C ATOM 174 C LYS A 11 -1.430 -7.129 2.698 1.00 0.00 C ATOM 175 O LYS A 11 -2.085 -6.472 1.886 1.00 0.00 O ATOM 176 CB LYS A 11 0.939 -7.179 1.911 1.00 0.00 C ATOM 177 CG LYS A 11 2.237 -7.786 2.424 1.00 0.00 C ATOM 178 CD LYS A 11 3.414 -7.439 1.527 1.00 0.00 C ATOM 179 CE LYS A 11 4.668 -8.192 1.941 1.00 0.00 C ATOM 180 NZ LYS A 11 5.836 -7.838 1.087 1.00 0.00 N1+ ATOM 0 H LYS A 11 -1.220 -8.256 0.361 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.052 -8.730 3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.011 -7.043 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.811 -6.189 2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.432 -7.427 3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.133 -8.869 2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.168 -7.679 0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.602 -6.366 1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.899 -7.968 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.485 -9.265 1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.714 -8.133 1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.756 -8.323 0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.855 -6.810 0.933 1.00 0.00 H new ATOM 194 N GLU A 12 -1.659 -7.114 4.016 1.00 0.00 N ATOM 195 CA GLU A 12 -2.714 -6.286 4.612 1.00 0.00 C ATOM 196 C GLU A 12 -2.157 -4.926 5.055 1.00 0.00 C ATOM 197 O GLU A 12 -1.334 -4.856 5.972 1.00 0.00 O ATOM 198 CB GLU A 12 -3.414 -7.017 5.786 1.00 0.00 C ATOM 199 CG GLU A 12 -2.482 -7.572 6.866 1.00 0.00 C ATOM 200 CD GLU A 12 -3.237 -8.252 7.993 1.00 0.00 C ATOM 201 OE1 GLU A 12 -3.591 -7.562 8.971 1.00 0.00 O1- ATOM 202 OE2 GLU A 12 -3.475 -9.474 7.895 1.00 0.00 O ATOM 0 H GLU A 12 -1.128 -7.666 4.690 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.468 -6.107 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.115 -6.326 6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.002 -7.840 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.791 -8.284 6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.880 -6.760 7.274 1.00 0.00 H new ATOM 209 N ILE A 13 -2.654 -3.852 4.416 1.00 0.00 N ATOM 210 CA ILE A 13 -2.223 -2.473 4.707 1.00 0.00 C ATOM 211 C ILE A 13 -3.084 -1.913 5.856 1.00 0.00 C ATOM 212 O ILE A 13 -4.273 -2.249 5.965 1.00 0.00 O ATOM 213 CB ILE A 13 -2.415 -1.544 3.468 1.00 0.00 C ATOM 214 CG1 ILE A 13 -1.706 -2.124 2.232 1.00 0.00 C ATOM 215 CG2 ILE A 13 -1.921 -0.120 3.748 1.00 0.00 C ATOM 216 CD1 ILE A 13 -2.505 -1.968 0.952 1.00 0.00 C ATOM 0 H ILE A 13 -3.363 -3.915 3.686 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.166 -2.498 4.974 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.484 -1.493 3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.741 -1.632 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.506 -3.182 2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.071 0.498 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.480 0.301 4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.860 -0.145 3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.947 -2.398 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.460 -2.484 1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.683 -0.910 0.761 1.00 0.00 H new ATOM 228 N GLU A 14 -2.481 -1.062 6.689 1.00 0.00 N ATOM 229 CA GLU A 14 -3.183 -0.451 7.817 1.00 0.00 C ATOM 230 C GLU A 14 -3.489 1.023 7.539 1.00 0.00 C ATOM 231 O GLU A 14 -2.574 1.826 7.329 1.00 0.00 O ATOM 232 CB GLU A 14 -2.349 -0.592 9.095 1.00 0.00 C ATOM 233 CG GLU A 14 -2.442 -1.969 9.737 1.00 0.00 C ATOM 234 CD GLU A 14 -1.605 -2.084 10.995 1.00 0.00 C ATOM 235 OE1 GLU A 14 -0.416 -2.452 10.886 1.00 0.00 O1- ATOM 236 OE2 GLU A 14 -2.138 -1.807 12.090 1.00 0.00 O ATOM 0 H GLU A 14 -1.505 -0.780 6.602 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.131 -0.972 7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.306 -0.379 8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.675 0.158 9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.483 -2.184 9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.118 -2.723 9.019 1.00 0.00 H new ATOM 243 N ILE A 15 -4.786 1.364 7.531 1.00 0.00 N ATOM 244 CA ILE A 15 -5.230 2.745 7.283 1.00 0.00 C ATOM 245 C ILE A 15 -6.320 3.178 8.251 1.00 0.00 C ATOM 246 O ILE A 15 -6.963 2.343 8.895 1.00 0.00 O ATOM 247 CB ILE A 15 -5.757 2.989 5.840 1.00 0.00 C ATOM 248 CG1 ILE A 15 -6.279 1.704 5.168 1.00 0.00 C ATOM 249 CG2 ILE A 15 -4.673 3.642 5.008 1.00 0.00 C ATOM 250 CD1 ILE A 15 -7.400 1.948 4.173 1.00 0.00 C ATOM 0 H ILE A 15 -5.546 0.703 7.693 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.328 3.339 7.430 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.614 3.659 5.909 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.452 1.210 4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.632 1.019 5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.043 3.813 3.997 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.394 4.595 5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.801 2.989 4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.716 0.999 3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.244 2.413 4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.046 2.608 3.381 1.00 0.00 H new ATOM 262 N ASP A 16 -6.516 4.500 8.339 1.00 0.00 N ATOM 263 CA ASP A 16 -7.534 5.075 9.207 1.00 0.00 C ATOM 264 C ASP A 16 -8.404 6.081 8.446 1.00 0.00 C ATOM 265 O ASP A 16 -7.899 7.071 7.909 1.00 0.00 O ATOM 266 CB ASP A 16 -6.901 5.724 10.455 1.00 0.00 C ATOM 267 CG ASP A 16 -5.808 6.739 10.137 1.00 0.00 C ATOM 268 OD1 ASP A 16 -6.138 7.933 9.970 1.00 0.00 O1- ATOM 269 OD2 ASP A 16 -4.629 6.337 10.055 1.00 0.00 O ATOM 0 H ASP A 16 -5.977 5.189 7.814 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.178 4.263 9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.683 6.216 11.033 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.483 4.941 11.087 1.00 0.00 H new ATOM 274 N ILE A 17 -9.715 5.806 8.406 1.00 0.00 N ATOM 275 CA ILE A 17 -10.682 6.671 7.713 1.00 0.00 C ATOM 276 C ILE A 17 -12.020 6.730 8.463 1.00 0.00 C ATOM 277 O ILE A 17 -12.289 5.894 9.331 1.00 0.00 O ATOM 278 CB ILE A 17 -10.920 6.227 6.233 1.00 0.00 C ATOM 279 CG1 ILE A 17 -11.116 4.701 6.097 1.00 0.00 C ATOM 280 CG2 ILE A 17 -9.764 6.685 5.355 1.00 0.00 C ATOM 281 CD1 ILE A 17 -12.563 4.260 6.184 1.00 0.00 C ATOM 0 H ILE A 17 -10.133 4.987 8.848 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.243 7.669 7.697 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.844 6.701 5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.703 4.375 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.546 4.200 6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.941 6.370 4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.686 7.772 5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.836 6.242 5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.620 3.176 6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.976 4.554 7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.136 4.732 5.386 1.00 0.00 H new ATOM 293 N GLU A 18 -12.849 7.725 8.115 1.00 0.00 N ATOM 294 CA GLU A 18 -14.161 7.908 8.746 1.00 0.00 C ATOM 295 C GLU A 18 -15.277 7.265 7.899 1.00 0.00 C ATOM 296 O GLU A 18 -15.099 7.097 6.689 1.00 0.00 O ATOM 297 CB GLU A 18 -14.452 9.399 8.952 1.00 0.00 C ATOM 298 CG GLU A 18 -13.653 10.034 10.081 1.00 0.00 C ATOM 299 CD GLU A 18 -13.973 11.504 10.266 1.00 0.00 C ATOM 300 OE1 GLU A 18 -14.911 11.815 11.031 1.00 0.00 O ATOM 301 OE2 GLU A 18 -13.285 12.344 9.647 1.00 0.00 O1- ATOM 0 H GLU A 18 -12.632 8.417 7.397 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.138 7.413 9.717 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.239 9.932 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.515 9.527 9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.857 9.502 11.010 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.588 9.921 9.876 1.00 0.00 H new ATOM 308 N PRO A 19 -16.457 6.902 8.507 1.00 0.00 N ATOM 309 CA PRO A 19 -17.576 6.271 7.769 1.00 0.00 C ATOM 310 C PRO A 19 -18.304 7.226 6.813 1.00 0.00 C ATOM 311 O PRO A 19 -18.972 6.777 5.877 1.00 0.00 O ATOM 312 CB PRO A 19 -18.543 5.811 8.876 1.00 0.00 C ATOM 313 CG PRO A 19 -17.792 5.951 10.156 1.00 0.00 C ATOM 314 CD PRO A 19 -16.806 7.057 9.938 1.00 0.00 C ATOM 0 HA PRO A 19 -17.204 5.468 7.132 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -19.446 6.421 8.884 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.856 4.779 8.717 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.466 6.186 10.980 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.285 5.021 10.414 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -17.241 8.035 10.145 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.932 6.954 10.582 1.00 0.00 H new ATOM 322 N THR A 20 -18.167 8.537 7.058 1.00 0.00 N ATOM 323 CA THR A 20 -18.818 9.565 6.229 1.00 0.00 C ATOM 324 C THR A 20 -17.951 9.982 5.020 1.00 0.00 C ATOM 325 O THR A 20 -18.341 10.865 4.249 1.00 0.00 O ATOM 326 CB THR A 20 -19.218 10.814 7.080 1.00 0.00 C ATOM 327 OG1 THR A 20 -19.862 11.795 6.257 1.00 0.00 O ATOM 328 CG2 THR A 20 -18.020 11.455 7.791 1.00 0.00 C ATOM 0 H THR A 20 -17.610 8.913 7.825 1.00 0.00 H new ATOM 0 HA THR A 20 -19.728 9.114 5.833 1.00 0.00 H new ATOM 0 HB THR A 20 -19.906 10.459 7.847 1.00 0.00 H new ATOM 0 HG1 THR A 20 -19.510 11.739 5.344 1.00 0.00 H new ATOM 0 HG21 THR A 20 -18.357 12.317 8.366 1.00 0.00 H new ATOM 0 HG22 THR A 20 -17.563 10.727 8.462 1.00 0.00 H new ATOM 0 HG23 THR A 20 -17.287 11.777 7.051 1.00 0.00 H new ATOM 336 N ASP A 21 -16.786 9.337 4.862 1.00 0.00 N ATOM 337 CA ASP A 21 -15.875 9.632 3.752 1.00 0.00 C ATOM 338 C ASP A 21 -16.205 8.782 2.525 1.00 0.00 C ATOM 339 O ASP A 21 -16.748 7.680 2.652 1.00 0.00 O ATOM 340 CB ASP A 21 -14.423 9.396 4.177 1.00 0.00 C ATOM 341 CG ASP A 21 -13.888 10.518 5.046 1.00 0.00 C ATOM 342 OD1 ASP A 21 -14.381 10.676 6.181 1.00 0.00 O1- ATOM 343 OD2 ASP A 21 -12.979 11.241 4.587 1.00 0.00 O ATOM 0 H ASP A 21 -16.454 8.606 5.492 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.003 10.681 3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.355 8.454 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.798 9.298 3.289 1.00 0.00 H new ATOM 348 N LYS A 22 -15.869 9.310 1.340 1.00 0.00 N ATOM 349 CA LYS A 22 -16.120 8.622 0.066 1.00 0.00 C ATOM 350 C LYS A 22 -15.041 7.581 -0.219 1.00 0.00 C ATOM 351 O LYS A 22 -13.893 7.736 0.211 1.00 0.00 O ATOM 352 CB LYS A 22 -16.181 9.634 -1.088 1.00 0.00 C ATOM 353 CG LYS A 22 -17.424 10.522 -1.081 1.00 0.00 C ATOM 354 CD LYS A 22 -18.560 9.911 -1.894 1.00 0.00 C ATOM 355 CE LYS A 22 -19.779 10.823 -1.935 1.00 0.00 C ATOM 356 NZ LYS A 22 -20.504 10.859 -0.633 1.00 0.00 N1+ ATOM 0 H LYS A 22 -15.419 10.219 1.237 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.080 8.112 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.296 10.268 -1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.141 9.092 -2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.754 10.677 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.173 11.502 -1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.217 9.717 -2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.839 8.950 -1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.466 11.832 -2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.458 10.483 -2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.903 11.808 -0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -21.272 10.158 -0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.843 10.637 0.139 1.00 0.00 H new ATOM 370 N VAL A 23 -15.421 6.523 -0.957 1.00 0.00 N ATOM 371 CA VAL A 23 -14.496 5.427 -1.315 1.00 0.00 C ATOM 372 C VAL A 23 -13.255 5.957 -2.056 1.00 0.00 C ATOM 373 O VAL A 23 -12.139 5.509 -1.788 1.00 0.00 O ATOM 374 CB VAL A 23 -15.182 4.325 -2.181 1.00 0.00 C ATOM 375 CG1 VAL A 23 -14.320 3.066 -2.246 1.00 0.00 C ATOM 376 CG2 VAL A 23 -16.565 3.969 -1.642 1.00 0.00 C ATOM 0 H VAL A 23 -16.367 6.401 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 23 -14.188 4.976 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.296 4.733 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.820 2.313 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.354 3.309 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.169 2.676 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -17.013 3.199 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.473 3.597 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -17.198 4.856 -1.649 1.00 0.00 H new ATOM 386 N GLU A 24 -13.462 6.922 -2.972 1.00 0.00 N ATOM 387 CA GLU A 24 -12.360 7.530 -3.748 1.00 0.00 C ATOM 388 C GLU A 24 -11.298 8.178 -2.837 1.00 0.00 C ATOM 389 O GLU A 24 -10.111 8.213 -3.184 1.00 0.00 O ATOM 390 CB GLU A 24 -12.897 8.556 -4.771 1.00 0.00 C ATOM 391 CG GLU A 24 -13.843 9.615 -4.202 1.00 0.00 C ATOM 392 CD GLU A 24 -14.283 10.624 -5.244 1.00 0.00 C ATOM 393 OE1 GLU A 24 -15.314 10.381 -5.907 1.00 0.00 O ATOM 394 OE2 GLU A 24 -13.598 11.657 -5.397 1.00 0.00 O1- ATOM 0 H GLU A 24 -14.383 7.299 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.874 6.721 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.049 9.061 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.417 8.017 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.722 9.124 -3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.348 10.137 -3.383 1.00 0.00 H new ATOM 401 N ARG A 25 -11.738 8.666 -1.664 1.00 0.00 N ATOM 402 CA ARG A 25 -10.840 9.300 -0.687 1.00 0.00 C ATOM 403 C ARG A 25 -9.999 8.245 0.037 1.00 0.00 C ATOM 404 O ARG A 25 -8.800 8.444 0.272 1.00 0.00 O ATOM 405 CB ARG A 25 -11.637 10.133 0.330 1.00 0.00 C ATOM 406 CG ARG A 25 -12.233 11.418 -0.242 1.00 0.00 C ATOM 407 CD ARG A 25 -11.248 12.578 -0.176 1.00 0.00 C ATOM 408 NE ARG A 25 -11.820 13.815 -0.721 1.00 0.00 N ATOM 409 CZ ARG A 25 -11.233 15.018 -0.662 1.00 0.00 C ATOM 410 NH1 ARG A 25 -10.045 15.178 -0.081 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 -11.843 16.071 -1.189 1.00 0.00 N ATOM 0 H ARG A 25 -12.714 8.632 -1.370 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.171 9.968 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.443 9.520 0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.984 