USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 GLN : amide:sc= -0.975! K(o=0.067!,f=1.7) USER MOD Set 1.2: A 14 TYR OH : rot -100:sc= 0.563 USER MOD Set 1.3: B 58 THR OG1 : rot -43:sc= 0.478 USER MOD Set 2.1: A 58 THR OG1 : rot -33:sc= 0.559 USER MOD Set 2.2: B 8 GLN : amide:sc= -1.3! K(o=-0.25!,f=1) USER MOD Set 2.3: B 14 TYR OH : rot -100:sc= 0.489 USER MOD Set 3.1: B 1 MET CE :methyl -161:sc= 0 (180deg=-0.0578) USER MOD Set 3.2: B 2 TYR OH : rot 180:sc= -1.37 USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= 0.577 USER MOD Set 4.2: B 46 LYS NZ :NH3+ -158:sc= 1.9 (180deg=1.26) USER MOD Single : A 1 MET CE :methyl -172:sc=-0.00891 (180deg=-0.112) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 3 LYS NZ :NH3+ -171:sc= -0.0511 (180deg=-0.204) USER MOD Single : A 7 TYR OH : rot 180:sc= 0.877 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -137:sc= 1.2 (180deg=-0.0166) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 66:sc= 0.289 USER MOD Single : A 26 MET CE :methyl -159:sc= -4.65! (180deg=-6.86!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -164:sc= -0.0752 USER MOD Single : A 32 TYR OH : rot 46:sc= 0.249 USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00299) USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= -0.71 (180deg=-0.793) USER MOD Single : A 37 SER OG : rot -140:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.292 X(o=-0.29,f=0.061) USER MOD Single : A 44 SER OG : rot -110:sc= -0.582 USER MOD Single : A 46 LYS NZ :NH3+ -121:sc= 1.22 (180deg=0.155) USER MOD Single : A 48 ASN : amide:sc= -0.589 K(o=-0.59,f=-1.4) USER MOD Single : A 49 SER OG : rot 13:sc= -0.376 USER MOD Single : A 59 THR OG1 : rot -77:sc= 0.458 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 43:sc= 0.169 USER MOD Single : B 1 MET N :NH3+ -128:sc= 0.124 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -168:sc= -0.0538 (180deg=-0.218) USER MOD Single : B 7 TYR OH : rot -5:sc= -0.481 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -123:sc= 1.2 (180deg=-0.194) USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.79) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.568 USER MOD Single : B 26 MET CE :methyl -155:sc= -4.55! (180deg=-7.22!) USER MOD Single : B 28 SER OG : rot 38:sc= 0.748 USER MOD Single : B 29 SER OG : rot -164:sc= -0.0805 USER MOD Single : B 32 TYR OH : rot 40:sc= 0.102 USER MOD Single : B 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000596) USER MOD Single : B 35 LYS NZ :NH3+ 162:sc= -1.49 (180deg=-1.98) USER MOD Single : B 37 SER OG : rot -140:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0.04) USER MOD Single : B 44 SER OG : rot -110:sc= -0.622 USER MOD Single : B 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 SER OG : rot 18:sc= -0.345 USER MOD Single : B 54 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : B 60 MET CE :methyl 156:sc= -0.204 (180deg=-0.778) USER MOD Single : B 61 THR OG1 : rot 33:sc= 0.195 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.363 9.266 10.425 1.00 0.00 N ATOM 2 CA MET A 1 -11.908 8.926 9.089 1.00 0.00 C ATOM 3 C MET A 1 -11.409 7.528 8.694 1.00 0.00 C ATOM 4 O MET A 1 -12.189 6.587 8.580 1.00 0.00 O ATOM 5 CB MET A 1 -11.482 9.998 8.042 1.00 0.00 C ATOM 6 CG MET A 1 -12.164 9.878 6.670 1.00 0.00 C ATOM 7 SD MET A 1 -11.502 11.020 5.424 1.00 0.00 S ATOM 8 CE MET A 1 -11.836 12.632 6.137 1.00 0.00 C ATOM 0 H1 MET A 1 -11.694 10.212 10.705 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.689 8.565 11.121 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.324 9.260 10.388 1.00 0.00 H new ATOM 0 HA MET A 1 -12.998 8.918 9.121 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.694 10.986 8.450 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.403 9.936 7.900 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.054 8.856 6.308 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.232 10.062 6.788 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.607 13.408 5.406 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.888 12.696 6.416 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.217 12.773 7.023 1.00 0.00 H new ATOM 18 N TYR A 2 -10.087 7.417 8.505 1.00 0.00 N ATOM 19 CA TYR A 2 -9.398 6.145 8.208 1.00 0.00 C ATOM 20 C TYR A 2 -7.937 6.207 8.668 1.00 0.00 C ATOM 21 O TYR A 2 -7.454 7.261 9.106 1.00 0.00 O ATOM 22 CB TYR A 2 -9.500 5.770 6.701 1.00 0.00 C ATOM 23 CG TYR A 2 -9.389 6.937 5.709 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.266 7.775 5.679 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.403 7.186 4.787 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.174 8.812 4.777 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.312 8.220 3.890 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.196 9.027 3.883 1.00 0.00 C ATOM 29 OH TYR A 2 -9.104 10.053 2.983 1.00 0.00 O ATOM 0 H TYR A 2 -9.454 8.216 8.554 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.901 5.355 8.766 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.715 5.049 6.472 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.453 5.268 6.535 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.458 