10.389 1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -12.529 11.251 -1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -13.136 11.677 0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.949 12.742 0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.346 12.320 -0.731 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.730 13.754 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.566 14.376 0.329 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.615 16.102 -0.046 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -12.753 15.962 -1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.402 16.990 -1.148 1.00 0.00 H new ATOM 425 N ILE A 26 -10.640 7.112 0.370 1.00 0.00 N ATOM 426 CA ILE A 26 -9.966 5.986 1.036 1.00 0.00 C ATOM 427 C ILE A 26 -8.879 5.425 0.101 1.00 0.00 C ATOM 428 O ILE A 26 -7.802 5.021 0.553 1.00 0.00 O ATOM 429 CB ILE A 26 -10.978 4.864 1.439 1.00 0.00 C ATOM 430 CG1 ILE A 26 -12.108 5.445 2.317 1.00 0.00 C ATOM 431 CG2 ILE A 26 -10.270 3.722 2.183 1.00 0.00 C ATOM 432 CD1 ILE A 26 -13.438 4.714 2.208 1.00 0.00 C ATOM 0 H ILE A 26 -11.631 6.952 0.187 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.508 6.349 1.956 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.411 4.461 0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.785 5.430 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.260 6.490 2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.998 2.956 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.506 3.287 1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.803 4.111 3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.170 5.192 2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.790 4.751 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.308 3.675 2.510 1.00 0.00 H new ATOM 444 N LYS A 27 -9.176 5.447 -1.211 1.00 0.00 N ATOM 445 CA LYS A 27 -8.247 4.976 -2.251 1.00 0.00 C ATOM 446 C LYS A 27 -7.068 5.942 -2.375 1.00 0.00 C ATOM 447 O LYS A 27 -5.936 5.521 -2.630 1.00 0.00 O ATOM 448 CB LYS A 27 -8.956 4.838 -3.605 1.00 0.00 C ATOM 449 CG LYS A 27 -10.234 4.021 -3.548 1.00 0.00 C ATOM 450 CD LYS A 27 -10.691 3.578 -4.926 1.00 0.00 C ATOM 451 CE LYS A 27 -11.712 2.465 -4.819 1.00 0.00 C ATOM 452 NZ LYS A 27 -12.167 1.991 -6.156 1.00 0.00 N1+ ATOM 0 H LYS A 27 -10.064 5.791 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.879 3.993 -1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.189 5.833 -3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.272 4.376 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.075 3.144 -2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.021 4.612 -3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.123 4.424 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.834 3.237 -5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.281 1.630 -4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.571 2.816 -4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.813 1.185 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.662 2.762 -6.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.344 1.695 -6.718 1.00 0.00 H new ATOM 466 N GLU A 28 -7.356 7.246 -2.190 1.00 0.00 N ATOM 467 CA GLU A 28 -6.325 8.297 -2.219 1.00 0.00 C ATOM 468 C GLU A 28 -5.295 8.051 -1.111 1.00 0.00 C ATOM 469 O GLU A 28 -4.093 8.268 -1.306 1.00 0.00 O ATOM 470 CB GLU A 28 -6.957 9.684 -2.052 1.00 0.00 C ATOM 471 CG GLU A 28 -7.720 10.165 -3.278 1.00 0.00 C ATOM 472 CD GLU A 28 -8.336 11.537 -3.080 1.00 0.00 C ATOM 473 OE1 GLU A 28 -9.489 11.607 -2.605 1.00 0.00 O1- ATOM 474 OE2 GLU A 28 -7.666 12.541 -3.403 1.00 0.00 O ATOM 0 H GLU A 28 -8.299 7.595 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.825 8.263 -3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.635 9.663 -1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.173 10.404 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.045 10.194 -4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.506 9.449 -3.516 1.00 0.00 H new ATOM 481 N ARG A 29 -5.788 7.578 0.053 1.00 0.00 N ATOM 482 CA ARG A 29 -4.932 7.238 1.205 1.00 0.00 C ATOM 483 C ARG A 29 -4.026 6.053 0.847 1.00 0.00 C ATOM 484 O ARG A 29 -2.817 6.064 1.124 1.00 0.00 O ATOM 485 CB ARG A 29 -5.785 6.878 2.435 1.00 0.00 C ATOM 486 CG ARG A 29 -6.562 8.049 3.034 1.00 0.00 C ATOM 487 CD ARG A 29 -5.766 8.790 4.106 1.00 0.00 C ATOM 488 NE ARG A 29 -4.605 9.505 3.558 1.00 0.00 N ATOM 489 CZ ARG A 29 -3.647 10.083 4.299 1.00 0.00 C ATOM 490 NH1 ARG A 29 -3.689 10.043 5.630 1.00 0.00 N1+ ATOM 491 NH2 ARG A 29 -2.640 10.702 3.701 1.00 0.00 N ATOM 0 H ARG A 29 -6.782 7.423 0.218 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.322 8.108 1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.491 6.096 2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.134 6.460 3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.833 8.745 2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.492 7.681 3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.420 9.501 4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.427 8.078 4.858 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.521 9.566 2.543 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.458 9.567 6.102 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.952 10.488 6.177 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.596 10.737 2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.909 11.143 4.259 1.00 0.00 H new ATOM 505 N VAL A 30 -4.632 5.039 0.198 1.00 0.00 N ATOM 506 CA VAL A 30 -3.915 3.834 -0.243 1.00 0.00 C ATOM 507 C VAL A 30 -2.807 4.219 -1.243 1.00 0.00 C ATOM 508 O VAL A 30 -1.666 3.771 -1.113 1.00 0.00 O ATOM 509 CB VAL A 30 -4.880 2.785 -0.887 1.00 0.00 C ATOM 510 CG1 VAL A 30 -4.207 1.426 -1.038 1.00 0.00 C ATOM 511 CG2 VAL A 30 -6.160 2.626 -0.073 1.00 0.00 C ATOM 0 H VAL A 30 -5.626 5.035 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.468 3.372 0.637 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.136 3.165 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.906 0.722 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.329 1.524 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.904 1.059 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.806 1.889 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.911 2.292 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.679 3.583 -0.020 1.00 0.00 H new ATOM 521 N GLU A 31 -3.162 5.086 -2.211 1.00 0.00 N ATOM 522 CA GLU A 31 -2.223 5.576 -3.239 1.00 0.00 C ATOM 523 C GLU A 31 -1.003 6.263 -2.600 1.00 0.00 C ATOM 524 O GLU A 31 0.125 6.105 -3.068 1.00 0.00 O ATOM 525 CB GLU A 31 -2.951 6.559 -4.178 1.00 0.00 C ATOM 526 CG GLU A 31 -2.100 7.075 -5.338 1.00 0.00 C ATOM 527 CD GLU A 31 -2.741 8.227 -6.098 1.00 0.00 C ATOM 528 OE1 GLU A 31 -3.188 9.200 -5.449 1.00 0.00 O1- ATOM 529 OE2 GLU A 31 -2.783 8.161 -7.343 1.00 0.00 O ATOM 0 H GLU A 31 -4.104 5.465 -2.302 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.864 4.720 -3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.835 6.067 -4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.300 7.410 -3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.133 7.398 -4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.909 6.255 -6.031 1.00 0.00 H new ATOM 536 N GLU A 32 -1.258 7.021 -1.531 1.00 0.00 N ATOM 537 CA GLU A 32 -0.208 7.750 -0.797 1.00 0.00 C ATOM 538 C GLU A 32 0.781 6.810 -0.098 1.00 0.00 C ATOM 539 O GLU A 32 1.945 7.169 0.101 1.00 0.00 O ATOM 540 CB GLU A 32 -0.836 8.689 0.235 1.00 0.00 C ATOM 541 CG GLU A 32 -1.619 9.833 -0.387 1.00 0.00 C ATOM 542 CD GLU A 32 -1.852 10.981 0.576 1.00 0.00 C ATOM 543 OE1 GLU A 32 -0.878 11.692 0.901 1.00 0.00 O1- ATOM 544 OE2 GLU A 32 -3.011 11.170 1.003 1.00 0.00 O ATOM 0 H GLU A 32 -2.194 7.150 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 32 0.349 8.327 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.499 8.114 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.049 9.099 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.082 10.202 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.581 9.459 -0.739 1.00 0.00 H new ATOM 551 N LYS A 33 0.309 5.609 0.265 1.00 0.00 N ATOM 552 CA LYS A 33 1.154 4.618 0.952 1.00 0.00 C ATOM 553 C LYS A 33 1.979 3.751 -0.016 1.00 0.00 C ATOM 554 O LYS A 33 3.196 3.627 0.155 1.00 0.00 O ATOM 555 CB LYS A 33 0.304 3.712 1.843 1.00 0.00 C ATOM 556 CG LYS A 33 0.484 3.952 3.334 1.00 0.00 C ATOM 557 CD LYS A 33 -0.035 2.764 4.124 1.00 0.00 C ATOM 558 CE LYS A 33 -0.310 3.109 5.578 1.00 0.00 C ATOM 559 NZ LYS A 33 -1.561 3.905 5.738 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.648 5.300 0.096 1.00 0.00 H new ATOM 0 HA LYS A 33 1.857 5.189 1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.746 3.854 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.548 2.673 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.538 4.115 3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.048 4.856 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.951 2.396 3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.693 1.954 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.388 2.191 6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.532 3.672 5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.338 4.815 6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.985 4.077 4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.233 3.379 6.332 1.00 0.00 H new ATOM 573 N GLU A 34 1.319 3.156 -1.023 1.00 0.00 N ATOM 574 CA GLU A 34 1.998 2.270 -1.984 1.00 0.00 C ATOM 575 C GLU A 34 2.446 2.991 -3.258 1.00 0.00 C ATOM 576 O GLU A 34 3.468 2.625 -3.846 1.00 0.00 O ATOM 577 CB GLU A 34 1.089 1.097 -2.353 1.00 0.00 C ATOM 578 CG GLU A 34 1.482 -0.208 -1.677 1.00 0.00 C ATOM 579 CD GLU A 34 0.550 -1.350 -2.029 1.00 0.00 C ATOM 580 OE1 GLU A 34 0.808 -2.039 -3.039 1.00 0.00 O ATOM 581 OE2 GLU A 34 -0.440 -1.556 -1.295 1.00 0.00 O1- ATOM 0 H GLU A 34 0.320 3.271 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 34 2.899 1.909 -1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.062 1.343 -2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.109 0.958 -3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.499 -0.471 -1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.485 -0.066 -0.596 1.00 0.00 H new ATOM 588 N GLY A 35 1.675 3.992 -3.694 1.00 0.00 N ATOM 589 CA GLY A 35 2.017 4.737 -4.902 1.00 0.00 C ATOM 590 C GLY A 35 1.372 4.169 -6.158 1.00 0.00 C ATOM 591 O GLY A 35 1.975 4.200 -7.234 1.00 0.00 O ATOM 0 H GLY A 35 0.819 4.300 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.709 5.775 -4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.100 4.739 -5.026 1.00 0.00 H new ATOM 595 N ILE A 36 0.145 3.651 -6.015 1.00 0.00 N ATOM 596 CA ILE A 36 -0.595 3.070 -7.140 1.00 0.00 C ATOM 597 C ILE A 36 -1.857 3.912 -7.418 1.00 0.00 C ATOM 598 O ILE A 36 -2.559 4.279 -6.472 1.00 0.00 O ATOM 599 CB ILE A 36 -1.003 1.582 -6.874 1.00 0.00 C ATOM 600 CG1 ILE A 36 0.186 0.776 -6.320 1.00 0.00 C ATOM 601 CG2 ILE A 36 -1.534 0.915 -8.151 1.00 0.00 C ATOM 602 CD1 ILE A 36 -0.220 -0.433 -5.498 1.00 0.00 C ATOM 0 H ILE A 36 -0.357 3.623 -5.127 1.00 0.00 H new ATOM 0 HA ILE A 36 0.064 3.080 -8.008 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.800 1.591 -6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.807 0.445 -7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.801 1.432 -5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.809 -0.117 -7.935 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.410 1.457 -8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.760 0.931 -8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.673 -0.948 -5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.815 -0.109 -4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.809 -1.111 -6.115 1.00 0.00 H new ATOM 614 N PRO A 37 -2.174 4.230 -8.717 1.00 0.00 N ATOM 615 CA PRO A 37 -3.366 5.034 -9.086 1.00 0.00 C ATOM 616 C PRO A 37 -4.697 4.440 -8.564 1.00 0.00 C ATOM 617 O PRO A 37 -4.924 3.236 -8.716 1.00 0.00 O ATOM 618 CB PRO A 37 -3.353 5.017 -10.626 1.00 0.00 C ATOM 619 CG PRO A 37 -2.448 3.893 -10.995 1.00 0.00 C ATOM 620 CD PRO A 37 -1.403 3.861 -9.930 1.00 0.00 C ATOM 0 HA PRO A 37 -3.315 6.030 -8.646 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.355 4.864 -11.027 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.990 5.963 -11.027 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.992 2.949 -11.041 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.003 4.053 -11.977 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.947 2.875 -9.837 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.597 4.567 -10.130 1.00 0.00 H new ATOM 628 N PRO A 38 -5.595 5.270 -7.932 1.00 0.00 N ATOM 629 CA PRO A 38 -6.902 4.793 -7.410 1.00 0.00 C ATOM 630 C PRO A 38 -7.771 4.096 -8.465 1.00 0.00 C ATOM 631 O PRO A 38 -8.543 3.190 -8.138 1.00 0.00 O ATOM 632 CB PRO A 38 -7.595 6.077 -6.940 1.00 0.00 C ATOM 633 CG PRO A 38 -6.492 7.030 -6.658 1.00 0.00 C ATOM 634 CD PRO A 38 -5.407 6.716 -7.649 1.00 0.00 C ATOM 0 HA PRO A 38 -6.754 4.044 -6.632 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.266 6.466 -7.706 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.198 5.897 -6.050 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.831 8.061 -6.764 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.131 6.917 -5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.505 7.317 -8.553 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.418 6.918 -7.237 1.00 0.00 H new ATOM 642 N GLN A 39 -7.621 4.516 -9.733 1.00 0.00 N ATOM 643 CA GLN A 39 -8.388 3.951 -10.862 1.00 0.00 C ATOM 644 C GLN A 39 -8.152 2.443 -11.025 1.00 0.00 C ATOM 645 O GLN A 39 -9.037 1.718 -11.486 1.00 0.00 O ATOM 646 CB GLN A 39 -8.027 4.671 -12.165 1.00 0.00 C ATOM 647 CG GLN A 39 -8.580 6.086 -12.262 1.00 0.00 C ATOM 648 CD GLN A 39 -8.215 6.766 -13.566 1.00 0.00 C ATOM 649 OE1 GLN A 39 -8.948 6.676 -14.552 1.00 0.00 O ATOM 650 NE2 GLN A 39 -7.077 7.449 -13.580 1.00 0.00 N ATOM 0 H GLN A 39 -6.969 5.252 -10.005 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.444 4.102 -10.638 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.942 4.708 -12.259 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.400 4.087 -13.007 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.665 6.056 -12.164 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.201 6.678 -11.429 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.501 7.497 -12.740 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.779 7.926 -14.431 1.00 0.00 H new ATOM 659 N GLN A 40 -6.952 1.988 -10.642 1.00 0.00 N ATOM 660 CA GLN A 40 -6.586 0.571 -10.727 1.00 0.00 C ATOM 661 C GLN A 40 -6.855 -0.158 -9.402 1.00 0.00 C ATOM 662 O GLN A 40 -6.710 -1.384 -9.323 1.00 0.00 O ATOM 663 CB GLN A 40 -5.109 0.422 -11.116 1.00 0.00 C ATOM 664 CG GLN A 40 -4.820 0.765 -12.571 1.00 0.00 C ATOM 665 CD GLN A 40 -3.431 0.338 -13.006 1.00 0.00 C ATOM 666 OE1 GLN A 40 -3.230 -0.786 -13.464 1.00 0.00 O ATOM 667 NE2 GLN A 40 -2.465 1.239 -12.872 1.00 0.00 N ATOM 0 H GLN A 40 -6.215 2.586 -10.268 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.207 0.115 -11.498 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.507 1.065 -10.474 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.794 -0.604 -10.925 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -5.561 0.282 -13.208 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.928 1.840 -12.715 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.676 2.160 -12.487 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.512 1.010 -13.154 1.00 0.00 H new ATOM 676 N GLN A 41 -7.261 0.601 -8.373 1.00 0.00 N ATOM 677 CA GLN A 41 -7.547 0.038 -7.051 1.00 0.00 C ATOM 678 C GLN A 41 -9.036 0.103 -6.736 1.00 0.00 C ATOM 679 O GLN A 41 -9.680 1.130 -6.965 1.00 0.00 O ATOM 680 CB GLN A 41 -6.767 0.786 -5.964 1.00 0.00 C ATOM 681 CG GLN A 41 -5.267 0.533 -5.983 1.00 0.00 C ATOM 682 CD GLN A 41 -4.592 0.963 -4.697 1.00 0.00 C ATOM 683 OE1 GLN A 41 -4.403 0.158 -3.787 1.00 0.00 O ATOM 684 NE2 GLN A 41 -4.235 2.240 -4.611 1.00 0.00 N ATOM 0 H GLN A 41 -7.398 1.610 -8.435 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.235 -1.006 -7.067 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.945 1.856 -6.077 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.160 0.499 -4.989 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.082 -0.528 -6.150 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.821 1.069 -6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.412 2.873 -5.391 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.784 2.588 -3.765 1.00 0.00 H new ATOM 693 N ARG A 42 -9.572 -1.004 -6.210 1.00 0.00 N ATOM 694 CA ARG A 42 -10.986 -1.088 -5.838 1.00 0.00 C ATOM 695 C ARG A 42 -11.148 -1.711 -4.458 1.00 0.00 C ATOM 696 O ARG A 42 -10.540 -2.741 -4.160 1.00 0.00 O ATOM 697 CB ARG A 42 -11.774 -1.896 -6.870 1.00 0.00 C ATOM 698 CG ARG A 42 -12.169 -1.094 -8.099 1.00 0.00 C ATOM 699 CD ARG A 42 -13.264 -1.794 -8.882 1.00 0.00 C ATOM 700 NE ARG A 42 -13.629 -1.057 -10.097 1.00 0.00 N ATOM 701 CZ ARG A 42 -14.520 -1.478 -11.006 1.00 0.00 C ATOM 702 NH1 ARG A 42 -15.159 -2.637 -10.860 1.00 0.00 N1+ ATOM 703 NH2 ARG A 42 -14.773 -0.728 -12.070 1.00 0.00 N ATOM 0 H ARG A 42 -9.043 -1.858 -6.032 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.383 -0.073 -5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.176 -2.752 -7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.674 -2.291 -6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.511 -0.104 -7.796 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.298 -0.949 -8.737 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.932 -2.796 -9.152 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.144 -1.909 -8.250 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.172 -0.160 -10.262 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.974 -3.222 -10.045 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.833 -2.940 -11.563 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.291 0.163 -12.193 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.450 -1.042 -12.766 1.00 0.00 H new ATOM 717 N LEU A 43 -11.989 -1.081 -3.631 1.00 0.00 N ATOM 718 CA LEU A 43 -12.251 -1.542 -2.263 1.00 0.00 C ATOM 719 C LEU A 43 -13.455 -2.494 -2.248 1.00 0.00 C ATOM 720 O LEU A 43 -14.576 -2.121 -2.621 1.00 0.00 O ATOM 721 CB LEU A 43 -12.478 -0.323 -1.354 1.00 0.00 C ATOM 722 CG LEU A 43 -12.238 -0.526 0.150 1.00 0.00 C ATOM 723 CD1 LEU A 43 -10.748 -0.582 0.474 1.00 0.00 C ATOM 724 CD2 LEU A 43 -12.902 0.594 0.932 1.00 0.00 C ATOM 0 H LEU A 43 -12.506 -0.240 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.392 -2.097 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.827 0.482 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.505 0.017 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.677 -1.481 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.614 -0.726 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.290 -1.412 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.275 0.352 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.729 0.446 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.480 1.551 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.974 0.590 0.734 1.00 0.00 H new ATOM 736 N ILE A 44 -13.216 -3.740 -1.834 1.00 0.00 N ATOM 737 CA ILE A 44 -14.269 -4.742 -1.840 1.00 0.00 C ATOM 738 C ILE A 44 -14.384 -5.578 -0.565 1.00 0.00 C ATOM 739 O ILE A 44 -13.415 -5.756 0.157 1.00 0.00 O ATOM 740 CB ILE A 44 -14.074 -5.641 -3.085 1.00 0.00 C ATOM 741 CG1 ILE A 44 -14.724 -4.912 -4.280 1.00 0.00 C ATOM 742 CG2 ILE A 44 -14.616 -7.055 -2.880 1.00 0.00 C ATOM 743 CD1 ILE A 44 -14.931 -5.732 -5.520 1.00 0.00 C ATOM 0 H ILE A 44 -12.313 -4.071 -1.495 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.217 -4.206 -1.881 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.012 -5.792 -3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.691 -4.523 -3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.104 -4.053 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -14.453 -7.642 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.099 -7.525 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -15.684 -7.008 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -15.394 -5.116 -6.291 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.969 -6.099 -5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.581 -6.577 -5.293 1.00 0.00 H new ATOM 755 N TYR A 45 -15.616 -6.064 -0.304 1.00 0.00 N ATOM 756 CA TYR A 45 -15.880 -6.945 0.841 1.00 0.00 C ATOM 757 C TYR A 45 -16.344 -8.303 0.318 1.00 0.00 C ATOM 758 O TYR A 45 -17.215 -8.362 -0.553 1.00 0.00 O ATOM 759 CB TYR A 45 -16.945 -6.352 1.781 1.00 0.00 C ATOM 760 CG TYR A 45 -16.806 -6.762 3.242 1.00 0.00 C ATOM 761 CD1 TYR A 45 -17.016 -8.079 3.647 1.00 0.00 C ATOM 762 CD2 TYR A 45 -16.474 -5.827 4.220 1.00 0.00 C ATOM 763 CE1 TYR A 45 -16.899 -8.448 4.974 1.00 0.00 C ATOM 764 CE2 TYR A 45 -16.354 -6.190 5.548 1.00 0.00 C ATOM 765 CZ TYR A 45 -16.567 -7.501 5.919 1.00 0.00 C ATOM 766 OH TYR A 45 -16.449 -7.866 7.241 1.00 0.00 O ATOM 0 H TYR A 45 -16.438 -5.859 -0.872 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.961 -7.053 1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.901 -5.265 1.717 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.931 -6.652 1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -17.275 -8.825 2.910 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.307 -4.799 3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -17.067 -9.473 5.269 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -16.095 -5.451 6.291 1.00 0.00 H new ATOM 0 HH TYR A 45 -16.209 -7.081 7.777 1.00 0.00 H new ATOM 776 N SER A 46 -15.741 -9.397 0.842 1.00 0.00 N ATOM 777 CA SER A 46 -16.066 -10.798 0.445 1.00 0.00 C ATOM 778 C SER A 46 -15.480 -11.162 -0.928 1.00 0.00 C ATOM 779 O SER A 46 -14.814 -12.190 -1.076 1.00 0.00 O ATOM 780 CB SER A 46 -17.586 -11.052 0.425 1.00 0.00 C ATOM 781 OG SER A 46 -18.170 -10.780 1.688 1.00 0.00 O ATOM 0 H SER A 46 -15.013 -9.338 1.554 1.00 0.00 H new ATOM 0 HA SER A 46 -15.608 -11.434 1.203 1.00 0.00 H new ATOM 0 HB2 SER A 46 -18.052 -10.426 -0.336 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.780 -12.088 0.148 1.00 0.00 H new ATOM 0 HG SER A 46 -19.135 -10.948 1.645 1.00 0.00 H new ATOM 787 N GLY A 47 -15.744 -10.301 -1.911 1.00 0.00 N ATOM 788 CA GLY A 47 -15.288 -10.504 -3.281 1.00 0.00 C ATOM 789 C GLY A 47 -16.010 -9.572 -4.238 1.00 0.00 C ATOM 790 O GLY A 47 -15.745 -9.562 -5.442 1.00 0.00 O ATOM 0 H GLY A 47 -16.280 -9.444 -1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.213 -10.331 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.461 -11.539 -3.576 1.00 0.00 H new ATOM 794 N LYS A 48 -16.933 -8.788 -3.662 1.00 0.00 N ATOM 795 CA LYS A 48 -17.737 -7.804 -4.385 1.00 0.00 C ATOM 796 C LYS A 48 -17.945 -6.570 -3.526 1.00 0.00 C ATOM 797 O LYS A 48 -18.178 -6.732 -2.320 1.00 0.00 O ATOM 798 CB LYS A 48 -19.115 -8.368 -4.659 1.00 0.00 C ATOM 799 CG LYS A 48 -19.154 -9.485 -5.694 1.00 0.00 C ATOM 800 CD LYS A 48 -20.568 -10.011 -5.892 1.00 0.00 C ATOM 801 CE LYS A 48 -20.613 -11.143 -6.909 1.00 0.00 C ATOM 802 NZ LYS A 48 -20.427 -10.656 -8.305 1.00 0.00 N1+ ATOM 0 H LYS A 48 -17.142 -8.824 -2.664 1.00 0.00 H new ATOM 0 HA LYS A 48 -17.214 -7.559 -5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -19.531 -8.743 -3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -19.763 -7.558 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.765 -9.117 -6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.503 -10.299 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.962 -10.363 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -21.215 -9.199 -6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.836 -11.871 -6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -21.569 -11.661 -6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.465 -11.462 -8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.182 -9.981 -8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -19.504 -10.185 -8.388 1.00 0.00 H new ATOM 816 N GLN A 49 -17.871 -5.333 -4.092 1.00 0.00 N ATOM 817 CA GLN A 49 -18.143 -4.151 -3.254 1.00 0.00 C ATOM 818 C GLN A 49 -18.109 -2.757 -3.901 1.00 0.00 C ATOM 819 O GLN A 49 -18.620 -2.516 -4.997 1.00 0.00 O ATOM 820 CB GLN A 49 -17.269 -4.135 -2.007 1.00 0.00 C ATOM 821 CG GLN A 49 -18.048 -4.170 -0.704 1.00 0.00 C ATOM 822 CD GLN A 49 -17.575 -3.122 0.284 1.00 0.00 C ATOM 823 OE1 GLN A 49 -18.202 -2.080 0.434 1.00 0.00 O ATOM 824 NE2 GLN A 49 -16.450 -3.380 0.944 1.00 0.00 N ATOM 0 H GLN A 49 -17.639 -5.142 -5.067 1.00 0.00 H new ATOM 0 HA GLN A 49 -19.197 -4.307 -3.024 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.595 -4.991 -2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.648 -3.239 -2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.107 -4.016 -0.913 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.953 -5.158 -0.254 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.959 -4.260 0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.078 -2.698 1.605 1.00 0.00 H new ATOM 833 N MET A 50 -17.465 -1.867 -3.131 1.00 0.00 N ATOM 834 CA MET A 50 -17.347 -0.420 -3.320 1.00 0.00 C ATOM 835 C MET A 50 -17.270 0.134 -4.737 1.00 0.00 C ATOM 836 O MET A 50 -16.730 -0.478 -5.663 1.00 0.00 O ATOM 837 CB MET A 50 -16.150 0.064 -2.520 1.00 0.00 C ATOM 838 CG MET A 50 -16.296 -0.233 -1.040 1.00 0.00 C ATOM 839 SD MET A 50 -17.710 0.639 -0.352 1.00 0.00 S ATOM 840 CE MET A 50 -17.265 0.627 1.363 1.00 0.00 C ATOM 0 H MET A 50 -16.973 -2.170 -2.290 1.00 0.00 H new ATOM 0 HA MET A 50 -18.305 -0.033 -2.973 1.00 0.00 H new ATOM 0 HB2 MET A 50 -15.245 -0.413 -2.898 1.00 0.00 H new ATOM 0 HB3 MET A 50 -16.028 1.138 -2.664 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.416 -1.306 -0.890 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.389 0.063 -0.514 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.168 0.652 1.973 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.701 -0.279 1.586 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.652 1.500 1.586 1.00 0.00 H new ATOM 850 N ASN A 51 -17.849 1.333 -4.836 1.00 0.00 N ATOM 851 CA ASN A 51 -17.882 2.147 -6.043 1.00 0.00 C ATOM 852 C ASN A 51 -17.522 3.581 -5.646 1.00 0.00 C ATOM 853 O ASN A 51 -17.776 3.986 -4.506 1.00 0.00 O ATOM 854 CB ASN A 51 -19.268 2.102 -6.691 1.00 0.00 C ATOM 855 CG ASN A 51 -19.524 0.795 -7.414 1.00 0.00 C ATOM 856 OD1 ASN A 51 -19.305 0.687 -8.621 1.00 0.00 O ATOM 857 ND2 ASN A 51 -19.981 -0.208 -6.676 1.00 0.00 N ATOM 0 H ASN A 51 -18.323 1.775 -4.048 1.00 0.00 H new ATOM 0 HA ASN A 51 -17.170 1.764 -6.774 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -20.030 2.246 -5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -19.364 2.929 -7.395 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.165 -1.115 -7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -20.148 -0.073 -5.679 1.00 0.00 H new ATOM 864 N ASP A 52 -16.952 4.359 -6.577 1.00 0.00 N ATOM 865 CA ASP A 52 -16.541 5.753 -6.287 1.00 0.00 C ATOM 866 C ASP A 52 -17.734 6.678 -5.971 1.00 0.00 C ATOM 867 O ASP A 52 -17.538 7.815 -5.530 1.00 0.00 O ATOM 868 CB ASP A 52 -15.731 6.332 -7.452 1.00 0.00 C ATOM 869 CG ASP A 52 -14.420 5.601 -7.678 1.00 0.00 C ATOM 870 OD1 ASP A 52 -13.407 5.993 -7.061 1.00 0.00 O ATOM 871 OD2 ASP A 52 -14.406 4.636 -8.472 1.00 0.00 O1- ATOM 0 H ASP A 52 -16.763 4.056 -7.532 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.919 5.709 -5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.329 6.286 -8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.526 7.385 -7.258 1.00 0.00 H new ATOM 876 N GLU A 53 -18.955 6.179 -6.191 1.00 0.00 N ATOM 877 CA GLU A 53 -20.176 6.946 -5.920 1.00 0.00 C ATOM 878 C GLU A 53 -20.770 6.584 -4.550 1.00 0.00 C ATOM 879 O GLU A 53 -21.690 7.256 -4.071 1.00 0.00 O ATOM 880 CB GLU A 53 -21.217 6.701 -7.020 1.00 0.00 C ATOM 881 CG GLU A 53 -20.889 7.380 -8.342 1.00 0.00 C ATOM 882 CD GLU A 53 -21.935 7.117 -9.407 1.00 0.00 C ATOM 883 OE1 GLU A 53 -22.898 7.906 -9.501 1.00 0.00 O ATOM 884 OE2 GLU A 53 -21.791 6.122 -10.148 1.00 0.00 O1- ATOM 0 H GLU A 53 -19.124 5.242 -6.558 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.908 8.002 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.309 5.628 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.188 7.054 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.801 8.455 -8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.919 