7.605 6.376 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.278 6.553 4.778 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.304 9.452 4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.114 8.401 3.190 1.00 0.00 H new ATOM 0 HH TYR A 2 -9.907 10.069 2.422 1.00 0.00 H new ATOM 39 N LYS A 3 -7.231 5.073 8.523 1.00 0.00 N ATOM 40 CA LYS A 3 -5.862 4.918 9.038 1.00 0.00 C ATOM 41 C LYS A 3 -5.115 3.767 8.339 1.00 0.00 C ATOM 42 O LYS A 3 -5.678 3.060 7.497 1.00 0.00 O ATOM 43 CB LYS A 3 -5.874 4.759 10.605 1.00 0.00 C ATOM 44 CG LYS A 3 -6.971 3.844 11.216 1.00 0.00 C ATOM 45 CD LYS A 3 -6.759 2.337 10.944 1.00 0.00 C ATOM 46 CE LYS A 3 -7.810 1.469 11.653 1.00 0.00 C ATOM 47 NZ LYS A 3 -7.754 1.611 13.130 1.00 0.00 N ATOM 0 H LYS A 3 -7.591 4.244 8.049 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.307 5.827 8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.902 4.374 10.913 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.978 5.751 11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.006 4.006 12.293 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.941 4.141 10.817 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.802 2.153 9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.763 2.045 11.278 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.804 1.745 11.301 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.656 0.424 11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.371 0.899 13.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.776 1.471 13.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.075 2.563 13.400 1.00 0.00 H new ATOM 61 N PHE A 4 -3.837 3.615 8.711 1.00 0.00 N ATOM 62 CA PHE A 4 -2.958 2.542 8.240 1.00 0.00 C ATOM 63 C PHE A 4 -2.865 1.453 9.315 1.00 0.00 C ATOM 64 O PHE A 4 -2.428 1.716 10.439 1.00 0.00 O ATOM 65 CB PHE A 4 -1.544 3.092 7.948 1.00 0.00 C ATOM 66 CG PHE A 4 -1.453 4.017 6.738 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.705 5.387 6.855 1.00 0.00 C ATOM 68 CD2 PHE A 4 -1.099 3.515 5.484 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.597 6.217 5.756 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.988 4.347 4.392 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.239 5.692 4.529 1.00 0.00 C ATOM 0 H PHE A 4 -3.377 4.251 9.363 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.372 2.126 7.322 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.191 3.631 8.827 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.867 2.251 7.796 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.986 5.800 7.812 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.909 2.458 5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.792 7.275 5.856 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.705 3.944 3.431 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.156 6.343 3.671 1.00 0.00 H new ATOM 81 N GLU A 5 -3.283 0.234 8.968 1.00 0.00 N ATOM 82 CA GLU A 5 -3.158 -0.924 9.856 1.00 0.00 C ATOM 83 C GLU A 5 -1.870 -1.691 9.527 1.00 0.00 C ATOM 84 O GLU A 5 -1.752 -2.287 8.452 1.00 0.00 O ATOM 85 CB GLU A 5 -4.388 -1.866 9.757 1.00 0.00 C ATOM 86 CG GLU A 5 -5.682 -1.293 10.367 1.00 0.00 C ATOM 87 CD GLU A 5 -6.786 -2.349 10.527 1.00 0.00 C ATOM 88 OE1 GLU A 5 -7.420 -2.712 9.520 1.00 0.00 O ATOM 89 OE2 GLU A 5 -7.022 -2.825 11.663 1.00 0.00 O ATOM 0 H GLU A 5 -3.715 0.022 8.069 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.113 -0.558 10.882 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.568 -2.099 8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.151 -2.806 10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.457 -0.859 11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.049 -0.484 9.735 1.00 0.00 H new ATOM 96 N ILE A 6 -0.916 -1.672 10.476 1.00 0.00 N ATOM 97 CA ILE A 6 0.376 -2.360 10.352 1.00 0.00 C ATOM 98 C ILE A 6 0.343 -3.575 11.259 1.00 0.00 C ATOM 99 O ILE A 6 0.162 -3.433 12.467 1.00 0.00 O ATOM 100 CB ILE A 6 1.572 -1.469 10.820 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.546 -0.096 10.101 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.924 -2.210 10.597 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.485 0.927 10.692 1.00 0.00 C ATOM 0 H ILE A 6 -1.025 -1.172 11.359 1.00 0.00 H new ATOM 0 HA ILE A 6 0.522 -2.614 9.302 1.00 0.00 H new ATOM 0 HB ILE A 6 1.471 -1.280 11.889 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.800 -0.243 9.051 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.530 0.299 10.131 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.746 -1.575 10.928 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.929 -3.138 11.169 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.045 -2.436 9.538 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.407 1.859 10.132 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.219 1.106 11.734 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.508 0.556 10.637 1.00 0.00 H new ATOM 115 N TYR A 7 0.536 -4.747 10.694 1.00 0.00 N ATOM 116 CA TYR A 7 0.583 -5.977 11.477 1.00 0.00 C ATOM 117 C TYR A 7 1.328 -7.073 10.720 1.00 0.00 C ATOM 118 O TYR A 7 1.884 -6.846 