7.029 -8.696 1.00 0.00 H new ATOM 891 N LYS A 54 -20.231 5.525 -3.927 1.00 0.00 N ATOM 892 CA LYS A 54 -20.701 5.058 -2.617 1.00 0.00 C ATOM 893 C LYS A 54 -19.756 5.514 -1.494 1.00 0.00 C ATOM 894 O LYS A 54 -18.699 6.097 -1.761 1.00 0.00 O ATOM 895 CB LYS A 54 -20.825 3.521 -2.620 1.00 0.00 C ATOM 896 CG LYS A 54 -21.917 2.975 -3.539 1.00 0.00 C ATOM 897 CD LYS A 54 -23.280 2.956 -2.857 1.00 0.00 C ATOM 898 CE LYS A 54 -24.355 2.401 -3.777 1.00 0.00 C ATOM 899 NZ LYS A 54 -25.687 2.355 -3.112 1.00 0.00 N1+ ATOM 0 H LYS A 54 -19.465 4.974 -4.314 1.00 0.00 H new ATOM 0 HA LYS A 54 -21.681 5.496 -2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -19.868 3.093 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -21.022 3.183 -1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -21.971 3.585 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -21.655 1.965 -3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -23.227 2.351 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -23.549 3.967 -2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -24.418 3.017 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -24.075 1.398 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -26.392 1.971 -3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -25.634 1.747 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -25.967 3.316 -2.828 1.00 0.00 H new ATOM 913 N THR A 55 -20.157 5.252 -0.239 1.00 0.00 N ATOM 914 CA THR A 55 -19.355 5.615 0.933 1.00 0.00 C ATOM 915 C THR A 55 -19.209 4.414 1.873 1.00 0.00 C ATOM 916 O THR A 55 -19.974 3.447 1.779 1.00 0.00 O ATOM 917 CB THR A 55 -19.968 6.802 1.724 1.00 0.00 C ATOM 918 OG1 THR A 55 -21.272 6.461 2.212 1.00 0.00 O ATOM 919 CG2 THR A 55 -20.064 8.066 0.877 1.00 0.00 C ATOM 0 H THR A 55 -21.037 4.788 -0.013 1.00 0.00 H new ATOM 0 HA THR A 55 -18.378 5.923 0.560 1.00 0.00 H new ATOM 0 HB THR A 55 -19.300 7.002 2.562 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.687 5.809 1.609 1.00 0.00 H new ATOM 0 HG21 THR A 55 -20.498 8.870 1.471 1.00 0.00 H new ATOM 0 HG22 THR A 55 -19.068 8.358 0.545 1.00 0.00 H new ATOM 0 HG23 THR A 55 -20.695 7.875 0.009 1.00 0.00 H new ATOM 927 N ALA A 56 -18.238 4.496 2.796 1.00 0.00 N ATOM 928 CA ALA A 56 -17.963 3.423 3.771 1.00 0.00 C ATOM 929 C ALA A 56 -19.182 3.094 4.647 1.00 0.00 C ATOM 930 O ALA A 56 -19.431 1.923 4.965 1.00 0.00 O ATOM 931 CB ALA A 56 -16.781 3.814 4.638 1.00 0.00 C ATOM 0 H ALA A 56 -17.622 5.304 2.889 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.728 2.520 3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.579 3.020 5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.903 3.966 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -17.010 4.737 5.171 1.00 0.00 H new ATOM 937 N ALA A 57 -19.942 4.136 5.016 1.00 0.00 N ATOM 938 CA ALA A 57 -21.145 3.990 5.849 1.00 0.00 C ATOM 939 C ALA A 57 -22.244 3.183 5.147 1.00 0.00 C ATOM 940 O ALA A 57 -23.044 2.513 5.808 1.00 0.00 O ATOM 941 CB ALA A 57 -21.675 5.359 6.247 1.00 0.00 C ATOM 0 H ALA A 57 -19.741 5.099 4.747 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.856 3.436 6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.566 5.239 6.864 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -20.912 5.894 6.812 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -21.928 5.926 5.351 1.00 0.00 H new ATOM 947 N ASP A 58 -22.252 3.223 3.799 1.00 0.00 N ATOM 948 CA ASP A 58 -23.247 2.500 2.990 1.00 0.00 C ATOM 949 C ASP A 58 -23.122 0.980 3.150 1.00 0.00 C ATOM 950 O ASP A 58 -24.059 0.239 2.837 1.00 0.00 O ATOM 951 CB ASP A 58 -23.100 2.875 1.514 1.00 0.00 C ATOM 952 CG ASP A 58 -23.789 4.183 1.175 1.00 0.00 C ATOM 953 OD1 ASP A 58 -25.030 4.248 1.291 1.00 0.00 O ATOM 954 OD2 ASP A 58 -23.087 5.140 0.787 1.00 0.00 O1- ATOM 0 H ASP A 58 -21.576 3.752 3.248 1.00 0.00 H new ATOM 0 HA ASP A 58 -24.233 2.795 3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.041 2.951 1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.516 2.079 0.897 1.00 0.00 H new ATOM 959 N TYR A 59 -21.960 0.532 3.639 1.00 0.00 N ATOM 960 CA TYR A 59 -21.702 -0.888 3.861 1.00 0.00 C ATOM 961 C TYR A 59 -21.459 -1.168 5.354 1.00 0.00 C ATOM 962 O TYR A 59 -20.918 -2.218 5.723 1.00 0.00 O ATOM 963 CB TYR A 59 -20.510 -1.342 3.009 1.00 0.00 C ATOM 964 CG TYR A 59 -20.799 -1.372 1.521 1.00 0.00 C ATOM 965 CD1 TYR A 59 -20.618 -0.240 0.731 1.00 0.00 C ATOM 966 CD2 TYR A 59 -21.246 -2.534 0.904 1.00 0.00 C ATOM 967 CE1 TYR A 59 -20.873 -0.266 -0.628 1.00 0.00 C ATOM 968 CE2 TYR A 59 -21.502 -2.568 -0.455 1.00 0.00 C ATOM 969 CZ TYR A 59 -21.314 -1.433 -1.215 1.00 0.00 C ATOM 970 OH TYR A 59 -21.569 -1.466 -2.567 1.00 0.00 O ATOM 0 H TYR A 59 -21.181 1.141 3.889 1.00 0.00 H new ATOM 0 HA TYR A 59 -22.579 -1.460 3.557 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -19.668 -0.674 3.193 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -20.203 -2.337 3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -20.272 0.675 1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -21.396 -3.425 1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -20.728 0.622 -1.225 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.848 -3.480 -0.919 1.00 0.00 H new ATOM 0 HH TYR A 59 -21.871 -2.363 -2.821 1.00 0.00 H new ATOM 980 N LYS A 60 -21.897 -0.212 6.213 1.00 0.00 N ATOM 981 CA LYS A 60 -21.774 -0.281 7.698 1.00 0.00 C ATOM 982 C LYS A 60 -20.391 -0.769 8.192 1.00 0.00 C ATOM 983 O LYS A 60 -20.290 -1.466 9.210 1.00 0.00 O ATOM 984 CB LYS A 60 -22.935 -1.110 8.336 1.00 0.00 C ATOM 985 CG LYS A 60 -23.216 -2.486 7.716 1.00 0.00 C ATOM 986 CD LYS A 60 -22.264 -3.561 8.230 1.00 0.00 C ATOM 987 CE LYS A 60 -22.498 -4.896 7.540 1.00 0.00 C ATOM 988 NZ LYS A 60 -21.975 -4.908 6.144 1.00 0.00 N1+ ATOM 0 H LYS A 60 -22.353 0.642 5.892 1.00 0.00 H new ATOM 0 HA LYS A 60 -21.862 0.749 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -22.712 -1.252 9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -23.848 -0.518 8.279 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -24.243 -2.778 7.937 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -23.130 -2.417 6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -21.234 -3.243 8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -22.395 -3.679 9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -22.017 -5.688 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -23.566 -5.115 7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -22.745 -5.146 5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -21.596 -3.969 5.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -21.219 -5.617 6.063 1.00 0.00 H new ATOM 1002 N ILE A 61 -19.328 -0.369 7.478 1.00 0.00 N ATOM 1003 CA ILE A 61 -17.955 -0.753 7.839 1.00 0.00 C ATOM 1004 C ILE A 61 -17.388 0.216 8.884 1.00 0.00 C ATOM 1005 O ILE A 61 -17.493 1.437 8.733 1.00 0.00 O ATOM 1006 CB ILE A 61 -17.033 -0.808 6.585 1.00 0.00 C ATOM 1007 CG1 ILE A 61 -17.679 -1.688 5.500 1.00 0.00 C ATOM 1008 CG2 ILE A 61 -15.641 -1.345 6.948 1.00 0.00 C ATOM 1009 CD1 ILE A 61 -17.197 -1.404 4.091 1.00 0.00 C ATOM 0 H ILE A 61 -19.393 0.220 6.648 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.988 -1.754 8.270 1.00 0.00 H new ATOM 0 HB ILE A 61 -16.913 0.205 6.200 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -17.482 -2.734 5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.760 -1.551 5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -15.017 -1.373 6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -15.182 -0.693 7.691 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -15.734 -2.351 7.357 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.704 -2.069 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.419 -0.369 3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -16.121 -1.570 4.034 1.00 0.00 H new ATOM 1021 N LEU A 62 -16.789 -0.352 9.938 1.00 0.00 N ATOM 1022 CA LEU A 62 -16.218 0.434 11.033 1.00 0.00 C ATOM 1023 C LEU A 62 -14.804 -0.050 11.390 1.00 0.00 C ATOM 1024 O LEU A 62 -14.342 -1.095 10.896 1.00 0.00 O ATOM 1025 CB LEU A 62 -17.143 0.350 12.263 1.00 0.00 C ATOM 1026 CG LEU A 62 -17.087 1.545 13.225 1.00 0.00 C ATOM 1027 CD1 LEU A 62 -18.029 2.655 12.773 1.00 0.00 C ATOM 1028 CD2 LEU A 62 -17.428 1.101 14.640 1.00 0.00 C ATOM 0 H LEU A 62 -16.688 -1.360 10.053 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.138 1.472 10.710 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -18.170 0.236 11.915 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.894 -0.553 12.820 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.071 1.940 13.217 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -17.970 3.489 13.472 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -17.741 2.994 11.778 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -19.051 2.276 12.746 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -17.384 1.959 15.311 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.433 0.678 14.657 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -16.712 0.347 14.967 1.00 0.00 H new ATOM 1040 N GLY A 63 -14.126 0.723 12.265 1.00 0.00 N ATOM 1041 CA GLY A 63 -12.770 0.400 12.713 1.00 0.00 C ATOM 1042 C GLY A 63 -12.658 -0.996 13.302 1.00 0.00 C ATOM 1043 O GLY A 63 -13.187 -1.266 14.385 1.00 0.00 O ATOM 0 H GLY A 63 -14.505 1.578 12.672 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.084 0.490 11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.456 1.130 13.459 1.00 0.00 H new ATOM 1047 N GLY A 64 -11.964 -1.868 12.574 1.00 0.00 N ATOM 1048 CA GLY A 64 -11.794 -3.248 12.994 1.00 0.00 C ATOM 1049 C GLY A 64 -12.249 -4.243 11.938 1.00 0.00 C ATOM 1050 O GLY A 64 -12.012 -5.446 12.084 1.00 0.00 O ATOM 0 H GLY A 64 -11.511 -1.638 11.689 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.744 -3.426 13.227 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.357 -3.416 13.912 1.00 0.00 H new ATOM 1054 N SER A 65 -12.904 -3.745 10.870 1.00 0.00 N ATOM 1055 CA SER A 65 -13.389 -4.600 9.780 1.00 0.00 C ATOM 1056 C SER A 65 -12.263 -4.962 8.805 1.00 0.00 C ATOM 1057 O SER A 65 -11.241 -4.270 8.734 1.00 0.00 O ATOM 1058 CB SER A 65 -14.525 -3.899 9.036 1.00 0.00 C ATOM 1059 OG SER A 65 -15.635 -3.677 9.889 1.00 0.00 O ATOM 0 H SER A 65 -13.107 -2.753 10.744 1.00 0.00 H new ATOM 0 HA SER A 65 -13.759 -5.527 10.218 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.171 -2.947 8.640 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.833 -4.504 8.184 1.00 0.00 H new ATOM 0 HG SER A 65 -15.472 -2.882 10.438 1.00 0.00 H new ATOM 1065 N VAL A 66 -12.473 -6.053 8.060 1.00 0.00 N ATOM 1066 CA VAL A 66 -11.496 -6.539 7.082 1.00 0.00 C ATOM 1067 C VAL A 66 -11.998 -6.210 5.678 1.00 0.00 C ATOM 1068 O VAL A 66 -13.192 -6.355 5.396 1.00 0.00 O ATOM 1069 CB VAL A 66 -11.248 -8.074 7.220 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -10.070 -8.533 6.359 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -11.005 -8.469 8.675 1.00 0.00 C ATOM 0 H VAL A 66 -13.319 -6.620 8.118 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.544 -6.042 7.268 1.00 0.00 H new ATOM 0 HB VAL A 66 -12.151 -8.572 6.867 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.927 -9.607 6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.276 -8.311 5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.166 -8.009 6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.836 -9.544 8.737 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.130 -7.941 9.054 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.876 -8.204 9.274 1.00 0.00 H new ATOM 1081 N LEU A 67 -11.086 -5.772 4.804 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.460 -5.403 3.439 1.00 0.00 C ATOM 1083 C LEU A 67 -10.540 -6.028 2.393 1.00 0.00 C ATOM 1084 O LEU A 67 -9.327 -6.131 2.587 1.00 0.00 O ATOM 1085 CB LEU A 67 -11.471 -3.869 3.275 1.00 0.00 C ATOM 1086 CG LEU A 67 -12.348 -3.073 4.267 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -12.052 -1.589 4.149 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -13.835 -3.325 4.031 1.00 0.00 C ATOM 0 H LEU A 67 -10.094 -5.666 5.016 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.463 -5.795 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.446 -3.510 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.805 -3.637 2.264 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.105 -3.415 5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.675 -1.037 4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.001 -1.408 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -12.267 -1.255 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.420 -2.748 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.099 -3.021 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.049 -4.386 4.159 1.00 0.00 H new ATOM 1100 N HIS A 68 -11.162 -6.442 1.288 1.00 0.00 N ATOM 1101 CA HIS A 68 -10.478 -7.046 0.147 1.00 0.00 C ATOM 1102 C HIS A 68 -10.419 -6.056 -1.011 1.00 0.00 C ATOM 1103 O HIS A 68 -11.444 -5.747 -1.624 1.00 0.00 O ATOM 1104 CB HIS A 68 -11.223 -8.305 -0.309 1.00 0.00 C ATOM 1105 CG HIS A 68 -10.912 -9.522 0.507 1.00 0.00 C ATOM 1106 ND1 HIS A 68 -10.031 -10.501 0.096 1.00 0.00 N ATOM 1107 CD2 HIS A 68 -11.372 -9.918 1.718 1.00 0.00 C ATOM 1108 CE1 HIS A 68 -9.963 -11.445 1.017 1.00 0.00 C ATOM 1109 NE2 HIS A 68 -10.767 -11.114 2.012 1.00 0.00 N ATOM 0 H HIS A 68 -12.171 -6.365 1.160 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.466 -7.312 0.452 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.296 -8.116 -0.267 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -10.975 -8.505 -1.351 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -12.083 -9.391 2.337 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.354 -12.336 0.966 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -10.914 -11.659 2.861 1.00 0.00 H new ATOM 1118 N LEU A 69 -9.221 -5.561 -1.309 1.00 0.00 N ATOM 1119 CA LEU A 69 -9.034 -4.604 -2.397 1.00 0.00 C ATOM 1120 C LEU A 69 -8.612 -5.324 -3.679 1.00 0.00 C ATOM 1121 O LEU A 69 -7.541 -5.941 -3.726 1.00 0.00 O ATOM 1122 CB LEU A 69 -7.995 -3.543 -1.986 1.00 0.00 C ATOM 1123 CG LEU A 69 -7.846 -2.333 -2.923 1.00 0.00 C ATOM 1124 CD1 LEU A 69 -7.627 -1.061 -2.118 1.00 0.00 C ATOM 1125 CD2 LEU A 69 -6.695 -2.549 -3.894 1.00 0.00 C ATOM 0 H LEU A 69 -8.364 -5.806 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.980 -4.101 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.256 -3.176 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.024 -4.031 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.767 -2.227 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.524 -0.214 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.480 -0.896 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.721 -1.160 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.604 -1.683 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.768 -2.680 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.887 -3.439 -4.493 1.00 0.00 H new ATOM 1137 N VAL A 70 -9.465 -5.252 -4.714 1.00 0.00 N ATOM 1138 CA VAL A 70 -9.147 -5.886 -6.000 1.00 0.00 C ATOM 1139 C VAL A 70 -8.550 -4.872 -6.977 1.00 0.00 C ATOM 1140 O VAL A 70 -9.049 -3.749 -7.109 1.00 0.00 O ATOM 1141 CB VAL A 70 -10.364 -6.604 -6.653 1.00 0.00 C ATOM 1142 CG1 VAL A 70 -10.614 -7.937 -5.969 1.00 0.00 C ATOM 1143 CG2 VAL A 70 -11.633 -5.750 -6.634 1.00 0.00 C ATOM 0 H VAL A 70 -10.364 -4.770 -4.686 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.408 -6.656 -5.778 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.112 -6.772 -7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.468 -8.430 -6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.731 -8.568 -6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.823 -7.770 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.449 -6.300 -7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.898 -5.515 -5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.457 -4.825 -7.183 1.00 0.00 H new ATOM 1153 N LEU A 71 -7.472 -5.292 -7.645 1.00 0.00 N ATOM 1154 CA LEU A 71 -6.756 -4.447 -8.604 1.00 0.00 C ATOM 1155 C LEU A 71 -7.232 -4.709 -10.036 1.00 0.00 C ATOM 1156 O LEU A 71 -7.803 -5.764 -10.328 1.00 0.00 O ATOM 1157 CB LEU A 71 -5.242 -4.701 -8.487 1.00 0.00 C ATOM 1158 CG LEU A 71 -4.326 -3.618 -9.084 1.00 0.00 C ATOM 1159 CD1 LEU A 71 -4.109 -2.478 -8.096 1.00 0.00 C ATOM 1160 CD2 LEU A 71 -2.993 -4.221 -9.499 1.00 0.00 C ATOM 0 H LEU A 71 -7.072 -6.224 -7.537 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.966 -3.403 -8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.994 -4.817 -7.432 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.015 -5.649 -8.974 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.817 -3.210 -9.968 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.458 -1.727 -8.544 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.068 -2.025 -7.847 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.645 -2.866 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.357 -3.442 -9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.505 -4.658 -8.628 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.161 -4.995 -10.247 1.00 0.00 H new ATOM 1172 N ALA A 72 -6.983 -3.732 -10.915 1.00 0.00 N ATOM 1173 CA ALA A 72 -7.369 -3.824 -12.323 1.00 0.00 C ATOM 1174 C ALA A 72 -6.222 -4.357 -13.180 1.00 0.00 C ATOM 1175 O ALA A 72 -5.048 -4.158 -12.851 1.00 0.00 O ATOM 1176 CB ALA A 72 -7.819 -2.463 -12.833 1.00 0.00 C ATOM 0 H ALA A 72 -6.511 -2.861 -10.670 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.199 -4.527 -12.400 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.104 -2.544 -13.882 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.674 -2.120 -12.250 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.002 -1.749 -12.733 1.00 0.00 H new ATOM 1182 N LEU A 73 -6.579 -5.034 -14.276 1.00 0.00 N ATOM 1183 CA LEU A 73 -5.595 -5.609 -15.200 1.00 0.00 C ATOM 1184 C LEU A 73 -5.320 -4.675 -16.384 1.00 0.00 C ATOM 1185 O LEU A 73 -4.271 -4.779 -17.028 1.00 0.00 O ATOM 1186 CB LEU A 73 -6.077 -6.971 -15.715 1.00 0.00 C ATOM 1187 CG LEU A 73 -6.124 -8.095 -14.671 1.00 0.00 C ATOM 1188 CD1 LEU A 73 -7.460 -8.103 -13.938 1.00 0.00 C ATOM 1189 CD2 LEU A 73 -5.871 -9.442 -15.331 1.00 0.00 C ATOM 0 H LEU A 73 -7.549 -5.198 -14.546 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.665 -5.740 -14.647 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.075 -6.848 -16.136 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.424 -7.283 -16.530 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.338 -7.912 -13.939 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.467 -8.909 -13.204 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.602 -7.149 -13.431 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.267 -8.257 -14.654 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.908 -10.229 -14.578 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.635 -9.627 -16.086 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.889 -9.437 -15.803 1.00 0.00 H new ATOM 1201 N ARG A 74 -6.269 -3.770 -16.663 1.00 0.00 N ATOM 1202 CA ARG A 74 -6.142 -2.813 -17.766 1.00 0.00 C ATOM 1203 C ARG A 74 -5.553 -1.491 -17.280 1.00 0.00 C ATOM 1204 O ARG A 74 -6.014 -0.928 -16.282 1.00 0.00 O ATOM 1205 CB ARG A 74 -7.508 -2.563 -18.421 1.00 0.00 C ATOM 1206 CG ARG A 74 -8.027 -3.729 -19.259 1.00 0.00 C ATOM 1207 CD ARG A 74 -7.511 -3.672 -20.691 1.00 0.00 C ATOM 1208 NE ARG A 74 -8.040 -4.769 -21.510 1.00 0.00 N ATOM 1209 CZ ARG A 74 -7.972 -4.826 -22.847 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -7.397 -3.850 -23.550 1.00 0.00 N1+ ATOM 1211 NH2 ARG A 74 -8.487 -5.868 -23.486 1.00 0.00 N ATOM 0 H ARG A 74 -7.137 -3.683 -16.135 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.465 -3.244 -18.504 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.236 -2.339 -17.641 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.437 -1.679 -19.055 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.722 -4.670 -18.800 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.117 -3.715 -19.265 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.790 -2.718 -21.139 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.422 -3.716 -20.686 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.492 -5.545 -21.026 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.999 -3.042 -23.071 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.355 -3.911 -24.567 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.932 -6.620 -22.960 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.438 -5.917 -24.504 1.00 0.00 H new ATOM 1225 N GLY A 75 -4.530 -1.010 -17.995 1.00 0.00 N ATOM 1226 CA GLY A 75 -3.876 0.241 -17.640 1.00 0.00 C ATOM 1227 C GLY A 75 -2.413 0.262 -18.036 1.00 0.00 C ATOM 1228 O GLY A 75 -1.542 0.501 -17.193 1.00 0.00 O ATOM 0 H GLY A 75 -4.143 -1.471 -18.819 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.393 1.068 -18.126 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.961 0.400 -16.565 1.00 0.00 H new ATOM 1232 N GLY A 76 -2.149 0.011 -19.322 1.00 0.00 N ATOM 1233 CA GLY A 76 -0.785 0.003 -19.832 1.00 0.00 C ATOM 1234 C GLY A 76 -0.595 -0.987 -20.963 1.00 0.00 C ATOM 1235 O GLY A 76 -0.787 -0.595 -22.133 1.00 0.00 O ATOM 0 H GLY A 76 -2.863 -0.188 -20.023 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.525 1.002 -20.181 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.099 -0.240 -19.021 1.00 0.00 H new TER 1239 GLY A 76 ATOM 1240 N GLY B 77 24.958 2.411 -16.882 1.00 0.00 N ATOM 1241 CA GLY B 77 24.350 2.625 -15.540 1.00 0.00 C ATOM 1242 C GLY B 77 22.879 2.261 -15.505 1.00 0.00 C ATOM 1243 O GLY B 77 22.144 2.546 -16.456 1.00 0.00 O ATOM 0 HA2 GLY B 77 24.886 2.028 -14.802 1.00 0.00 H new ATOM 0 HA3 GLY B 77 24.470 3.670 -15.253 1.00 0.00 H new ATOM 1249 N GLY B 78 22.456 1.630 -14.404 1.00 0.00 N ATOM 1250 CA GLY B 78 21.066 1.226 -14.246 1.00 0.00 C ATOM 1251 C GLY B 78 20.300 2.137 -13.308 1.00 0.00 C ATOM 1252 O GLY B 78 20.494 3.357 -13.326 1.00 0.00 O ATOM 0 H GLY B 78 23.058 1.392 -13.616 1.00 0.00 H new ATOM 0 HA2 GLY B 78 20.579 1.222 -15.221 1.00 0.00 H new ATOM 0 HA3 GLY B 78 21.029 0.205 -13.867 1.00 0.00 H new ATOM 1256 N ILE B 79 19.430 1.538 -12.488 1.00 0.00 N ATOM 1257 CA ILE B 79 18.619 2.287 -11.527 1.00 0.00 C ATOM 1258 C ILE B 79 19.054 1.967 -10.085 1.00 0.00 C ATOM 1259 O ILE B 79 19.252 0.800 -9.733 1.00 0.00 O ATOM 1260 CB ILE B 79 17.085 2.018 -11.745 1.00 0.00 C ATOM 1261 CG1 ILE B 79 16.214 2.989 -10.923 1.00 0.00 C ATOM 1262 CG2 ILE B 79 16.698 0.568 -11.436 1.00 0.00 C ATOM 1263 CD1 ILE B 79 15.955 4.316 -11.610 1.00 0.00 C ATOM 0 H ILE B 79 19.270 0.531 -12.472 1.00 0.00 H new ATOM 0 HA ILE B 79 18.785 3.351 -11.696 1.00 0.00 H new ATOM 0 HB ILE B 79 16.894 2.194 -12.803 1.00 0.00 H new ATOM 0 HG12 ILE B 79 15.259 2.510 -10.707 1.00 0.00 H new ATOM 0 HG13 ILE B 79 16.700 3.176 -9.966 1.00 0.00 H new ATOM 0 HG21 ILE B 79 15.629 0.433 -11.602 1.00 0.00 H new ATOM 0 HG22 ILE B 79 17.254 -0.104 -12.090 1.00 0.00 H new ATOM 0 HG23 ILE B 79 16.935 0.342 -10.396 1.00 0.00 H new ATOM 0 HD11 ILE B 79 15.336 4.943 -10.969 1.00 0.00 H new ATOM 0 HD12 ILE B 79 16.903 4.818 -11.801 1.00 0.00 H new ATOM 0 HD13 ILE B 79 15.439 4.142 -12.555 1.00 0.00 H new ATOM 1275 N ARG B 80 19.199 3.020 -9.273 1.00 0.00 N ATOM 1276 CA ARG B 80 19.607 2.880 -7.872 1.00 0.00 C ATOM 1277 C ARG B 80 18.735 3.743 -6.965 1.00 0.00 C ATOM 1278 O ARG B 80 18.492 4.916 -7.262 1.00 0.00 O ATOM 1279 CB ARG B 80 21.082 3.278 -7.694 1.00 0.00 C ATOM 1280 CG ARG B 80 22.084 2.320 -8.341 1.00 0.00 C ATOM 1281 CD ARG B 80 22.490 1.182 -7.408 1.00 0.00 C ATOM 1282 NE ARG B 80 21.467 0.133 -7.326 1.00 0.00 N ATOM 1283 CZ ARG B 80 21.572 -0.978 -6.581 1.00 0.00 C ATOM 1284 NH1 ARG B 80 22.654 -1.208 -5.838 1.00 0.00 N1+ ATOM 1285 NH2 ARG B 80 20.594 -1.872 -6.593 1.00 0.00 N ATOM 0 H ARG B 80 19.039 3.984 -9.565 1.00 0.00 H new ATOM 0 HA ARG B 80 19.483 1.834 -7.593 1.00 0.00 H new ATOM 0 HB2 ARG B 80 21.229 4.273 -8.113 1.00 0.00 H new ATOM 0 HB3 ARG B 80 21.300 3.345 -6.628 1.00 0.00 H new ATOM 0 HG2 ARG B 80 21.649 1.903 -9.249 1.00 0.00 H new ATOM 0 HG3 ARG B 80 22.973 2.876 -8.639 1.00 0.00 H new ATOM 0 HD2 ARG B 80 23.426 0.746 -7.757 1.00 0.00 H new ATOM 0 HD3 ARG B 80 22.677 1.582 -6.411 1.00 0.00 H new ATOM 0 HE ARG B 80 20.616 0.257 -7.874 1.00 0.00 H new ATOM 0 HH11 ARG B 80 23.420 -0.534 -5.829 1.00 0.00 H new ATOM 0 HH12 ARG B 80 22.717 -2.058 -5.278 1.00 0.00 H new ATOM 0 HH21 ARG B 80 19.766 -1.714 -7.167 1.00 0.00 H new ATOM 0 HH22 ARG B 80 20.669 -2.718 -6.028 1.00 0.00 H new ATOM 1299 N LYS B 81 18.269 3.150 -5.860 1.00 0.00 N ATOM 1300 CA LYS B 81 17.426 3.855 -4.883 1.00 0.00 C ATOM 1301 C LYS B 81 17.907 3.557 -3.456 1.00 0.00 C ATOM 1302 O LYS B 81 17.168 3.744 -2.482 1.00 0.00 O ATOM 1303 CB LYS B 81 15.946 3.459 -5.045 1.00 0.00 C ATOM 1304 CG LYS B 81 15.336 3.851 -6.385 1.00 0.00 C ATOM 1305 CD LYS B 81 13.837 3.592 -6.408 1.00 0.00 C ATOM 1306 CE LYS B 81 13.214 4.004 -7.735 1.00 0.00 C ATOM 1307 NZ LYS B 81 13.451 2.992 -8.803 1.00 0.00 N1+ ATOM 0 H LYS B 81 18.462 2.178 -5.618 1.00 0.00 H new ATOM 0 HA LYS B 81 17.511 4.926 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS B 81 15.855 2.380 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS B 81 15.368 3.923 -4.246 1.00 0.00 H new ATOM 0 HG2 LYS B 81 15.528 4.906 -6.579 1.00 0.00 H new ATOM 0 HG3 LYS B 81 15.817 3.287 -7.184 1.00 0.00 H new ATOM 0 HD2 LYS B 81 13.648 2.533 -6.230 1.00 0.00 H new ATOM 0 HD3 LYS B 81 13.360 4.141 -5.596 1.00 0.00 H new ATOM 0 HE2 LYS B 81 12.141 4.147 -7.603 1.00 0.00 H new ATOM 0 HE3 LYS B 81 13.627 4.963 -8.047 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 13.872 3.456 -9.633 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 14.100 2.260 -8.450 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 12.547 2.553 -9.072 1.00 0.00 H new ATOM 1321 N THR B 82 19.177 3.127 -3.353 1.00 0.00 N ATOM 1322 CA THR B 82 19.830 2.771 -2.078 1.00 0.00 C ATOM 1323 C THR B 82 19.765 3.888 -1.030 1.00 0.00 C ATOM 1324 O THR B 82 19.552 3.622 0.156 1.00 0.00 O ATOM 1325 CB THR B 82 21.314 2.394 -2.295 1.00 0.00 C ATOM 1326 OG1 THR B 82 21.969 3.403 -3.074 1.00 0.00 O ATOM 1327 CG2 THR B 82 21.452 1.043 -2.988 1.00 0.00 C ATOM 0 H THR B 82 19.788 3.015 -4.162 1.00 0.00 H new ATOM 0 HA THR B 82 19.270 1.915 -1.700 1.00 0.00 H new ATOM 0 HB THR B 82 21.785 2.323 -1.315 1.00 0.00 H new ATOM 0 HG1 THR B 82 22.908 3.157 -3.205 1.00 0.00 H new ATOM 0 HG21 THR B 82 22.508 0.810 -3.124 1.00 0.00 H new ATOM 0 HG22 THR B 82 20.986 0.271 -2.376 1.00 0.00 H new ATOM 0 HG23 THR B 82 20.960 1.081 -3.960 1.00 0.00 H new ATOM 1335 N ARG B 83 19.959 5.127 -1.484 1.00 0.00 N ATOM 1336 CA ARG B 83 19.952 6.306 -0.610 1.00 0.00 C ATOM 1337 C ARG B 83 18.575 6.609 0.004 1.00 0.00 C ATOM 1338 O ARG B 83 18.500 6.952 1.179 1.00 0.00 O ATOM 1339 CB ARG B 83 20.449 7.536 -1.379 1.00 0.00 C ATOM 1340 CG ARG B 83 21.951 7.543 -1.625 1.00 0.00 C ATOM 1341 CD ARG B 83 22.391 8.802 -2.353 1.00 0.00 C ATOM 1342 NE ARG B 83 23.839 8.823 -2.589 1.00 0.00 N ATOM 1343 CZ ARG B 83 24.498 9.817 -3.202 1.00 0.00 C ATOM 1344 NH1 ARG B 83 23.858 10.893 -3.654 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 83 25.811 9.729 -3.362 1.00 0.00 N ATOM 0 H ARG B 83 20.125 5.344 -2.467 1.00 0.00 H new ATOM 0 HA ARG B 83 20.623 6.074 0.217 1.00 0.00 H new ATOM 0 HB2 ARG B 83 19.933 7.586 -2.338 1.00 0.00 H new ATOM 0 HB3 ARG B 83 20.177 8.434 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG B 83 22.477 7.470 -0.673 1.00 0.00 H new ATOM 0 HG3 ARG B 83 22.229 6.667 -2.211 1.00 0.00 H new ATOM 0 HD2 ARG B 83 21.867 8.871 -3.306 1.00 0.00 H new ATOM 0 HD3 ARG B 83 22.106 9.677 -1.769 1.00 0.00 H new ATOM 0 HE ARG B 83 24.383 8.024 -2.263 1.00 0.00 H new ATOM 0 HH11 ARG B 83 22.848 10.972 -3.537 1.00 0.00 H new ATOM 0 HH12 ARG B 83 24.378 11.638 -4.118 1.00 0.00 H new ATOM 0 HH21 ARG B 83 26.313 8.909 -3.020 1.00 0.00 H new ATOM 0 HH22 ARG B 83 26.320 10.481 -3.827 1.00 0.00 H new ATOM 1359 N GLU B 84 17.498 6.474 -0.794 1.00 0.00 N ATOM 1360 CA GLU B 84 16.134 6.789 -0.348 1.00 0.00 C ATOM 1361 C GLU B 84 15.589 5.695 0.553 1.00 0.00 C ATOM 1362 O GLU B 84 14.946 5.954 1.574 1.00 0.00 O ATOM 1363 CB GLU B 84 15.214 6.988 -1.562 1.00 0.00 C ATOM 1364 CG GLU B 84 15.391 8.329 -2.270 1.00 0.00 C ATOM 1365 CD GLU B 84 16.604 8.363 -3.184 1.00 0.00 C ATOM 1366 OE1 GLU B 84 16.462 8.010 -4.374 1.00 0.00 O1- ATOM 1367 OE2 GLU B 84 17.696 8.741 -2.709 1.00 0.00 O ATOM 0 H GLU B 84 17.552 6.146 -1.758 1.00 0.00 H new ATOM 0 HA