9.646 1.00 0.00 O ATOM 119 CB TYR A 7 -0.849 -6.425 11.911 1.00 0.00 C ATOM 120 CG TYR A 7 -1.787 -6.748 10.739 1.00 0.00 C ATOM 121 CD1 TYR A 7 -2.494 -5.741 10.079 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.948 -8.058 10.277 1.00 0.00 C ATOM 123 CE1 TYR A 7 -3.317 -6.035 9.016 1.00 0.00 C ATOM 124 CE2 TYR A 7 -2.773 -8.351 9.214 1.00 0.00 C ATOM 125 CZ TYR A 7 -3.450 -7.340 8.586 1.00 0.00 C ATOM 126 OH TYR A 7 -4.270 -7.636 7.524 1.00 0.00 O ATOM 0 H TYR A 7 0.664 -4.881 9.691 1.00 0.00 H new ATOM 0 HA TYR A 7 1.142 -5.781 12.392 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.765 -7.305 12.548 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.298 -5.636 12.515 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.394 -4.717 10.407 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.413 -8.859 10.765 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.859 -5.245 8.518 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.885 -9.371 8.878 1.00 0.00 H new ATOM 0 HH TYR A 7 -4.247 -8.601 7.352 1.00 0.00 H new ATOM 136 N GLN A 8 1.344 -8.259 11.325 1.00 0.00 N ATOM 137 CA GLN A 8 1.853 -9.476 10.684 1.00 0.00 C ATOM 138 C GLN A 8 0.696 -10.488 10.609 1.00 0.00 C ATOM 139 O GLN A 8 -0.179 -10.520 11.493 1.00 0.00 O ATOM 140 CB GLN A 8 3.095 -10.048 11.426 1.00 0.00 C ATOM 141 CG GLN A 8 2.814 -10.852 12.710 1.00 0.00 C ATOM 142 CD GLN A 8 4.076 -11.116 13.536 1.00 0.00 C ATOM 143 OE1 GLN A 8 4.408 -10.365 14.457 1.00 0.00 O ATOM 144 NE2 GLN A 8 4.812 -12.155 13.183 1.00 0.00 N ATOM 0 H GLN A 8 1.004 -8.406 12.275 1.00 0.00 H new ATOM 0 HA GLN A 8 2.203 -9.249 9.677 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.642 -10.689 10.734 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.754 -9.218 11.680 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.093 -10.310 13.321 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.355 -11.804 12.443 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.510 -12.757 12.417 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.682 -12.355 13.676 1.00 0.00 H new ATOM 153 N ASP A 9 0.676 -11.287 9.541 1.00 0.00 N ATOM 154 CA ASP A 9 -0.394 -12.273 9.290 1.00 0.00 C ATOM 155 C ASP A 9 0.133 -13.677 9.615 1.00 0.00 C ATOM 156 O ASP A 9 1.310 -13.819 9.974 1.00 0.00 O ATOM 157 CB ASP A 9 -0.894 -12.188 7.825 1.00 0.00 C ATOM 158 CG ASP A 9 0.181 -12.592 6.804 1.00 0.00 C ATOM 159 OD1 ASP A 9 0.960 -11.728 6.407 1.00 0.00 O ATOM 160 OD2 ASP A 9 0.257 -13.780 6.403 1.00 0.00 O ATOM 0 H ASP A 9 1.398 -11.274 8.821 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.246 -12.053 9.933 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.764 -12.834 7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.222 -11.170 7.616 1.00 0.00 H new ATOM 165 N LYS A 10 -0.743 -14.696 9.410 1.00 0.00 N ATOM 166 CA LYS A 10 -0.531 -16.124 9.781 1.00 0.00 C ATOM 167 C LYS A 10 0.875 -16.680 9.448 1.00 0.00 C ATOM 168 O LYS A 10 1.426 -17.478 10.207 1.00 0.00 O ATOM 169 CB LYS A 10 -1.620 -17.039 9.143 1.00 0.00 C ATOM 170 CG LYS A 10 -1.588 -17.179 7.590 1.00 0.00 C ATOM 171 CD LYS A 10 -2.272 -16.013 6.840 1.00 0.00 C ATOM 172 CE LYS A 10 -3.789 -15.949 7.095 1.00 0.00 C ATOM 173 NZ LYS A 10 -4.437 -14.857 6.330 1.00 0.00 N ATOM 0 H LYS A 10 -1.648 -14.542 8.966 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.615 -16.139 10.868 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.527 -18.034 9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.599 -16.656 9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.551 -17.249 7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.074 -18.113 7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.816 -15.072 7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.092 -16.120 5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.243 -16.902 6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.971 -15.803 8.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.457 -14.850 6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.023 -13.945 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.286 -15.009 5.312 1.00 0.00 H new ATOM 187 N ALA A 11 1.453 -16.223 8.324 1.00 0.00 N ATOM 188 CA ALA A 11 2.782 -16.679 7.840 1.00 0.00 C ATOM 189 C ALA A 11 3.947 -15.992 8.599 1.00 0.00 C ATOM 190 O ALA A 11 5.114 -16.140 8.208 1.00 0.00 O ATOM 191 CB ALA A 11 2.879 -16.413 6.323 1.00 0.00 C ATOM 0 H ALA A 11 1.017 -15.526 7.720 1.00 0.00 H new ATOM 0 HA ALA A 11 2.875 -17.747 8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.851 -16.744 5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.091 -16.961 5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.764 -15.346 6.133 1.00 0.00 H new ATOM 197 N GLY A 12 3.611 -15.263 9.693 1.00 0.00 N ATOM 198 CA GLY A 12 4.535 -14.366 10.393 1.00 0.00 C ATOM 199 C GLY A 12 5.028 -13.243 9.497 1.00 0.00 C ATOM 200 O GLY A 12 6.093 -12.664 9.737 1.00 0.00 O ATOM 0 H GLY A 12 2.680 -15.289 10.109 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.037 -13.942 11.265 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.387 -14.938 10.759 1.00 0.00 H new ATOM 204 N GLU A 13 4.224 -12.927 8.470 1.00 0.00 N ATOM 205 CA GLU A 13 4.638 -12.043 7.370 1.00 0.00 C ATOM 206 C GLU A 13 4.102 -10.636 7.620 1.00 0.00 C ATOM 207 O GLU A 13 2.932 -10.478 7.927 1.00 0.00 O ATOM 208 CB GLU A 13 4.112 -12.594 6.019 1.00 0.00 C ATOM 209 CG GLU A 13 4.509 -11.745 4.791 1.00 0.00 C ATOM 210 CD GLU A 13 6.032 -11.640 4.584 1.00 0.00 C ATOM 211 OE1 GLU A 13 6.626 -12.586 4.020 1.00 0.00 O ATOM 212 OE2 GLU A 13 6.648 -10.627 5.003 1.00 0.00 O ATOM 0 H GLU A 13 3.270 -13.277 8.379 1.00 0.00 H new ATOM 0 HA GLU A 13 5.726 -12.004 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.487 -13.608 5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.025 -12.660 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.058 -12.178 3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.095 -10.743 4.903 1.00 0.00 H new ATOM 219 N TYR A 14 4.944 -9.612 7.436 1.00 0.00 N ATOM 220 CA TYR A 14 4.577 -8.236 7.796 1.00 0.00 C ATOM 221 C TYR A 14 3.964 -7.535 6.583 1.00 0.00 C ATOM 222 O TYR A 14 4.513 -7.582 5.481 1.00 0.00 O ATOM 223 CB TYR A 14 5.781 -7.450 8.379 1.00 0.00 C ATOM 224 CG TYR A 14 6.091 -7.829 9.837 1.00 0.00 C ATOM 225 CD1 TYR A 14 6.907 -8.919 10.145 1.00 0.00 C ATOM 226 CD2 TYR A 14 5.540 -7.113 10.904 1.00 0.00 C ATOM 227 CE1 TYR A 14 7.171 -9.270 11.451 1.00 0.00 C ATOM 228 CE2 TYR A 14 5.803 -7.469 12.211 1.00 0.00 C ATOM 229 CZ TYR A 14 6.617 -8.545 12.479 1.00 0.00 C ATOM 230 OH TYR A 14 6.880 -8.899 13.786 1.00 0.00 O ATOM 0 H TYR A 14 5.880 -9.709 7.042 1.00 0.00 H new ATOM 0 HA TYR A 14 3.829 -8.270 8.589 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.662 -7.636 7.765 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.573 -6.382 8.323 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.340 -9.499 9.343 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.898 -6.268 10.702 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.811 -10.112 11.666 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.370 -6.903 13.023 1.00 0.00 H new ATOM 0 HH TYR A 14 6.122 -9.405 14.147 1.00 0.00 H new ATOM 240 N ARG A 15 2.804 -6.925 6.829 1.00 0.00 N ATOM 241 CA ARG A 15 1.995 -6.189 5.847 1.00 0.00 C ATOM 242 C ARG A 15 1.448 -4.922 6.518 1.00 0.00 C ATOM 243 O ARG A 15 0.984 -4.966 7.665 1.00 0.00 O ATOM 244 CB ARG A 15 0.798 -7.067 5.303 1.00 0.00 C ATOM 245 CG ARG A 15 1.003 -7.669 3.894 1.00 0.00 C ATOM 246 CD ARG A 15 2.098 -8.754 3.817 1.00 0.00 C ATOM 247 NE ARG A 15 1.587 -10.103 4.088 1.00 0.00 N ATOM 248 CZ ARG A 15 1.063 -10.938 3.175 1.00 0.00 C ATOM 249 NH1 ARG A 15 0.852 -10.548 1.928 1.00 0.00 N ATOM 250 NH2 ARG A 15 0.739 -12.166 3.535 1.00 0.00 N ATOM 0 H ARG A 15 2.381 -6.928 7.757 1.00 0.00 H new ATOM 0 HA ARG A 15 2.625 -5.931 4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.619 -7.882 6.005 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.103 -6.454 5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.060 -8.097 3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.256 -6.865 3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.552 -8.735 2.826 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.886 -8.519 4.533 1.00 0.00 H new ATOM 0 HE ARG A 15 1.634 -10.435 5.051 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.088 -9.597 1.644 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.453 -11.198 1.251 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.887 -12.471 4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.340 -12.809 2.851 1.00 0.00 H new ATOM 264 N PHE A 16 1.492 -3.796 5.797 1.00 0.00 N ATOM 265 CA PHE A 16 0.771 -2.583 6.185 1.00 0.00 C ATOM 266 C PHE A 16 -0.231 -2.246 5.081 1.00 0.00 C ATOM 267 O PHE A 16 0.097 -2.299 3.890 1.00 0.00 O ATOM 268 CB PHE A 16 1.730 -1.406 6.498 1.00 0.00 C ATOM 269 CG PHE A 16 2.680 -0.962 5.379 1.00 0.00 C ATOM 270 CD1 PHE A 16 3.923 -1.567 5.218 1.00 0.00 C ATOM 271 CD2 PHE A 16 2.357 0.103 4.533 1.00 0.00 C ATOM 272 CE1 PHE A 16 4.807 -1.132 4.255 1.00 0.00 C ATOM 273 CE2 PHE A 16 3.248 0.544 3.579 1.00 0.00 C ATOM 274 CZ PHE A 16 4.472 -0.076 3.444 1.00 0.00 C ATOM 0 H PHE A 16 2.026 -3.702 4.933 1.00 0.00 H new ATOM 0 HA PHE A 16 0.231 -2.762 7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.127 -0.547 6.790 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.332 -1.682 7.364 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.199 -2.391 5.859 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.396 0.587 4.628 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.763 -1.621 4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.988 1.374 2.938 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.171 0.271 2.697 1.00 0.00 H new ATOM 284 N ARG A 17 -1.459 -1.947 5.494 1.00 0.00 N ATOM 285 CA ARG A 17 -2.590 -1.702 4.592 1.00 0.00 C ATOM 286 C ARG A 17 -3.228 -0.354 4.947 1.00 0.00 C ATOM 287 O ARG A 17 -3.078 0.133 6.074 1.00 0.00 O ATOM 288 CB ARG A 17 -3.621 -2.876 4.719 1.00 0.00 C ATOM 289 CG ARG A 17 -4.286 -2.991 6.118 1.00 0.00 C ATOM 290 CD ARG A 17 -4.982 -4.343 6.387 1.00 0.00 C ATOM 291 NE ARG A 17 -6.321 -4.503 5.770 1.00 0.00 N ATOM 292 CZ ARG A 17 -7.110 -5.590 5.952 1.00 0.00 C