GLU B 84 16.168 7.714 0.227 1.00 0.00 H new ATOM 0 HB2 GLU B 84 15.396 6.186 -2.277 1.00 0.00 H new ATOM 0 HB3 GLU B 84 14.178 6.896 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU B 84 14.497 8.546 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU B 84 15.483 9.118 -1.524 1.00 0.00 H new ATOM 1374 N THR B 85 15.876 4.465 0.131 1.00 0.00 N ATOM 1375 CA THR B 85 15.448 3.244 0.800 1.00 0.00 C ATOM 1376 C THR B 85 15.974 3.134 2.238 1.00 0.00 C ATOM 1377 O THR B 85 15.203 3.137 3.215 1.00 0.00 O ATOM 1378 CB THR B 85 15.972 2.039 0.001 1.00 0.00 C ATOM 1379 OG1 THR B 85 17.332 2.274 -0.369 1.00 0.00 O ATOM 1380 CG2 THR B 85 15.140 1.779 -1.245 1.00 0.00 C ATOM 0 H THR B 85 16.428 4.288 -0.709 1.00 0.00 H new ATOM 0 HA THR B 85 14.359 3.263 0.847 1.00 0.00 H new ATOM 0 HB THR B 85 15.899 1.156 0.636 1.00 0.00 H new ATOM 0 HG1 THR B 85 17.361 2.721 -1.241 1.00 0.00 H new ATOM 0 HG21 THR B 85 15.545 0.920 -1.780 1.00 0.00 H new ATOM 0 HG22 THR B 85 14.109 1.575 -0.958 1.00 0.00 H new ATOM 0 HG23 THR B 85 15.170 2.656 -1.892 1.00 0.00 H new ATOM 1388 N GLU B 86 17.296 3.059 2.355 1.00 0.00 N ATOM 1389 CA GLU B 86 17.966 2.973 3.640 1.00 0.00 C ATOM 1390 C GLU B 86 17.686 4.239 4.458 1.00 0.00 C ATOM 1391 O GLU B 86 17.577 4.159 5.675 1.00 0.00 O ATOM 1392 CB GLU B 86 19.441 2.554 3.474 1.00 0.00 C ATOM 1393 CG GLU B 86 20.358 2.859 4.659 1.00 0.00 C ATOM 1394 CD GLU B 86 21.025 4.217 4.547 1.00 0.00 C ATOM 1395 OE1 GLU B 86 20.438 5.210 5.023 1.00 0.00 O1- ATOM 1396 OE2 GLU B 86 22.136 4.286 3.981 1.00 0.00 O ATOM 0 H GLU B 86 17.931 3.056 1.557 1.00 0.00 H new ATOM 0 HA GLU B 86 17.555 2.165 4.245 1.00 0.00 H new ATOM 0 HB2 GLU B 86 19.475 1.482 3.280 1.00 0.00 H new ATOM 0 HB3 GLU B 86 19.843 3.051 2.591 1.00 0.00 H new ATOM 0 HG2 GLU B 86 19.779 2.818 5.582 1.00 0.00 H new ATOM 0 HG3 GLU B 86 21.124 2.087 4.729 1.00 0.00 H new ATOM 1403 N ARG B 87 17.592 5.408 3.781 1.00 0.00 N ATOM 1404 CA ARG B 87 17.246 6.682 4.449 1.00 0.00 C ATOM 1405 C ARG B 87 15.998 6.486 5.322 1.00 0.00 C ATOM 1406 O ARG B 87 15.919 7.043 6.418 1.00 0.00 O ATOM 1407 CB ARG B 87 16.991 7.798 3.434 1.00 0.00 C ATOM 1408 CG ARG B 87 18.027 8.910 3.484 1.00 0.00 C ATOM 1409 CD ARG B 87 17.729 9.998 2.465 1.00 0.00 C ATOM 1410 NE ARG B 87 18.717 11.080 2.511 1.00 0.00 N ATOM 1411 CZ ARG B 87 18.688 12.177 1.740 1.00 0.00 C ATOM 1412 NH1 ARG B 87 17.719 12.364 0.844 1.00 0.00 N1+ ATOM 1413 NH2 ARG B 87 19.638 13.092 1.868 1.00 0.00 N ATOM 0 H ARG B 87 17.750 5.494 2.777 1.00 0.00 H new ATOM 0 HA ARG B 87 18.092 6.976 5.069 1.00 0.00 H new ATOM 0 HB2 ARG B 87 16.976 7.370 2.431 1.00 0.00 H new ATOM 0 HB3 ARG B 87 16.004 8.223 3.614 1.00 0.00 H new ATOM 0 HG2 ARG B 87 18.049 9.343 4.484 1.00 0.00 H new ATOM 0 HG3 ARG B 87 19.017 8.495 3.295 1.00 0.00 H new ATOM 0 HD2 ARG B 87 17.713 9.564 1.465 1.00 0.00 H new ATOM 0 HD3 ARG B 87 16.736 10.406 2.651 1.00 0.00 H new ATOM 0 HE ARG B 87 19.483 10.992 3.179 1.00 0.00 H new ATOM 0 HH11 ARG B 87 16.983 11.666 0.736 1.00 0.00 H new ATOM 0 HH12 ARG B 87 17.714 13.205 0.267 1.00 0.00 H new ATOM 0 HH21 ARG B 87 20.385 12.960 2.550 1.00 0.00 H new ATOM 0 HH22 ARG B 87 19.622 13.929 1.285 1.00 0.00 H new ATOM 1427 N LEU B 88 15.014 5.700 4.808 1.00 0.00 N ATOM 1428 CA LEU B 88 13.799 5.345 5.577 1.00 0.00 C ATOM 1429 C LEU B 88 14.233 4.799 6.921 1.00 0.00 C ATOM 1430 O LEU B 88 13.822 5.227 8.002 1.00 0.00 O ATOM 1431 CB LEU B 88 13.002 4.170 4.892 1.00 0.00 C ATOM 1432 CG LEU B 88 12.775 2.919 5.825 1.00 0.00 C ATOM 1433 CD1 LEU B 88 11.516 3.040 6.666 1.00 0.00 C ATOM 1434 CD2 LEU B 88 12.801 1.584 5.091 1.00 0.00 C ATOM 0 H LEU B 88 15.042 5.304 3.868 1.00 0.00 H new ATOM 0 HA LEU B 88 13.179 6.239 5.645 1.00 0.00 H new ATOM 0 HB2 LEU B 88 12.033 4.545 4.563 1.00 0.00 H new ATOM 0 HB3 LEU B 88 13.540 3.852 3.999 1.00 0.00 H new ATOM 0 HG LEU B 88 13.635 2.923 6.494 1.00 0.00 H new ATOM 0 HD11 LEU B 88 11.408 2.152 7.289 1.00 0.00 H new ATOM 0 HD12 LEU B 88 11.586 3.923 7.301 1.00 0.00 H new ATOM 0 HD13 LEU B 88 10.649 3.132 6.012 1.00 0.00 H new ATOM 0 HD21 LEU B 88 12.637 0.774 5.802 1.00 0.00 H new ATOM 0 HD22 LEU B 88 12.015 1.568 4.336 1.00 0.00 H new ATOM 0 HD23 LEU B 88 13.770 1.453 4.609 1.00 0.00 H new ATOM 1446 N ARG B 89 15.090 3.820 6.741 1.00 0.00 N ATOM 1447 CA ARG B 89 15.644 2.985 7.772 1.00 0.00 C ATOM 1448 C ARG B 89 16.667 3.693 8.697 1.00 0.00 C ATOM 1449 O ARG B 89 16.477 3.707 9.917 1.00 0.00 O ATOM 1450 CB ARG B 89 16.211 1.786 7.001 1.00 0.00 C ATOM 1451 CG ARG B 89 17.180 0.892 7.782 1.00 0.00 C ATOM 1452 CD ARG B 89 16.458 -0.154 8.620 1.00 0.00 C ATOM 1453 NE ARG B 89 17.401 -1.005 9.356 1.00 0.00 N ATOM 1454 CZ ARG B 89 17.179 -1.519 10.574 1.00 0.00 C ATOM 1455 NH1 ARG B 89 16.042 -1.284 11.224 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 89 18.109 -2.271 11.147 1.00 0.00 N ATOM 0 H ARG B 89 15.437 3.574 5.814 1.00 0.00 H new ATOM 0 HA ARG B 89 14.891 2.686 8.501 1.00 0.00 H new ATOM 0 HB2 ARG B 89 15.379 1.173 6.655 1.00 0.00 H new ATOM 0 HB3 ARG B 89 16.723 2.157 6.114 1.00 0.00 H new ATOM 0 HG2 ARG B 89 17.853 0.393 7.084 1.00 0.00 H new ATOM 0 HG3 ARG B 89 17.798 1.512 8.432 1.00 0.00 H new ATOM 0 HD2 ARG B 89 15.789 0.342 9.324 1.00 0.00 H new ATOM 0 HD3 ARG B 89 15.837 -0.774 7.973 1.00 0.00 H new ATOM 0 HE ARG B 89 18.291 -1.221 8.907 1.00 0.00 H new ATOM 0 HH11 ARG B 89 15.321 -0.704 10.796 1.00 0.00 H new ATOM 0 HH12 ARG B 89 15.892 -1.684 12.150 1.00 0.00 H new ATOM 0 HH21 ARG B 89 18.987 -2.455 10.661 1.00 0.00 H new ATOM 0 HH22 ARG B 89 17.947 -2.665 12.074 1.00 0.00 H new ATOM 1470 N ARG B 90 17.730 4.272 8.124 1.00 0.00 N ATOM 1471 CA ARG B 90 18.772 4.955 8.910 1.00 0.00 C ATOM 1472 C ARG B 90 18.281 6.293 9.482 1.00 0.00 C ATOM 1473 O ARG B 90 18.564 6.617 10.639 1.00 0.00 O ATOM 1474 CB ARG B 90 20.026 5.165 8.053 1.00 0.00 C ATOM 1475 CG ARG B 90 21.331 4.982 8.817 1.00 0.00 C ATOM 1476 CD ARG B 90 22.506 4.775 7.874 1.00 0.00 C ATOM 1477 NE ARG B 90 23.760 4.541 8.600 1.00 0.00 N ATOM 1478 CZ ARG B 90 24.316 3.335 8.801 1.00 0.00 C ATOM 1479 NH1 ARG B 90 23.743 2.223 8.340 1.00 0.00 N1+ ATOM 1480 NH2 ARG B 90 25.458 3.245 9.470 1.00 0.00 N ATOM 0 H ARG B 90 17.893 4.282 7.117 1.00 0.00 H new ATOM 0 HA ARG B 90 19.018 4.314 9.757 1.00 0.00 H new ATOM 0 HB2 ARG B 90 20.004 4.466 7.217 1.00 0.00 H new ATOM 0 HB3 ARG B 90 20.001 6.169 7.630 1.00 0.00 H new ATOM 0 HG2 ARG B 90 21.514 5.857 9.441 1.00 0.00 H new ATOM 0 HG3 ARG B 90 21.245 4.126 9.486 1.00 0.00 H new ATOM 0 HD2 ARG B 90 22.302 3.926 7.221 1.00 0.00 H new ATOM 0 HD3 ARG B 90 22.616 5.651 7.234 1.00 0.00 H new ATOM 0 HE ARG B 90 24.245 5.354 8.980 1.00 0.00 H new ATOM 0 HH11 ARG B 90 22.865 2.278 7.823 1.00 0.00 H new ATOM 0 HH12 ARG B 90 24.182 1.317 8.504 1.00 0.00 H new ATOM 0 HH21 ARG B 90 25.907 4.088 9.828 1.00 0.00 H new ATOM 0 HH22 ARG B 90 25.887 2.333 9.627 1.00 0.00 H new ATOM 1494 N GLN B 91 17.547 7.057 8.663 1.00 0.00 N ATOM 1495 CA GLN B 91 17.000 8.352 9.081 1.00 0.00 C ATOM 1496 C GLN B 91 15.553 8.190 9.568 1.00 0.00 C ATOM 1497 O GLN B 91 14.970 7.107 9.446 1.00 0.00 O ATOM 1498 CB GLN B 91 17.073 9.367 7.925 1.00 0.00 C ATOM 1499 CG GLN B 91 18.486 9.847 7.600 1.00 0.00 C ATOM 1500 CD GLN B 91 18.988 10.907 8.565 1.00 0.00 C ATOM 1501 OE1 GLN B 91 19.597 10.594 9.587 1.00 0.00 O ATOM 1502 NE2 GLN B 91 18.731 12.170 8.243 1.00 0.00 N ATOM 0 H GLN B 91 17.318 6.798 7.703 1.00 0.00 H new ATOM 0 HA GLN B 91 17.601 8.731 9.908 1.00 0.00 H new ATOM 0 HB2 GLN B 91 16.641 8.915 7.032 1.00 0.00 H new ATOM 0 HB3 GLN B 91 16.457 10.231 8.175 1.00 0.00 H new ATOM 0 HG2 GLN B 91 19.166 8.996 7.618 1.00 0.00 H new ATOM 0 HG3 GLN B 91 18.504 10.248 6.587 1.00 0.00 H new ATOM 0 HE21 GLN B 91 18.223 12.384 7.385 1.00 0.00 H new ATOM 0 HE22 GLN B 91 19.042 12.925 8.854 1.00 0.00 H new ATOM 1511 N LEU B 92 14.981 9.270 10.121 1.00 0.00 N ATOM 1512 CA LEU B 92 13.605 9.256 10.639 1.00 0.00 C ATOM 1513 C LEU B 92 12.564 9.524 9.533 1.00 0.00 C ATOM 1514 O LEU B 92 11.422 9.911 9.820 1.00 0.00 O ATOM 1515 CB LEU B 92 13.468 10.291 11.770 1.00 0.00 C ATOM 1516 CG LEU B 92 14.250 9.979 13.052 1.00 0.00 C ATOM 1517 CD1 LEU B 92 14.663 11.265 13.748 1.00 0.00 C ATOM 1518 CD2 LEU B 92 13.420 9.113 13.993 1.00 0.00 C ATOM 0 H LEU B 92 15.453 10.169 10.221 1.00 0.00 H new ATOM 0 HA LEU B 92 13.405 8.258 11.029 1.00 0.00 H new ATOM 0 HB2 LEU B 92 13.795 11.260 11.393 1.00 0.00 H new ATOM 0 HB3 LEU B 92 12.412 10.388 12.024 1.00 0.00 H new ATOM 0 HG LEU B 92 15.148 9.426 12.777 1.00 0.00 H new ATOM 0 HD11 LEU B 92 15.217 11.026 14.656 1.00 0.00 H new ATOM 0 HD12 LEU B 92 15.295 11.853 13.082 1.00 0.00 H new ATOM 0 HD13 LEU B 92 13.774 11.841 14.006 1.00 0.00 H new ATOM 0 HD21 LEU B 92 13.994 8.904 14.896 1.00 0.00 H new ATOM 0 HD22 LEU B 92 12.504 9.640 14.259 1.00 0.00 H new ATOM 0 HD23 LEU B 92 13.168 8.175 13.498 1.00 0.00 H new ATOM 1530 N LEU B 93 12.956 9.290 8.273 1.00 0.00 N ATOM 1531 CA LEU B 93 12.067 9.504 7.130 1.00 0.00 C ATOM 1532 C LEU B 93 11.936 8.230 6.283 1.00 0.00 C ATOM 1533 O LEU B 93 12.769 7.956 5.417 1.00 0.00 O ATOM 1534 CB LEU B 93 12.569 10.679 6.270 1.00 0.00 C ATOM 1535 CG LEU B 93 12.491 12.064 6.928 1.00 0.00 C ATOM 1536 CD1 LEU B 93 13.741 12.348 7.753 1.00 0.00 C ATOM 1537 CD2 LEU B 93 12.295 13.141 5.871 1.00 0.00 C ATOM 0 H LEU B 93 13.885 8.952 8.023 1.00 0.00 H new ATOM 0 HA LEU B 93 11.078 9.753 7.514 1.00 0.00 H new ATOM 0 HB2 LEU B 93 13.605 10.486 5.993 1.00 0.00 H new ATOM 0 HB3 LEU B 93 11.991 10.702 5.346 1.00 0.00 H new ATOM 0 HG LEU B 93 11.633 12.073 7.601 1.00 0.00 H new ATOM 0 HD11 LEU B 93 13.660 13.335 8.208 1.00 0.00 H new ATOM 0 HD12 LEU B 93 13.840 11.595 8.535 1.00 0.00 H new ATOM 0 HD13 LEU B 93 14.618 12.317 7.107 1.00 0.00 H new ATOM 0 HD21 LEU B 93 12.241 14.118 6.352 1.00 0.00 H new ATOM 0 HD22 LEU B 93 13.134 13.125 5.175 1.00 0.00 H new ATOM 0 HD23 LEU B 93 11.369 12.953 5.327 1.00 0.00 H new ATOM 1549 N GLU B 94 10.861 7.468 6.556 1.00 0.00 N ATOM 1550 CA GLU B 94 10.534 6.197 5.859 1.00 0.00 C ATOM 1551 C GLU B 94 10.331 6.441 4.342 1.00 0.00 C ATOM 1552 O GLU B 94 9.183 6.567 3.900 1.00 0.00 O ATOM 1553 CB GLU B 94 9.233 5.634 6.471 1.00 0.00 C ATOM 1554 CG GLU B 94 9.290 5.358 7.971 1.00 0.00 C ATOM 1555 CD GLU B 94 7.913 5.264 8.598 1.00 0.00 C ATOM 1556 OE1 GLU B 94 7.354 4.148 8.639 1.00 0.00 O1- ATOM 1557 OE2 GLU B 94 7.392 6.307 9.045 1.00 0.00 O ATOM 0 H GLU B 94 10.182 7.716 7.276 1.00 0.00 H new ATOM 0 HA GLU B 94 11.355 5.491 5.983 1.00 0.00 H new ATOM 0 HB2 GLU B 94 8.424 6.339 6.277 1.00 0.00 H new ATOM 0 HB3 GLU B 94 8.979 4.707 5.956 1.00 0.00 H new ATOM 0 HG2 GLU B 94 9.829 4.427 8.145 1.00 0.00 H new ATOM 0 HG3 GLU B 94 9.855 6.150 8.461 1.00 0.00 H new ATOM 1564 N VAL B 95 11.416 6.559 3.532 1.00 0.00 N ATOM 1565 CA VAL B 95 11.163 6.943 2.121 1.00 0.00 C ATOM 1566 C VAL B 95 10.707 5.833 1.097 1.00 0.00 C ATOM 1567 O VAL B 95 9.493 5.631 0.940 1.00 0.00 O ATOM 1568 CB VAL B 95 12.447 7.661 1.584 1.00 0.00 C ATOM 1569 CG1 VAL B 95 12.285 8.137 0.140 1.00 0.00 C ATOM 1570 CG2 VAL B 95 12.815 8.851 2.468 1.00 0.00 C ATOM 0 H VAL B 95 12.389 6.409 3.798 1.00 0.00 H new ATOM 0 HA VAL B 95 10.279 7.578 2.173 1.00 0.00 H new ATOM 0 HB VAL B 95 13.248 6.922 1.611 1.00 0.00 H new ATOM 0 HG11 VAL B 95 13.202 8.628 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL B 95 12.083 7.282 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL B 95 11.455 8.841 0.080 1.00 0.00 H new ATOM 0 HG21 VAL B 95 13.710 9.333 2.075 1.00 0.00 H new ATOM 0 HG22 VAL B 95 11.992 9.566 2.477 1.00 0.00 H new ATOM 0 HG23 VAL B 95 13.006 8.504 3.484 1.00 0.00 H new ATOM 1580 N PHE B 96 11.649 5.037 0.495 1.00 0.00 N ATOM 1581 CA PHE B 96 11.273 4.005 -0.485 1.00 0.00 C ATOM 1582 C PHE B 96 10.983 2.720 0.169 1.00 0.00 C ATOM 1583 O PHE B 96 9.877 2.172 0.133 1.00 0.00 O ATOM 1584 CB PHE B 96 12.292 3.763 -1.595 1.00 0.00 C ATOM 1585 CG PHE B 96 11.821 4.236 -2.947 1.00 0.00 C ATOM 1586 CD1 PHE B 96 10.948 3.460 -3.699 1.00 0.00 C ATOM 1587 CD2 PHE B 96 12.238 5.454 -3.462 1.00 0.00 C ATOM 1588 CE1 PHE B 96 10.503 3.889 -4.935 1.00 0.00 C ATOM 1589 CE2 PHE B 96 11.794 5.887 -4.699 1.00 0.00 C ATOM 1590 CZ PHE B 96 10.926 5.103 -5.434 1.00 0.00 C ATOM 0 H PHE B 96 12.650 5.101 0.678 1.00 0.00 H new ATOM 0 HA PHE B 96 10.379 4.413 -0.957 1.00 0.00 H new ATOM 0 HB2 PHE B 96 13.222 4.272 -1.343 1.00 0.00 H new ATOM 0 HB3 PHE B 96 12.516 2.698 -1.648 1.00 0.00 H new ATOM 0 HD1 PHE B 96 10.613 2.509 -3.313 1.00 0.00 H new ATOM 0 HD2 PHE B 96 12.916 6.071 -2.892 1.00 0.00 H new ATOM 0 HE1 PHE B 96 9.825 3.275 -5.509 1.00 0.00 H new ATOM 0 HE2 PHE B 96 12.126 6.838 -5.090 1.00 0.00 H new ATOM 0 HZ PHE B 96 10.579 5.441 -6.399 1.00 0.00 H new ATOM 1600 N TRP B 97 12.089 2.260 0.774 1.00 0.00 N ATOM 1601 CA TRP B 97 12.176 1.023 1.427 1.00 0.00 C ATOM 1602 C TRP B 97 11.090 0.908 2.457 1.00 0.00 C ATOM 1603 O TRP B 97 10.577 -0.169 2.586 1.00 0.00 O ATOM 1604 CB TRP B 97 13.646 0.771 1.901 1.00 0.00 C ATOM 1605 CG TRP B 97 13.908 -0.305 2.953 1.00 0.00 C ATOM 1606 CD1 TRP B 97 13.066 -1.287 3.396 1.00 0.00 C ATOM 1607 CD2 TRP B 97 15.126 -0.490 3.689 1.00 0.00 C ATOM 1608 NE1 TRP B 97 13.655 -2.013 4.395 1.00 0.00 N ATOM 1609 CE2 TRP B 97 14.921 -1.551 4.585 1.00 0.00 C ATOM 1610 CE3 TRP B 97 16.364 0.149 3.688 1.00 0.00 C ATOM 1611 CZ2 TRP B 97 15.900 -1.977 5.469 1.00 0.00 C ATOM 1612 CZ3 TRP B 97 17.340 -0.286 4.564 1.00 0.00 C ATOM 1613 CH2 TRP B 97 17.096 -1.339 5.446 1.00 0.00 C ATOM 0 H TRP B 97 12.960 2.789 0.801 1.00 0.00 H new ATOM 0 HA TRP B 97 11.977 0.191 0.752 1.00 0.00 H new ATOM 0 HB2 TRP B 97 14.238 0.522 1.020 1.00 0.00 H new ATOM 0 HB3 TRP B 97 14.033 1.713 2.290 1.00 0.00 H new ATOM 0 HD1 TRP B 97 12.073 -1.465 3.011 1.00 0.00 H new ATOM 0 HE1 TRP B 97 13.217 -2.775 4.912 1.00 0.00 H new ATOM 0 HE3 TRP B 97 16.558 0.970 3.014 1.00 0.00 H new ATOM 0 HZ2 TRP B 97 15.716 -2.791 6.154 1.00 0.00 H new ATOM 0 HZ3 TRP B 97 18.306 0.196 4.566 1.00 0.00 H new ATOM 0 HH2 TRP B 97 17.876 -1.652 6.124 1.00 0.00 H new ATOM 1624 N GLY B 98 10.719 1.997 3.172 1.00 0.00 N ATOM 1625 CA GLY B 98 9.695 1.834 4.190 1.00 0.00 C ATOM 1626 C GLY B 98 8.664 2.917 4.422 1.00 0.00 C ATOM 1627 O GLY B 98 8.291 3.095 5.582 1.00 0.00 O ATOM 0 H GLY B 98 11.096 2.938 3.063 1.00 0.00 H new ATOM 0 HA2 GLY B 98 9.152 0.918 3.957 1.00 0.00 H new ATOM 0 HA3 GLY B 98 10.207 1.669 5.138 1.00 0.00 H new ATOM 1631 N GLN B 99 8.177 3.643 3.392 1.00 0.00 N ATOM 1632 CA GLN B 99 7.082 4.612 3.622 1.00 0.00 C ATOM 1633 C GLN B 99 5.839 3.844 4.154 1.00 0.00 C ATOM 1634 O GLN B 99 4.952 3.435 3.395 1.00 0.00 O ATOM 1635 CB GLN B 99 6.760 5.391 2.338 1.00 0.00 C ATOM 1636 CG GLN B 99 6.129 6.757 2.585 1.00 0.00 C ATOM 1637 CD GLN B 99 5.841 7.506 1.299 1.00 0.00 C ATOM 1638 OE1 GLN B 99 6.681 8.259 0.804 1.00 0.00 O ATOM 1639 NE2 GLN B 99 4.648 7.306 0.751 1.00 0.00 N ATOM 0 H GLN B 99 8.508 3.583 2.429 1.00 0.00 H new ATOM 0 HA GLN B 99 7.390 5.347 4.366 1.00 0.00 H new ATOM 0 HB2 GLN B 99 7.678 5.524 1.766 1.00 0.00 H new ATOM 0 HB3 GLN B 99 6.085 4.796 1.723 1.00 0.00 H new ATOM 0 HG2 GLN B 99 5.201 6.629 3.143 1.00 0.00 H new ATOM 0 HG3 GLN B 99 6.795 7.354 3.208 1.00 0.00 H new ATOM 0 HE21 GLN B 99 3.982 6.673 1.195 1.00 0.00 H new ATOM 0 HE22 GLN B 99 4.397 7.785 -0.114 1.00 0.00 H new ATOM 1648 N ASP B 100 5.830 3.644 5.494 1.00 0.00 N ATOM 1649 CA ASP B 100 4.798 2.892 6.246 1.00 0.00 C ATOM 1650 C ASP B 100 4.849 1.379 5.910 1.00 0.00 C ATOM 1651 O ASP B 100 5.621 0.635 6.521 1.00 0.00 O ATOM 1652 CB ASP B 100 3.390 3.491 6.044 1.00 0.00 C ATOM 1653 CG ASP B 100 3.290 4.906 6.588 1.00 0.00 C ATOM 1654 OD1 ASP B 100 3.120 5.059 7.816 1.00 0.00 O1- ATOM 1655 OD2 ASP B 100 3.398 5.860 5.788 1.00 0.00 O ATOM 0 H ASP B 100 6.563 4.013 6.099 1.00 0.00 H new ATOM 0 HA ASP B 100 5.025 2.991 7.307 1.00 0.00 H new ATOM 0 HB2 ASP B 100 3.146 3.493 4.982 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.653 2.859 6.539 1.00 0.00 H new ATOM 1660 N HIS B 101 4.027 0.947 4.946 1.00 0.00 N ATOM 1661 CA HIS B 101 3.957 -0.451 4.474 1.00 0.00 C ATOM 1662 C HIS B 101 5.174 -0.845 3.629 1.00 0.00 C ATOM 1663 O HIS B 101 5.642 -1.985 3.664 1.00 0.00 O ATOM 1664 CB HIS B 101 2.667 -0.709 3.704 1.00 0.00 C ATOM 1665 CG HIS B 101 1.861 -1.808 4.314 1.00 0.00 C ATOM 1666 ND1 HIS B 101 1.805 -3.081 3.791 1.00 0.00 N ATOM 1667 CD2 HIS B 101 1.113 -1.832 5.444 1.00 0.00 C ATOM 1668 CE1 HIS B 101 1.060 -3.841 4.572 1.00 0.00 C ATOM 1669 NE2 HIS B 101 0.631 -3.104 5.582 1.00 0.00 N ATOM 0 H HIS B 101 3.378 1.566 4.460 1.00 0.00 H new ATOM 0 HA HIS B 101 3.963 -1.080 5.364 1.00 0.00 H new ATOM 0 HB2 HIS B 101 2.072 0.204 3.677 1.00 0.00 H new ATOM 0 HB3 HIS B 101 2.906 -0.965 2.672 1.00 0.00 H new ATOM 0 HD2 HIS B 101 0.932 -1.002 6.111 1.00 0.00 H new ATOM 0 HE1 HIS B 101 0.839 -4.886 4.413 1.00 0.00 H new ATOM 0 HE2 HIS B 101 0.036 -3.432 6.343 1.00 0.00 H new ATOM 1678 N LYS B 102 5.654 0.142 2.880 1.00 0.00 N ATOM 1679 CA LYS B 102 6.757 0.040 1.915 1.00 0.00 C ATOM 1680 C LYS B 102 8.019 -0.727 2.382 1.00 0.00 C ATOM 1681 O LYS B 102 8.675 -1.356 1.550 1.00 0.00 O ATOM 1682 CB LYS B 102 7.184 1.440 1.470 1.00 0.00 C ATOM 1683 CG LYS B 102 6.278 2.070 0.420 1.00 0.00 C ATOM 1684 CD LYS B 102 7.002 3.178 -0.332 1.00 0.00 C ATOM 1685 CE LYS B 102 6.036 4.116 -1.044 1.00 0.00 C ATOM 1686 NZ LYS B 102 5.451 3.498 -2.264 1.00 0.00 N1+ ATOM 0 H LYS B 102 5.269 1.085 2.928 1.00 0.00 H new ATOM 0 HA LYS B 102 6.340 -0.555 1.103 1.00 0.00 H new ATOM 0 HB2 LYS B 102 7.216 2.092 2.343 1.00 0.00 H new ATOM 0 HB3 LYS B 102 8.198 1.389 1.074 1.00 0.00 H new ATOM 0 HG2 LYS B 102 5.944 1.307 -0.283 1.00 0.00 H new ATOM 0 HG3 LYS B 102 5.386 2.474 0.899 1.00 0.00 H new ATOM 0 HD2 LYS B 102 7.613 3.750 0.367 1.00 0.00 H new ATOM 0 HD3 LYS B 102 7.681 2.736 -1.061 1.00 0.00 H new ATOM 0 HE2 LYS B 102 5.234 4.397 -0.361 1.00 0.00 H new ATOM 0 HE3 LYS B 102 6.558 5.033 -1.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 4.894 4.209 -2.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 6.215 3.146 -2.875 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 4.834 2.707 -1.991 1.00 0.00 H new ATOM 1700 N VAL B 103 8.366 -0.671 3.685 1.00 0.00 N ATOM 1701 CA VAL B 103 9.644 -1.240 4.228 1.00 0.00 C ATOM 1702 C VAL B 103 9.941 -2.634 3.696 1.00 0.00 C ATOM 1703 O VAL B 103 10.874 -2.790 2.926 1.00 0.00 O ATOM 1704 CB VAL B 103 9.696 -1.181 5.800 1.00 0.00 C ATOM 1705 CG1 VAL B 103 8.440 -1.762 6.456 1.00 0.00 C ATOM 1706 CG2 VAL B 103 10.949 -1.860 6.360 1.00 0.00 C ATOM 0 H VAL B 103 7.780 -0.235 4.397 1.00 0.00 H new ATOM 0 HA VAL B 103 10.444 -0.599 3.859 1.00 0.00 H new ATOM 0 HB VAL B 103 9.739 -0.121 6.052 1.00 0.00 H new ATOM 0 HG11 VAL B 103 8.532 -1.695 7.540 1.00 0.00 H new ATOM 0 HG12 VAL B 103 7.566 -1.199 6.130 1.00 0.00 H new ATOM 0 HG13 VAL B 103 8.328 -2.807 6.165 1.00 0.00 H new ATOM 0 HG21 VAL B 103 10.943 -1.795 7.448 1.00 0.00 H new ATOM 0 HG22 VAL B 103 10.960 -2.908 6.059 1.00 0.00 H new ATOM 0 HG23 VAL B 103 11.837 -1.361 5.972 1.00 0.00 H new ATOM 1716 N ASP B 104 9.127 -3.591 4.010 1.00 0.00 N ATOM 1717 CA ASP B 104 9.296 -4.927 3.483 1.00 0.00 C ATOM 1718 C ASP B 104 8.992 -4.942 1.978 1.00 0.00 C ATOM 1719 O ASP B 104 9.522 -5.761 1.229 1.00 0.00 O ATOM 1720 CB ASP B 104 8.567 -5.994 4.286 1.00 0.00 C ATOM 1721 CG ASP B 104 7.078 -5.733 4.479 1.00 0.00 C ATOM 1722 OD1 ASP B 104 6.731 -4.848 5.290 1.00 0.00 O1- ATOM 1723 OD2 ASP B 104 6.261 -6.414 3.821 1.00 0.00 O ATOM 0 H ASP B 104 8.328 -3.480 4.634 1.00 0.00 H new ATOM 0 HA ASP B 104 10.343 -5.208 3.599 1.00 0.00 H new ATOM 0 HB2 ASP B 104 8.693 -6.955 3.787 1.00 0.00 H new ATOM 0 HB3 ASP B 104 9.038 -6.079 5.265 1.00 0.00 H new ATOM 1728 N PHE B 105 8.103 -4.009 1.568 1.00 0.00 N ATOM 1729 CA PHE B 105 7.580 -3.940 0.202 1.00 0.00 C ATOM 1730 C PHE B 105 8.674 -3.788 -0.827 1.00 0.00 C ATOM 1731 O PHE B 105 8.562 -4.405 -1.893 1.00 0.00 O ATOM 1732 CB PHE B 105 6.541 -2.784 0.009 1.00 0.00 C ATOM 1733 CG PHE B 105 6.855 -1.893 -1.213 1.00 0.00 C ATOM 1734 CD1 PHE B 105 6.361 -2.208 -2.478 1.00 0.00 C ATOM 1735 CD2 PHE B 105 7.678 -0.769 -1.100 1.00 0.00 C ATOM 1736 CE1 PHE B 105 6.673 -1.427 -3.581 1.00 0.00 C ATOM 1737 CE2 PHE B 105 7.985 0.010 -2.200 1.00 0.00 C ATOM 1738 CZ PHE B 105 7.482 -0.319 -3.440 1.00 0.00 C ATOM 0 H PHE B 105 7.733 -3.285 2.184 1.00 0.00 H new ATOM 0 HA PHE B 105 7.076 -4.894 0.048 1.00 0.00 H new ATOM 0 HB2 PHE B 105 5.545 -3.212 -0.106 1.00 0.00 H new ATOM 0 HB3 PHE B 105 6.521 -2.167 0.907 1.00 0.00 H new ATOM 0 HD1 PHE B 105 5.726 -3.073 -2.601 1.00 0.00 H new ATOM 0 HD2 PHE B 105 8.082 -0.504 -0.134 1.00 0.00 H new ATOM 0 HE1 PHE B 105 6.281 -1.687 -4.553 1.00 0.00 H new ATOM 0 HE2 PHE B 105 8.619 0.877 -2.087 1.00 0.00 H new ATOM 0 HZ PHE B 105 7.721 0.290 -4.300 1.00 0.00 H new ATOM 1748 N ILE B 106 9.729 -2.966 -0.558 1.00 0.00 N ATOM 1749 CA ILE B 106 10.717 -2.781 -1.622 1.00 0.00 C ATOM 1750 C ILE B 106 11.184 -4.085 -2.280 1.00 0.00 C ATOM 1751 O ILE B 106 10.958 -4.253 -3.482 1.00 0.00 O ATOM 1752 CB ILE B 106 11.967 -1.899 -1.322 1.00 0.00 C ATOM 1753 CG1 ILE B 106 12.615 -2.017 0.062 1.00 0.00 C ATOM 1754 CG2 ILE B 106 11.626 -0.435 -1.611 1.00 0.00 C ATOM 1755 CD1 ILE B 106 14.095 -1.790 -0.029 1.00 0.00 C ATOM 0 H ILE B 106 9.898 -2.466 0.315 1.00 0.00 H new ATOM 0 HA ILE B 106 10.108 -2.200 -2.315 1.00 0.00 H new ATOM 0 HB ILE B 106 12.733 -2.298 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE B 106 12.171 -1.289 0.741 1.00 0.00 H new ATOM 0 HG13 ILE B 106 12.418 -3.004 0.479 1.00 0.00 H new ATOM 0 HG21 ILE B 106 12.495 0.189 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE B 106 11.343 -0.327 -2.658 1.00 0.00 H new ATOM 0 HG23 ILE B 106 10.796 -0.123 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE B 106 14.538 -1.878 0.963 1.00 0.00 H new ATOM 0 HD12 ILE B 106 14.537 -2.534 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE B 106 14.286 -0.793 -0.425 1.00 0.00 H new ATOM 1767 N LEU B 107 11.761 -5.026 -1.551 1.00 0.00 N ATOM 1768 CA LEU B 107 12.239 -6.245 -2.210 1.00 0.00 C ATOM 1769 C LEU B 107 11.125 -7.219 -2.654 1.00 0.00 C ATOM 1770 O LEU B 107 11.214 -7.793 -3.743 1.00 0.00 O ATOM 1771 CB LEU B 107 13.375 -6.923 -1.404 1.00 0.00 C ATOM 1772 CG LEU B 107 13.028 -7.914 -0.240 1.00 0.00 C ATOM 1773 CD1 LEU B 107 11.813 -7.497 0.582 1.00 0.00 C ATOM 1774 CD2 LEU B 107 12.831 -9.326 -0.782 1.00 0.00 C ATOM 0 H LEU B 107 11.909 -4.982 -0.543 1.00 0.00 H new ATOM 0 HA LEU B 107 12.673 -5.918 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU B 107 13.998 -7.465 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU B 107 13.990 -6.129 -0.981 1.00 0.00 H new ATOM 0 HG LEU B 107 13.882 -7.890 0.437 1.00 0.00 H new ATOM 0 HD11 LEU B 107 11.636 -8.231 1.368 1.00 0.00 H new ATOM 0 HD12 LEU B 107 11.996 -6.521 1.032 1.00 0.00 H new ATOM 0 HD13 LEU B 107 10.938 -7.440 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU B 107 12.591 -10.001 0.040 1.00 0.00 H new ATOM 0 HD22 LEU B 107 12.014 -9.328 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU B 107 13.747 -9.660 -1.270 1.00 0.00 H new ATOM 1786 N GLN B 108 10.096 -7.398 -1.817 1.00 0.00 N ATOM 1787 CA GLN B 108 8.991 -8.321 -2.119 1.00 0.00 C ATOM 1788 C GLN B 108 7.998 -7.738 -3.144 1.00 0.00 C ATOM 1789 O GLN B 108 6.793 -7.631 -2.881 1.00 0.00 O ATOM 1790 CB GLN B 108 8.271 -8.713 -0.821 1.00 0.00 C ATOM 1791 CG GLN B 108 8.717 -10.055 -0.259 1.00 0.00 C ATOM 1792 CD GLN B 108 8.058 -10.380 1.067 1.00 0.00 C ATOM 1793 OE1 GLN B 108 8.573 -10.034 2.131 1.00 0.00 O ATOM 1794 NE2 GLN B 108 6.911 -11.047 1.011 1.00 0.00 N ATOM 0 H GLN B 108 10.004 -6.916 -0.923 1.00 0.00 H new ATOM 0 HA GLN B 108 9.421 -9.212 -2.577 1.00 0.00 H new ATOM 0 HB2 GLN B 108 8.443 -7.940 -0.072 1.00 0.00 H new ATOM 0 HB3 GLN B 108 7.197 -8.745 -1.006 1.00 0.00 H new ATOM 0 HG2 GLN B 108 8.485 -10.841 -0.978 1.00 0.00 H new ATOM 0 HG3 GLN B 108 9.799 -10.049 -0.131 1.00 0.00 H new ATOM 0 HE21 GLN B 108 6.520 -11.314 0.108 1.00 0.00 H new ATOM 0 HE22 GLN B 108 6.421 -11.292 1.871 1.00 0.00 H new ATOM 1803 N ARG B 109 8.525 -7.362 -4.321 1.00 0.00 N ATOM 1804 CA ARG B 109 7.701 -6.816 -5.405 1.00 0.00 C ATOM 1805 C ARG B 109 8.240 -7.264 -6.779 1.00 0.00 C ATOM 1806 O ARG B 109 7.905 -8.363 -7.229 1.00 0.00 O ATOM 1807 CB ARG B 109 7.589 -5.275 -5.299 1.00 0.00 C ATOM 1808 CG ARG B 109 6.269 -4.707 -5.825 1.00 0.00 C ATOM 1809 CD ARG B 109 6.313 -4.462 -7.327 1.00 0.00 C ATOM 1810 NE ARG B 109 5.047 -3.921 -7.834 1.00 0.00 N ATOM 1811 CZ ARG B 109 4.875 -3.393 -9.055 1.00 0.00 C ATOM 1812 NH1 ARG B 109 5.884 -3.322 -9.922 1.00 0.00 N1+ ATOM 1813 NH2 ARG B 109 3.684 -2.931 -9.408 1.00 0.00 N ATOM 0 H ARG B 109 9.518 -7.427 -4.543 1.00 0.00 H new ATOM 0 HA ARG B 109 6.692 -7.216 -5.305 1.00 0.00 H new ATOM 0 HB2 ARG B 109 7.707 -4.984 -4.255 1.00 0.00 H new ATOM 0 HB3 ARG B 109 8.413 -4.823 -5.851 1.00 0.00 H new ATOM 0 HG2 ARG B 109 5.459 -5.399 -5.594 1.00 0.00 H new ATOM 0 HG3 ARG B 109 6.046 -3.772 -5.311 1.00 0.00 H new ATOM 0 HD2 ARG B 109 7.122 -3.768 -7.557 1.00 0.00 H new ATOM 0 HD3 ARG B 109 6.539 -5.397 -7.840 1.00 0.00 H new ATOM 0 HE ARG B 109 4.239 -3.948 -7.213 1.00 0.00 H new ATOM 0 HH11 ARG B 109 6.806 -3.672 -9.662 1.00 0.00 H new ATOM 0 HH12 ARG B 109 5.735 -2.917 -10.846 1.00 0.00 H new ATOM 0 HH21 ARG B 109 2.904 -2.978 -8.752 1.00 0.00 H new ATOM 0 HH22 ARG B 109 3.547 -2.528 -10.335 1.00 0.00 H new ATOM 1827 N GLU B 110 9.079 -6.429 -7.439 1.00 0.00 N ATOM 1828 CA GLU B 110 9.638 -6.762 -8.765 1.00 0.00 C ATOM 1829 C GLU B 110 10.963 -6.019 -9.080 1.00 0.00 C ATOM 1830 O GLU B 110 11.917 -6.674 -9.509 1.00 0.00 O ATOM 1831 CB GLU B 110 8.613 -6.486 -9.882 1.00 0.00 C ATOM 1832 CG GLU B 110 7.682 -7.657 -10.157 1.00 0.00 C ATOM 1833 CD GLU B 110 6.436 -7.246 -10.915 1.00 0.00 C ATOM 1834 OE1 GLU B 110 6.492 -7.181 -12.160 1.00 0.00 O1- ATOM 1835 OE2 GLU B 110 5.402 -6.989 -10.261 1.00 0.00 O ATOM 0 H GLU B 110 9.380 -5.525 -7.074 1.00 0.00 H new ATOM 0 HA GLU B 110 9.867 -7.827 -8.729 1.00 0.00 H new ATOM 0 HB2 GLU B 110 8.017 -5.615 -9.610 1.00 0.00 H new ATOM 0 HB3 GLU B 110 9.146 -6.233 -10.799 1.00 0.00 H new ATOM 0 HG2 GLU B 110 8.217 -8.415 -10.729 1.00 0.00 H new ATOM 0 HG3 GLU B 110 7.393 -8.116 -9.212 1.00 0.00 H new ATOM 1842 N PRO B 111 11.073 -4.653 -8.884 1.00 0.00 N ATOM 1843 CA PRO B 111 12.316 -3.895 -9.206 1.00 0.00 C ATOM 1844 C PRO B 111 13.564 -4.365 -8.449 1.00 0.00 C ATOM 1845 O PRO B 111 13.469 -4.918 -7.352 1.00 0.00 O ATOM 1846 CB PRO B 111 11.976 -2.454 -8.808 1.00 0.00 C ATOM 1847 CG PRO B 111 10.494 -2.391 -8.834 1.00 0.00 C ATOM 1848 CD PRO B 111 10.031 -3.735 -8.357 1.00 0.00 C ATOM 0 HA PRO B 111 12.578 -4.030 -10.255 1.00 0.00 H new ATOM 0 HB2 PRO B 111 12.364 -2.215 -7.818 1.00 0.00 H new ATOM 0 HB3 PRO B 111 12.414 -1.738 -9.503 1.00 0.00 H new ATOM 0 HG2 PRO B 111 10.123 -1.595 -8.188 1.00 0.00 H new ATOM 0 HG3 PRO B 111 10.127 -2.183 -9.839 1.00 0.00 H new ATOM 0 HD2 PRO B 111 9.968 -3.778 -7.270 1.00 0.00 H new ATOM 0 HD3 PRO B 111 9.042 -3.982 -8.744 1.00 0.00 H new ATOM 1856 N TYR B 112 14.732 -4.125 -9.070 1.00 0.00 N ATOM 1857 CA TYR B 112 16.046 -4.502 -8.519 1.00 0.00 C ATOM 1858 C TYR B 112 16.467 -3.606 -7.333 1.00 0.00 C ATOM 1859 O TYR B 112 16.941 -4.108 -6.311 1.00 0.00 O ATOM 1860 CB TYR B 112 17.099 -4.448 -9.647 1.00 0.00 C ATOM 1861 CG TYR B 112 18.515 -4.820 -9.234 1.00 0.00 C ATOM 1862 CD1 TYR B 112 18.882 -6.144 -9.014 1.00 0.00 C ATOM 1863 CD2 TYR B 112 19.482 -3.837 -9.067 1.00 0.00 C ATOM 1864 CE1 TYR B 112 20.170 -6.473 -8.637 1.00 0.00 C ATOM 1865 CE2 TYR B 112 20.771 -4.159 -8.692 1.00 0.00 C ATOM 1866 CZ TYR B 112 21.110 -5.477 -8.478 1.00 0.00 C ATOM 1867 OH TYR B 112 22.392 -5.797 -8.101 1.00 0.00 O ATOM 0 H TYR B 112 14.791 -3.660 -9.976 1.00 0.00 H new ATOM 0 HA TYR B 112 15.973 -5.516 -8.127 1.00 0.00 H new ATOM 0 HB2 TYR B 112 16.784 -5.117 -10.448 1.00 0.00 H new ATOM 0 HB3 TYR B 112 17.112 -3.440 -10.061 1.00 0.00 H new ATOM 0 HD1 TYR B 112 18.149 -6.927 -9.140 1.00 0.00 H new ATOM 0 HD2 TYR B 112 19.221 -2.802 -9.233 1.00 0.00 H new ATOM 0 HE1 TYR B 112 20.439 -7.505 -8.468 1.00 0.00 H new ATOM 0 HE2 TYR B 112 21.510 -3.381 -8.567 1.00 0.00 H new ATOM 0 HH TYR B 112 22.928 -4.979 -8.035 1.00 0.00 H new ATOM 1877 N CYS B 113 16.285 -2.285 -7.489 1.00 0.00 N ATOM 1878 CA CYS B 113 16.652 -1.287 -6.462 1.00 0.00 C ATOM 1879 C CYS B 113 15.893 -1.489 -5.140 1.00 0.00 C ATOM 1880 O CYS B 113 16.473 -1.382 -4.047 1.00 0.00 O ATOM 1881 CB CYS B 113 16.410 0.126 -6.998 1.00 0.00 C ATOM 1882 SG CYS B 113 14.681 0.489 -7.393 1.00 0.00 