ATOM 293 NH1 ARG A 17 -6.674 -6.637 6.628 1.00 0.00 N ATOM 294 NH2 ARG A 17 -8.322 -5.641 5.431 1.00 0.00 N ATOM 0 H ARG A 17 -1.705 -1.866 6.481 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.252 -1.661 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.400 -2.743 3.969 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.116 -3.815 4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.526 -2.830 6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.019 -2.192 6.225 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.336 -5.143 6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.079 -4.474 7.465 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.668 -3.752 5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.733 -6.634 7.021 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.278 -7.448 6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.675 -4.856 4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.905 -6.465 5.576 1.00 0.00 H new ATOM 308 N PHE A 18 -3.949 0.232 3.984 1.00 0.00 N ATOM 309 CA PHE A 18 -4.631 1.527 4.173 1.00 0.00 C ATOM 310 C PHE A 18 -6.129 1.290 4.044 1.00 0.00 C ATOM 311 O PHE A 18 -6.592 0.610 3.114 1.00 0.00 O ATOM 312 CB PHE A 18 -4.142 2.585 3.161 1.00 0.00 C ATOM 313 CG PHE A 18 -4.736 3.987 3.294 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.926 4.584 4.541 1.00 0.00 C ATOM 315 CD2 PHE A 18 -5.066 4.720 2.157 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.435 5.859 4.638 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.569 5.993 2.253 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.757 6.562 3.493 1.00 0.00 C ATOM 0 H PHE A 18 -4.078 -0.171 3.056 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.397 1.923 5.161 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.058 2.665 3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.355 2.219 2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.671 4.040 5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.923 4.278 1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.583 6.310 5.608 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.817 6.547 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.158 7.562 3.571 1.00 0.00 H new ATOM 328 N LYS A 19 -6.863 1.842 5.007 1.00 0.00 N ATOM 329 CA LYS A 19 -8.290 1.606 5.185 1.00 0.00 C ATOM 330 C LYS A 19 -9.117 2.762 4.613 1.00 0.00 C ATOM 331 O LYS A 19 -8.576 3.749 4.098 1.00 0.00 O ATOM 332 CB LYS A 19 -8.577 1.382 6.700 1.00 0.00 C ATOM 333 CG LYS A 19 -7.804 0.177 7.304 1.00 0.00 C ATOM 334 CD LYS A 19 -8.159 -1.156 6.585 1.00 0.00 C ATOM 335 CE LYS A 19 -9.627 -1.591 6.821 1.00 0.00 C ATOM 336 NZ LYS A 19 -9.835 -2.159 8.169 1.00 0.00 N ATOM 0 H LYS A 19 -6.472 2.480 5.700 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.585 0.713 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.313 2.286 7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.646 1.225 6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.732 0.357 7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.037 0.091 8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.985 -1.044 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.491 -1.942 6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.284 -0.732 6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.910 -2.329 6.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.434 -3.006 8.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.916 -2.417 8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.301 -1.454 8.775 1.00 0.00 H new ATOM 350 N ALA A 20 -10.439 2.620 4.737 1.00 0.00 N ATOM 351 CA ALA A 20 -11.426 3.583 4.241 1.00 0.00 C ATOM 352 C ALA A 20 -12.433 3.874 5.360 1.00 0.00 C ATOM 353 O ALA A 20 -12.510 3.109 6.327 1.00 0.00 O ATOM 354 CB ALA A 20 -12.114 3.039 2.978 1.00 0.00 C ATOM 0 H ALA A 20 -10.863 1.814 5.196 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.937 4.516 3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.845 3.765 2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.367 2.864 2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.619 2.102 3.213 1.00 0.00 H new ATOM 360 N SER A 21 -13.139 5.008 5.239 1.00 0.00 N ATOM 361 CA SER A 21 -14.153 5.489 6.206 1.00 0.00 C ATOM 362 C SER A 21 -15.148 4.407 6.725 1.00 0.00 C ATOM 363 O SER A 21 -15.511 4.423 7.906 1.00 0.00 O ATOM 364 CB SER A 21 -14.925 6.659 5.576 1.00 0.00 C ATOM 365 OG SER A 21 -14.032 7.628 5.053 1.00 0.00 O ATOM 0 H SER A 21 -13.021 5.638 4.445 1.00 0.00 H new ATOM 0 HA SER A 21 -13.599 5.801 7.092 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.572 6.288 4.781 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.571 7.119 6.324 1.00 0.00 H new ATOM 0 HG SER A 21 -14.543 8.363 4.655 1.00 0.00 H new ATOM 371 N ASN A 22 -15.569 3.463 5.856 1.00 0.00 N ATOM 372 CA ASN A 22 -16.564 2.412 6.227 1.00 0.00 C ATOM 373 C ASN A 22 -15.888 1.044 6.487 1.00 0.00 C ATOM 374 O ASN A 22 -16.558 0.009 6.534 1.00 0.00 O ATOM 375 CB ASN A 22 -17.657 2.295 5.129 1.00 0.00 C ATOM 376 CG ASN A 22 -18.392 3.611 4.868 1.00 0.00 C ATOM 377 OD1 ASN A 22 -19.414 3.910 5.491 1.00 0.00 O ATOM 378 ND2 ASN A 22 -17.865 4.417 3.956 1.00 0.00 N ATOM 0 H ASN A 22 -15.241 3.400 4.892 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.038 2.715 7.161 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.197 1.953 4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -18.380 1.535 5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.306 5.314 3.752 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.019 4.140 3.458 1.00 0.00 H new ATOM 385 N GLY A 23 -14.559 1.062 6.679 1.00 0.00 N ATOM 386 CA GLY A 23 -13.784 -0.133 7.051 1.00 0.00 C ATOM 387 C GLY A 23 -13.284 -0.967 5.872 1.00 0.00 C ATOM 388 O GLY A 23 -12.833 -2.103 6.069 1.00 0.00 O ATOM 0 H GLY A 23 -13.992 1.904 6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.926 0.179 7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.402 -0.765 7.689 1.00 0.00 H new ATOM 392 N GLU A 24 -13.371 -0.413 4.652 1.00 0.00 N ATOM 393 CA GLU A 24 -12.848 -1.067 3.430 1.00 0.00 C ATOM 394 C GLU A 24 -11.319 -0.933 3.360 1.00 0.00 C ATOM 395 O GLU A 24 -10.750 -0.058 4.003 1.00 0.00 O ATOM 396 CB GLU A 24 -13.503 -0.443 2.174 1.00 0.00 C ATOM 397 CG GLU A 24 -15.013 -0.697 2.055 1.00 0.00 C ATOM 398 CD GLU A 24 -15.370 -2.189 1.918 1.00 0.00 C ATOM 399 OE1 GLU A 24 -15.059 -2.788 0.867 1.00 0.00 O ATOM 400 OE2 GLU A 24 -15.952 -2.774 2.863 1.00 0.00 O ATOM 0 H GLU A 24 -13.802 0.495 4.480 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.097 -2.128 3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.327 0.633 2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.009 -0.839 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.513 -0.290 2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.398 -0.157 1.190 1.00 0.00 H new ATOM 407 N THR A 25 -10.658 -1.824 2.601 1.00 0.00 N ATOM 408 CA THR A 25 -9.204 -1.745 2.342 1.00 0.00 C ATOM 409 C THR A 25 -8.961 -1.621 0.837 1.00 0.00 C ATOM 410 O THR A 25 -9.621 -2.292 0.032 1.00 0.00 O ATOM 411 CB THR A 25 -8.445 -2.987 2.897 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.797 -3.177 4.261 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.915 -2.853 2.784 1.00 0.00 C ATOM 0 H THR A 25 -11.112 -2.618 2.150 1.00 0.00 H new ATOM 0 HA THR A 25 -8.819 -0.866 2.859 1.00 0.00 H new ATOM 0 HB THR A 25 -8.740 -3.844 2.292 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.745 -3.416 4.324 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.441 -3.748 3.186 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.637 -2.734 1.737 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.583 -1.982 3.349 1.00 0.00 H new ATOM 421 N MET A 26 -8.000 -0.769 0.474 1.00 0.00 N ATOM 422 CA MET A 26 -7.705 -0.418 -0.919 1.00 0.00 C ATOM 423 C MET A 26 -6.293 -0.878 -1.337 1.00 0.00 C ATOM 424 O MET A 26 -6.048 -1.077 -2.524 1.00 0.00 O ATOM 425 CB MET A 26 -7.930 1.104 -1.122 1.00 0.00 C ATOM 426 CG MET A 26 -7.420 1.983 0.028 1.00 0.00 C ATOM 427 SD MET A 26 -5.653 1.850 0.292 1.00 0.00 S ATOM 428 CE MET A 26 -5.044 2.496 -1.250 1.00 0.00 C ATOM 0 H MET A 26 -7.396 -0.297 1.147 1.00 0.00 H new ATOM 0 HA MET A 26 -8.390 -0.951 -1.578 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.436 1.411 -2.044 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.996 1.286 -1.256 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.672 3.023 -0.180 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.939 1.706 0.946 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.022 2.152 -1.411 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.677 2.147 -2.066 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.059 3.585 -1.219 1.00 0.00 H new ATOM 438 N PHE A 27 -5.357 -1.039 -0.373 1.00 0.00 N ATOM 439 CA PHE A 27 -4.072 -1.721 -0.653 1.00 0.00 C ATOM 440 C PHE A 27 -3.576 -2.479 0.563 1.00 0.00 C ATOM 441 O PHE A 27 -3.885 -2.138 1.702 1.00 0.00 O ATOM 442 CB PHE A 27 -2.943 -0.767 -1.193 1.00 0.00 C ATOM 443 CG PHE A 27 -2.017 -0.051 -0.179 1.00 0.00 C ATOM 444 CD1 PHE A 27 -2.364 1.172 0.353 1.00 0.00 C ATOM 445 CD2 PHE A 27 -0.783 -0.588 0.200 1.00 0.00 C ATOM 446 CE1 PHE A 27 -1.552 1.851 1.222 1.00 0.00 C ATOM 447 CE2 PHE A 27 0.048 0.092 1.079 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.339 1.318 1.592 1.00 0.00 C ATOM 0 H PHE A 27 -5.463 -0.713 0.588 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.292 -2.424 -1.457 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.310 -1.351 -1.861 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.423 0.001 -1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.311 1.611 0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.473 -1.544 -0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.864 2.806 1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.998 -0.336 1.363 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.305 1.851 2.276 1.00 0.00 H new ATOM 458 N SER A 28 -2.781 -3.493 0.252 1.00 0.00 N ATOM 459 CA SER A 28 -1.947 -4.229 1.177 1.00 0.00 C ATOM 460 C SER A 28 -0.549 -4.188 0.562 1.00 0.00 C ATOM 461 O SER A 28 -0.409 -4.353 -0.656 1.00 0.00 O ATOM 462 CB SER A 28 -2.460 -5.677 1.340 1.00 0.00 C ATOM 463 OG SER A 28 -1.602 -6.452 2.163 1.00 0.00 O ATOM 0 H SER