S ATOM 0 H CYS B 113 15.879 -1.875 -8.330 1.00 0.00 H new ATOM 0 HA CYS B 113 17.711 -1.424 -6.244 1.00 0.00 H new ATOM 0 HB2 CYS B 113 16.760 0.847 -6.259 1.00 0.00 H new ATOM 0 HB3 CYS B 113 17.013 0.270 -7.895 1.00 0.00 H new ATOM 0 HG CYS B 113 14.506 0.419 -8.679 1.00 0.00 H new ATOM 1888 N ARG B 114 14.600 -1.817 -5.250 1.00 0.00 N ATOM 1889 CA ARG B 114 13.740 -2.025 -4.098 1.00 0.00 C ATOM 1890 C ARG B 114 14.152 -3.349 -3.462 1.00 0.00 C ATOM 1891 O ARG B 114 14.246 -3.502 -2.243 1.00 0.00 O ATOM 1892 CB ARG B 114 12.254 -2.023 -4.533 1.00 0.00 C ATOM 1893 CG ARG B 114 11.802 -0.726 -5.203 1.00 0.00 C ATOM 1894 CD ARG B 114 10.288 -0.654 -5.327 1.00 0.00 C ATOM 1895 NE ARG B 114 9.849 0.581 -5.990 1.00 0.00 N ATOM 1896 CZ ARG B 114 8.662 0.746 -6.591 1.00 0.00 C ATOM 1897 NH1 ARG B 114 7.766 -0.240 -6.629 1.00 0.00 N1+ ATOM 1898 NH2 ARG B 114 8.371 1.908 -7.159 1.00 0.00 N ATOM 0 H ARG B 114 14.128 -1.944 -6.145 1.00 0.00 H new ATOM 0 HA ARG B 114 13.848 -1.222 -3.369 1.00 0.00 H new ATOM 0 HB2 ARG B 114 12.087 -2.852 -5.221 1.00 0.00 H new ATOM 0 HB3 ARG B 114 11.630 -2.204 -3.658 1.00 0.00 H new ATOM 0 HG2 ARG B 114 12.161 0.126 -4.625 1.00 0.00 H new ATOM 0 HG3 ARG B 114 12.252 -0.652 -6.193 1.00 0.00 H new ATOM 0 HD2 ARG B 114 9.929 -1.515 -5.890 1.00 0.00 H new ATOM 0 HD3 ARG B 114 9.840 -0.712 -4.335 1.00 0.00 H new ATOM 0 HE ARG B 114 10.494 1.371 -5.993 1.00 0.00 H new ATOM 0 HH11 ARG B 114 7.978 -1.139 -6.196 1.00 0.00 H new ATOM 0 HH12 ARG B 114 6.868 -0.096 -7.091 1.00 0.00 H new ATOM 0 HH21 ARG B 114 9.049 2.670 -7.137 1.00 0.00 H new ATOM 0 HH22 ARG B 114 7.470 2.040 -7.618 1.00 0.00 H new ATOM 1912 N ASP B 115 14.426 -4.292 -4.355 1.00 0.00 N ATOM 1913 CA ASP B 115 14.900 -5.624 -4.029 1.00 0.00 C ATOM 1914 C ASP B 115 16.185 -5.605 -3.202 1.00 0.00 C ATOM 1915 O ASP B 115 16.362 -6.423 -2.312 1.00 0.00 O ATOM 1916 CB ASP B 115 15.125 -6.433 -5.306 1.00 0.00 C ATOM 1917 CG ASP B 115 14.070 -7.503 -5.505 1.00 0.00 C ATOM 1918 OD1 ASP B 115 13.010 -7.193 -6.087 1.00 0.00 O ATOM 1919 OD2 ASP B 115 14.306 -8.654 -5.080 1.00 0.00 O1- ATOM 0 H ASP B 115 14.320 -4.142 -5.358 1.00 0.00 H new ATOM 0 HA ASP B 115 14.126 -6.093 -3.422 1.00 0.00 H new ATOM 0 HB2 ASP B 115 15.123 -5.761 -6.164 1.00 0.00 H new ATOM 0 HB3 ASP B 115 16.109 -6.900 -5.269 1.00 0.00 H new ATOM 1924 N ILE B 116 17.056 -4.636 -3.494 1.00 0.00 N ATOM 1925 CA ILE B 116 18.396 -4.616 -2.908 1.00 0.00 C ATOM 1926 C ILE B 116 18.417 -4.160 -1.450 1.00 0.00 C ATOM 1927 O ILE B 116 19.036 -4.795 -0.608 1.00 0.00 O ATOM 1928 CB ILE B 116 19.415 -3.812 -3.802 1.00 0.00 C ATOM 1929 CG1 ILE B 116 20.872 -4.169 -3.452 1.00 0.00 C ATOM 1930 CG2 ILE B 116 19.216 -2.299 -3.730 1.00 0.00 C ATOM 1931 CD1 ILE B 116 21.402 -5.383 -4.190 1.00 0.00 C ATOM 0 H ILE B 116 16.859 -3.861 -4.128 1.00 0.00 H new ATOM 0 HA ILE B 116 18.730 -5.653 -2.890 1.00 0.00 H new ATOM 0 HB ILE B 116 19.209 -4.115 -4.829 1.00 0.00 H new ATOM 0 HG12 ILE B 116 21.509 -3.313 -3.676 1.00 0.00 H new ATOM 0 HG13 ILE B 116 20.944 -4.348 -2.379 1.00 0.00 H new ATOM 0 HG21 ILE B 116 19.949 -1.805 -4.368 1.00 0.00 H new ATOM 0 HG22 ILE B 116 18.211 -2.048 -4.070 1.00 0.00 H new ATOM 0 HG23 ILE B 116 19.346 -1.964 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE B 116 22.433 -5.570 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE B 116 20.790 -6.252 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE B 116 21.364 -5.201 -5.264 1.00 0.00 H new ATOM 1943 N ASN B 117 17.725 -3.068 -1.165 1.00 0.00 N ATOM 1944 CA ASN B 117 17.740 -2.496 0.179 1.00 0.00 C ATOM 1945 C ASN B 117 16.947 -3.295 1.232 1.00 0.00 C ATOM 1946 O ASN B 117 17.390 -3.394 2.357 1.00 0.00 O ATOM 1947 CB ASN B 117 17.341 -1.030 0.119 1.00 0.00 C ATOM 1948 CG ASN B 117 18.073 -0.301 -0.998 1.00 0.00 C ATOM 1949 OD1 ASN B 117 17.497 -0.016 -2.046 1.00 0.00 O ATOM 1950 ND2 ASN B 117 19.351 -0.013 -0.788 1.00 0.00 N ATOM 0 H ASN B 117 17.149 -2.561 -1.837 1.00 0.00 H new ATOM 0 HA ASN B 117 18.766 -2.567 0.539 1.00 0.00 H new ATOM 0 HB2 ASN B 117 16.265 -0.950 -0.036 1.00 0.00 H new ATOM 0 HB3 ASN B 117 17.562 -0.552 1.073 1.00 0.00 H new ATOM 0 HD21 ASN B 117 19.892 0.462 -1.510 1.00 0.00 H new ATOM 0 HD22 ASN B 117 19.792 -0.267 0.096 1.00 0.00 H new ATOM 1957 N GLN B 118 15.761 -3.825 0.925 1.00 0.00 N ATOM 1958 CA GLN B 118 15.039 -4.632 1.934 1.00 0.00 C ATOM 1959 C GLN B 118 15.680 -5.999 2.064 1.00 0.00 C ATOM 1960 O GLN B 118 16.027 -6.447 3.157 1.00 0.00 O ATOM 1961 CB GLN B 118 13.572 -4.818 1.605 1.00 0.00 C ATOM 1962 CG GLN B 118 12.635 -4.589 2.776 1.00 0.00 C ATOM 1963 CD GLN B 118 12.464 -5.799 3.693 1.00 0.00 C ATOM 1964 OE1 GLN B 118 12.713 -6.944 3.312 1.00 0.00 O ATOM 1965 NE2 GLN B 118 12.015 -5.544 4.916 1.00 0.00 N ATOM 0 H GLN B 118 15.288 -3.722 0.027 1.00 0.00 H new ATOM 0 HA GLN B 118 15.105 -4.079 2.871 1.00 0.00 H new ATOM 0 HB2 GLN B 118 13.303 -4.134 0.800 1.00 0.00 H new ATOM 0 HB3 GLN B 118 13.422 -5.829 1.227 1.00 0.00 H new ATOM 0 HG2 GLN B 118 13.008 -3.751 3.366 1.00 0.00 H new ATOM 0 HG3 GLN B 118 11.657 -4.298 2.392 1.00 0.00 H new ATOM 0 HE21 GLN B 118 11.819 -4.583 5.197 1.00 0.00 H new ATOM 0 HE22 GLN B 118 11.866 -6.309 5.574 1.00 0.00 H new ATOM 1974 N LEU B 119 15.834 -6.650 0.907 1.00 0.00 N ATOM 1975 CA LEU B 119 16.429 -7.967 0.815 1.00 0.00 C ATOM 1976 C LEU B 119 17.844 -7.928 1.383 1.00 0.00 C ATOM 1977 O LEU B 119 18.116 -8.553 2.410 1.00 0.00 O ATOM 1978 CB LEU B 119 16.402 -8.397 -0.664 1.00 0.00 C ATOM 1979 CG LEU B 119 16.658 -9.893 -1.006 1.00 0.00 C ATOM 1980 CD1 LEU B 119 18.150 -10.187 -1.080 1.00 0.00 C ATOM 1981 CD2 LEU B 119 15.985 -10.843 -0.014 1.00 0.00 C ATOM 0 H LEU B 119 15.544 -6.267 0.007 1.00 0.00 H new ATOM 0 HA LEU B 119 15.872 -8.699 1.400 1.00 0.00 H new ATOM 0 HB2 LEU B 119 15.428 -8.126 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU B 119 17.146 -7.803 -1.196 1.00 0.00 H new ATOM 0 HG LEU B 119 16.210 -10.069 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU B 119 18.302 -11.239 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU B 119 18.605 -9.569 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU B 119 18.613 -9.964 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU B 119 16.195 -11.874 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU B 119 16.372 -10.657 0.988 1.00 0.00 H new ATOM 0 HD23 LEU B 119 14.908 -10.676 -0.024 1.00 0.00 H new ATOM 1993 N SER B 120 18.719 -7.134 0.755 1.00 0.00 N ATOM 1994 CA SER B 120 20.090 -7.005 1.225 1.00 0.00 C ATOM 1995 C SER B 120 20.172 -6.174 2.511 1.00 0.00 C ATOM 1996 O SER B 120 20.823 -6.609 3.460 1.00 0.00 O ATOM 1997 CB SER B 120 21.007 -6.421 0.143 1.00 0.00 C ATOM 1998 OG SER B 120 22.372 -6.514 0.518 1.00 0.00 O ATOM 0 H SER B 120 18.499 -6.579 -0.072 1.00 0.00 H new ATOM 0 HA SER B 120 20.441 -8.011 1.454 1.00 0.00 H new ATOM 0 HB2 SER B 120 20.849 -6.952 -0.796 1.00 0.00 H new ATOM 0 HB3 SER B 120 20.746 -5.377 -0.033 1.00 0.00 H new ATOM 0 HG SER B 120 22.933 -6.136 -0.191 1.00 0.00 H new ATOM 2004 N GLU B 121 19.521 -4.980 2.564 1.00 0.00 N ATOM 2005 CA GLU B 121 19.626 -4.154 3.779 1.00 0.00 C ATOM 2006 C GLU B 121 18.745 -4.655 4.941 1.00 0.00 C ATOM 2007 O GLU B 121 19.303 -5.024 5.978 1.00 0.00 O ATOM 2008 CB GLU B 121 19.440 -2.666 3.486 1.00 0.00 C ATOM 2009 CG GLU B 121 20.628 -2.046 2.762 1.00 0.00 C ATOM 2010 CD GLU B 121 20.527 -0.540 2.650 1.00 0.00 C ATOM 2011 OE1 GLU B 121 19.638 -0.058 1.919 1.00 0.00 O1- ATOM 2012 OE2 GLU B 121 21.337 0.157 3.295 1.00 0.00 O ATOM 0 H GLU B 121 18.948 -4.590 1.816 1.00 0.00 H new ATOM 0 HA GLU B 121 20.651 -4.272 4.132 1.00 0.00 H new ATOM 0 HB2 GLU B 121 18.543 -2.530 2.882 1.00 0.00 H new ATOM 0 HB3 GLU B 121 19.276 -2.135 4.424 1.00 0.00 H new ATOM 0 HG2 GLU B 121 21.545 -2.306 3.291 1.00 0.00 H new ATOM 0 HG3 GLU B 121 20.703 -2.476 1.763 1.00 0.00 H new ATOM 2019 N ALA B 122 17.378 -4.674 4.806 1.00 0.00 N ATOM 2020 CA ALA B 122 16.524 -5.180 5.917 1.00 0.00 C ATOM 2021 C ALA B 122 16.888 -6.585 6.442 1.00 0.00 C ATOM 2022 O ALA B 122 16.886 -6.788 7.659 1.00 0.00 O ATOM 2023 CB ALA B 122 15.058 -5.166 5.534 1.00 0.00 C ATOM 0 H ALA B 122 16.871 -4.360 3.978 1.00 0.00 H new ATOM 0 HA ALA B 122 16.720 -4.484 6.733 1.00 0.00 H new ATOM 0 HB1 ALA B 122 14.461 -5.541 6.365 1.00 0.00 H new ATOM 0 HB2 ALA B 122 14.753 -4.146 5.299 1.00 0.00 H new ATOM 0 HB3 ALA B 122 14.904 -5.801 4.661 1.00 0.00 H new ATOM 2029 N LEU B 123 17.208 -7.549 5.555 1.00 0.00 N ATOM 2030 CA LEU B 123 17.523 -8.922 6.005 1.00 0.00 C ATOM 2031 C LEU B 123 18.891 -9.027 6.703 1.00 0.00 C ATOM 2032 O LEU B 123 19.002 -9.676 7.746 1.00 0.00 O ATOM 2033 CB LEU B 123 17.452 -9.907 4.828 1.00 0.00 C ATOM 2034 CG LEU B 123 17.151 -11.369 5.195 1.00 0.00 C ATOM 2035 CD1 LEU B 123 15.650 -11.610 5.294 1.00 0.00 C ATOM 2036 CD2 LEU B 123 17.776 -12.310 4.175 1.00 0.00 C ATOM 0 H LEU B 123 17.255 -7.409 4.546 1.00 0.00 H new ATOM 0 HA LEU B 123 16.768 -9.185 6.745 1.00 0.00 H new ATOM 0 HB2 LEU B 123 16.685 -9.561 4.135 1.00 0.00 H new ATOM 0 HB3 LEU B 123 18.402 -9.875 4.294 1.00 0.00 H new ATOM 0 HG LEU B 123 17.590 -11.571 6.172 1.00 0.00 H new ATOM 0 HD11 LEU B 123 15.465 -12.652 5.555 1.00 0.00 H new ATOM 0 HD12 LEU B 123 15.228 -10.963 6.063 1.00 0.00 H new ATOM 0 HD13 LEU B 123 15.182 -11.387 4.335 1.00 0.00 H new ATOM 0 HD21 LEU B 123 17.554 -13.342 4.448 1.00 0.00 H new ATOM 0 HD22 LEU B 123 17.366 -12.100 3.187 1.00 0.00 H new ATOM 0 HD23 LEU B 123 18.856 -12.163 4.158 1.00 0.00 H new ATOM 2048 N LEU B 124 19.920 -8.390 6.125 1.00 0.00 N ATOM 2049 CA LEU B 124 21.284 -8.425 6.683 1.00 0.00 C ATOM 2050 C LEU B 124 21.424 -7.577 7.959 1.00 0.00 C ATOM 2051 O LEU B 124 22.077 -8.001 8.916 1.00 0.00 O ATOM 2052 CB LEU B 124 22.302 -7.962 5.631 1.00 0.00 C ATOM 2053 CG LEU B 124 23.732 -8.500 5.801 1.00 0.00 C ATOM 2054 CD1 LEU B 124 23.883 -9.864 5.137 1.00 0.00 C ATOM 2055 CD2 LEU B 124 24.740 -7.515 5.229 1.00 0.00 C ATOM 0 H LEU B 124 19.835 -7.842 5.269 1.00 0.00 H new ATOM 0 HA LEU B 124 21.486 -9.460 6.960 1.00 0.00 H new ATOM 0 HB2 LEU B 124 21.938 -8.256 4.647 1.00 0.00 H new ATOM 0 HB3 LEU B 124 22.340 -6.873 5.644 1.00 0.00 H new ATOM 0 HG LEU B 124 23.927 -8.619 6.867 1.00 0.00 H new ATOM 0 HD11 LEU B 124 24.903 -10.223 5.271 1.00 0.00 H new ATOM 0 HD12 LEU B 124 23.187 -10.569 5.592 1.00 0.00 H new ATOM 0 HD13 LEU B 124 23.666 -9.776 4.072 1.00 0.00 H new ATOM 0 HD21 LEU B 124 25.748 -7.910 5.357 1.00 0.00 H new ATOM 0 HD22 LEU B 124 24.541 -7.366 4.168 1.00 0.00 H new ATOM 0 HD23 LEU B 124 24.655 -6.562 5.752 1.00 0.00 H new ATOM 2067 N SER B 125 20.807 -6.385 7.961 1.00 0.00 N ATOM 2068 CA SER B 125 20.878 -5.457 9.102 1.00 0.00 C ATOM 2069 C SER B 125 20.085 -5.953 10.323 1.00 0.00 C ATOM 2070 O SER B 125 20.575 -5.867 11.453 1.00 0.00 O ATOM 2071 CB SER B 125 20.377 -4.070 8.680 1.00 0.00 C ATOM 2072 OG SER B 125 20.708 -3.085 9.646 1.00 0.00 O ATOM 0 H SER B 125 20.250 -6.039 7.180 1.00 0.00 H new ATOM 0 HA SER B 125 21.924 -5.400 9.403 1.00 0.00 H new ATOM 0 HB2 SER B 125 20.814 -3.800 7.719 1.00 0.00 H new ATOM 0 HB3 SER B 125 19.296 -4.098 8.542 1.00 0.00 H new ATOM 0 HG SER B 125 20.523 -2.194 9.282 1.00 0.00 H new ATOM 2078 N LEU B 126 18.867 -6.470 10.089 1.00 0.00 N ATOM 2079 CA LEU B 126 18.003 -6.970 11.171 1.00 0.00 C ATOM 2080 C LEU B 126 18.498 -8.300 11.757 1.00 0.00 C ATOM 2081 O LEU B 126 18.540 -8.460 12.981 1.00 0.00 O ATOM 2082 CB LEU B 126 16.553 -7.118 10.683 1.00 0.00 C ATOM 2083 CG LEU B 126 15.771 -5.806 10.511 1.00 0.00 C ATOM 2084 CD1 LEU B 126 14.621 -5.999 9.535 1.00 0.00 C ATOM 2085 CD2 LEU B 126 15.238 -5.305 11.850 1.00 0.00 C ATOM 0 H LEU B 126 18.458 -6.553 9.158 1.00 0.00 H new ATOM 0 HA LEU B 126 18.044 -6.229 11.969 1.00 0.00 H new ATOM 0 HB2 LEU B 126 16.562 -7.642 9.727 1.00 0.00 H new ATOM 0 HB3 LEU B 126 16.014 -7.751 11.388 1.00 0.00 H new ATOM 0 HG LEU B 126 16.456 -5.058 10.112 1.00 0.00 H new ATOM 0 HD11 LEU B 126 14.077 -5.061 9.424 1.00 0.00 H new ATOM 0 HD12 LEU B 126 15.014 -6.308 8.566 1.00 0.00 H new ATOM 0 HD13 LEU B 126 13.947 -6.767 9.914 1.00 0.00 H new ATOM 0 HD21 LEU B 126 14.689 -4.376 11.698 1.00 0.00 H new ATOM 0 HD22 LEU B 126 14.572 -6.054 12.280 1.00 0.00 H new ATOM 0 HD23 LEU B 126 16.071 -5.127 12.530 1.00 0.00 H new ATOM 2097 N ASN B 127 18.869 -9.248 10.878 1.00 0.00 N ATOM 2098 CA ASN B 127 19.353 -10.573 11.305 1.00 0.00 C ATOM 2099 C ASN B 127 20.766 -10.506 11.906 1.00 0.00 C ATOM 2100 O ASN B 127 20.956 -10.831 13.082 1.00 0.00 O ATOM 2101 CB ASN B 127 19.314 -11.563 10.132 1.00 0.00 C ATOM 2102 CG ASN B 127 17.899 -11.957 9.748 1.00 0.00 C ATOM 2103 OD1 ASN B 127 17.265 -11.309 8.915 1.00 0.00 O ATOM 2104 ND2 ASN B 127 17.398 -13.027 10.355 1.00 0.00 N ATOM 0 H ASN B 127 18.843 -9.121 9.866 1.00 0.00 H new ATOM 0 HA ASN B 127 18.683 -10.926 12.090 1.00 0.00 H new ATOM 0 HB2 ASN B 127 19.810 -11.118 9.269 1.00 0.00 H new ATOM 0 HB3 ASN B 127 19.877 -12.458 10.398 1.00 0.00 H new ATOM 0 HD21 ASN B 127 16.452 -13.341 10.137 1.00 0.00 H new ATOM 0 HD22 ASN B 127 17.959 -13.535 11.039 1.00 0.00 H new ATOM 2111 N PHE B 128 21.751 -10.083 11.092 1.00 0.00 N ATOM 2112 CA PHE B 128 23.149 -9.967 11.532 1.00 0.00 C ATOM 2113 C PHE B 128 23.354 -8.770 12.469 1.00 0.00 C ATOM 2114 O PHE B 128 23.747 -8.995 13.633 1.00 0.00 O ATOM 2115 CB PHE B 128 24.083 -9.864 10.320 1.00 0.00 C ATOM 2116 CG PHE B 128 24.277 -11.169 9.596 1.00 0.00 C ATOM 2117 CD1 PHE B 128 23.409 -11.556 8.587 1.00 0.00 C ATOM 2118 CD2 PHE B 128 25.330 -12.007 9.925 1.00 0.00 C ATOM 2119 CE1 PHE B 128 23.587 -12.754 7.920 1.00 0.00 C ATOM 2120 CE2 PHE B 128 25.513 -13.206 9.263 1.00 0.00 C ATOM 2121 CZ PHE B 128 24.641 -13.580 8.260 1.00 0.00 C ATOM 2122 OXT PHE B 128 23.109 -7.623 12.034 1.00 0.00 O1- ATOM 0 H PHE B 128 21.600 -9.815 10.120 1.00 0.00 H new ATOM 0 HA PHE B 128 23.393 -10.869 12.094 1.00 0.00 H new ATOM 0 HB2 PHE B 128 23.681 -9.128 9.624 1.00 0.00 H new ATOM 0 HB3 PHE B 128 25.053 -9.494 10.650 1.00 0.00 H new ATOM 0 HD1 PHE B 128 22.583 -10.914 8.318 1.00 0.00 H new ATOM 0 HD2 PHE B 128 26.016 -11.720 10.708 1.00 0.00 H new ATOM 0 HE1 PHE B 128 22.904 -13.043 7.135 1.00 0.00 H new ATOM 0 HE2 PHE B 128 26.338 -13.850 9.530 1.00 0.00 H new ATOM 0 HZ PHE B 128 24.783 -14.517 7.742 1.00 0.00 H new TER 2132 PHE B 128