A 28 -2.700 -3.839 -0.704 1.00 0.00 H new ATOM 0 HA SER A 28 -1.954 -3.799 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.461 -5.661 1.772 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.543 -6.145 0.359 1.00 0.00 H new ATOM 0 HG SER A 28 -1.960 -7.361 2.244 1.00 0.00 H new ATOM 469 N SER A 29 0.475 -3.912 1.368 1.00 0.00 N ATOM 470 CA SER A 29 1.851 -3.781 0.871 1.00 0.00 C ATOM 471 C SER A 29 2.565 -5.133 0.996 1.00 0.00 C ATOM 472 O SER A 29 1.942 -6.139 1.354 1.00 0.00 O ATOM 473 CB SER A 29 2.572 -2.673 1.667 1.00 0.00 C ATOM 474 OG SER A 29 3.892 -2.453 1.199 1.00 0.00 O ATOM 0 H SER A 29 0.380 -3.773 2.374 1.00 0.00 H new ATOM 0 HA SER A 29 1.856 -3.497 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.003 -1.746 1.594 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.603 -2.946 2.722 1.00 0.00 H new ATOM 0 HG SER A 29 4.398 -1.949 1.871 1.00 0.00 H new ATOM 480 N GLU A 30 3.860 -5.165 0.667 1.00 0.00 N ATOM 481 CA GLU A 30 4.710 -6.331 0.918 1.00 0.00 C ATOM 482 C GLU A 30 5.321 -6.241 2.340 1.00 0.00 C ATOM 483 O GLU A 30 6.009 -7.162 2.785 1.00 0.00 O ATOM 484 CB GLU A 30 5.824 -6.439 -0.154 1.00 0.00 C ATOM 485 CG GLU A 30 5.364 -6.233 -1.611 1.00 0.00 C ATOM 486 CD GLU A 30 6.444 -6.627 -2.629 1.00 0.00 C ATOM 487 OE1 GLU A 30 7.474 -5.928 -2.702 1.00 0.00 O ATOM 488 OE2 GLU A 30 6.281 -7.641 -3.343 1.00 0.00 O ATOM 0 H GLU A 30 4.346 -4.387 0.221 1.00 0.00 H new ATOM 0 HA GLU A 30 4.099 -7.231 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.595 -5.703 0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.288 -7.422 -0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.466 -6.823 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.094 -5.188 -1.759 1.00 0.00 H new ATOM 495 N GLY A 31 5.062 -5.107 3.037 1.00 0.00 N ATOM 496 CA GLY A 31 5.559 -4.859 4.402 1.00 0.00 C ATOM 497 C GLY A 31 6.887 -4.118 4.438 1.00 0.00 C ATOM 498 O GLY A 31 7.276 -3.599 5.496 1.00 0.00 O ATOM 0 H GLY A 31 4.501 -4.341 2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.815 -4.283 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.670 -5.812 4.919 1.00 0.00 H new ATOM 502 N TYR A 32 7.588 -4.141 3.281 1.00 0.00 N ATOM 503 CA TYR A 32 8.843 -3.409 3.005 1.00 0.00 C ATOM 504 C TYR A 32 10.061 -4.170 3.571 1.00 0.00 C ATOM 505 O TYR A 32 11.031 -4.423 2.845 1.00 0.00 O ATOM 506 CB TYR A 32 8.783 -1.927 3.476 1.00 0.00 C ATOM 507 CG TYR A 32 9.932 -1.048 2.957 1.00 0.00 C ATOM 508 CD1 TYR A 32 10.351 -1.122 1.621 1.00 0.00 C ATOM 509 CD2 TYR A 32 10.593 -0.146 3.790 1.00 0.00 C ATOM 510 CE1 TYR A 32 11.377 -0.334 1.145 1.00 0.00 C ATOM 511 CE2 TYR A 32 11.617 0.642 3.313 1.00 0.00 C ATOM 512 CZ TYR A 32 12.004 0.543 1.995 1.00 0.00 C ATOM 513 OH TYR A 32 13.029 1.333 1.527 1.00 0.00 O ATOM 0 H TYR A 32 7.280 -4.694 2.481 1.00 0.00 H new ATOM 0 HA TYR A 32 8.967 -3.364 1.923 1.00 0.00 H new ATOM 0 HB2 TYR A 32 7.836 -1.494 3.153 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.788 -1.904 4.566 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.859 -1.811 0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.297 -0.064 4.826 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.685 -0.406 0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 32 12.116 1.337 3.972 1.00 0.00 H new ATOM 0 HH TYR A 32 12.773 1.724 0.666 1.00 0.00 H new ATOM 523 N LYS A 33 9.983 -4.545 4.858 1.00 0.00 N ATOM 524 CA LYS A 33 10.980 -5.403 5.526 1.00 0.00 C ATOM 525 C LYS A 33 10.375 -5.986 6.812 1.00 0.00 C ATOM 526 O LYS A 33 10.370 -7.207 7.010 1.00 0.00 O ATOM 527 CB LYS A 33 12.289 -4.612 5.833 1.00 0.00 C ATOM 528 CG LYS A 33 13.376 -5.414 6.585 1.00 0.00 C ATOM 529 CD LYS A 33 13.819 -6.691 5.838 1.00 0.00 C ATOM 530 CE LYS A 33 14.801 -7.542 6.661 1.00 0.00 C ATOM 531 NZ LYS A 33 16.066 -6.819 6.967 1.00 0.00 N ATOM 0 H LYS A 33 9.220 -4.259 5.471 1.00 0.00 H new ATOM 0 HA LYS A 33 11.246 -6.221 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.708 -4.254 4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.034 -3.732 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.244 -4.775 6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.998 -5.690 7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.941 -7.289 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.287 -6.412 4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.323 -7.842 7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.032 -8.456 6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.700 -7.442 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.530 -6.540 6.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.853 -5.970 7.528 1.00 0.00 H new ATOM 545 N ALA A 34 9.865 -5.086 7.668 1.00 0.00 N ATOM 546 CA ALA A 34 9.288 -5.428 8.986 1.00 0.00 C ATOM 547 C ALA A 34 8.407 -4.261 9.448 1.00 0.00 C ATOM 548 O ALA A 34 8.190 -3.327 8.664 1.00 0.00 O ATOM 549 CB ALA A 34 10.401 -5.735 10.003 1.00 0.00 C ATOM 0 H ALA A 34 9.840 -4.087 7.465 1.00 0.00 H new ATOM 0 HA ALA A 34 8.677 -6.327 8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.955 -5.984 10.966 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.995 -6.578 9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.042 -4.861 10.115 1.00 0.00 H new ATOM 555 N LYS A 35 7.909 -4.279 10.712 1.00 0.00 N ATOM 556 CA LYS A 35 6.946 -3.263 11.178 1.00 0.00 C ATOM 557 C LYS A 35 7.597 -1.874 11.344 1.00 0.00 C ATOM 558 O LYS A 35 6.982 -0.882 11.003 1.00 0.00 O ATOM 559 CB LYS A 35 6.174 -3.725 12.460 1.00 0.00 C ATOM 560 CG LYS A 35 7.005 -4.269 13.669 1.00 0.00 C ATOM 561 CD LYS A 35 7.750 -3.193 14.507 1.00 0.00 C ATOM 562 CE LYS A 35 6.836 -2.052 14.992 1.00 0.00 C ATOM 563 NZ LYS A 35 5.689 -2.537 15.795 1.00 0.00 N ATOM 0 H LYS A 35 8.158 -4.977 11.413 1.00 0.00 H new ATOM 0 HA LYS A 35 6.198 -3.156 10.393 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.584 -2.880 12.815 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.471 -4.503 12.163 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.335 -4.819 14.330 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.738 -4.982 13.292 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.211 -3.671 15.371 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.557 -2.772 13.908 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.421 -1.352 15.589 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.462 -1.500 14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.156 -1.724 16.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.066 -3.116 15.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.039 -3.112 16.588 1.00 0.00 H new ATOM 577 N ALA A 36 8.836 -1.812 11.867 1.00 0.00 N ATOM 578 CA ALA A 36 9.582 -0.534 12.019 1.00 0.00 C ATOM 579 C ALA A 36 9.807 0.139 10.650 1.00 0.00 C ATOM 580 O ALA A 36 9.614 1.353 10.498 1.00 0.00 O ATOM 581 CB ALA A 36 10.914 -0.767 12.754 1.00 0.00 C ATOM 0 H ALA A 36 9.349 -2.631 12.194 1.00 0.00 H new ATOM 0 HA ALA A 36 8.980 0.144 12.624 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.444 0.180 12.855 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.716 -1.179 13.743 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.526 -1.467 12.185 1.00 0.00 H new ATOM 587 N SER A 37 10.178 -0.683 9.655 1.00 0.00 N ATOM 588 CA SER A 37 10.327 -0.251 8.252 1.00 0.00 C ATOM 589 C SER A 37 8.967 0.111 7.638 1.00 0.00 C ATOM 590 O SER A 37 8.902 0.911 6.702 1.00 0.00 O ATOM 591 CB SER A 37 11.002 -1.360 7.426 1.00 0.00 C ATOM 592 OG SER A 37 12.284 -1.673 7.949 1.00 0.00 O ATOM 0 H SER A 37 10.385 -1.671 9.800 1.00 0.00 H new ATOM 0 HA SER A 37 10.955 0.640 8.236 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.376 -2.252 7.428 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.097 -1.040 6.388 1.00 0.00 H new ATOM 0 HG SER A 37 12.911 -1.822 7.211 1.00 0.00 H new ATOM 598 N ALA A 38 7.892 -0.494 8.182 1.00 0.00 N ATOM 599 CA ALA A 38 6.525 -0.254 7.724 1.00 0.00 C ATOM 600 C ALA A 38 6.041 1.140 8.152 1.00 0.00 C ATOM 601 O ALA A 38 5.475 1.853 7.331 1.00 0.00 O ATOM 602 CB ALA A 38 5.579 -1.348 8.228 1.00 0.00 C ATOM 0 H ALA A 38 7.956 -1.161 8.951 1.00 0.00 H new ATOM 0 HA ALA A 38 6.522 -0.288 6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.568 -1.146 7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.909 -2.316 7.852 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.586 -1.361 9.318 1.00 0.00 H new ATOM 608 N ILE A 39 6.252 1.520 9.447 1.00 0.00 N ATOM 609 CA ILE A 39 5.994 2.895 9.942 1.00 0.00 C ATOM 610 C ILE A 39 6.734 3.931 9.071 1.00 0.00 C ATOM 611 O ILE A 39 6.108 4.855 8.558 1.00 0.00 O ATOM 612 CB ILE A 39 6.393 3.083 11.484 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.313 2.485 12.465 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.666 4.568 11.857 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.397 0.999 12.733 1.00 0.00 C ATOM 0 H ILE A 39 6.602 0.885 10.165 1.00 0.00 H new ATOM 0 HA ILE A 39 4.919 3.059 9.867 1.00 0.00 H new ATOM 0 HB ILE A 39 7.320 2.523 11.606 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.390 3.009 13.418 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.325 2.704 12.060 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.931 4.635 12.912 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.487 4.950 11.251 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.771 5.161 11.670 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.603 0.708 13.421 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.284 0.453 11.796 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.365 0.763 13.175 1.00 0.00 H new ATOM 627 N HIS A 40 8.063 3.739 8.900 1.00 0.00 N ATOM 628 CA HIS A 40 8.930 4.685 8.150 1.00 0.00 C ATOM 629 C HIS A 40 8.493 4.819 6.689 1.00 0.00 C ATOM 630 O HIS A 40 8.528 5.934 6.113 1.00 0.00 O ATOM 631 CB HIS A 40 10.428 4.282 8.260 1.00 0.00 C ATOM 632 CG HIS A 40 11.050 4.725 9.553 1.00 0.00 C ATOM 633 ND1 HIS A 40 11.824 5.861 9.660 1.00 0.00 N ATOM 634 CD2 HIS A 40 10.970 4.216 10.799 1.00 0.00 C ATOM 635 CE1 HIS A 40 12.188 6.029 10.910 1.00 0.00 C ATOM 636 NE2 HIS A 40 11.683 5.044 11.619 1.00 0.00 N ATOM 0 H HIS A 40 8.563 2.932 9.273 1.00 0.00 H new ATOM 0 HA HIS A 40 8.815 5.666 8.610 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.517 3.199 8.170 1.00 0.00 H new ATOM 0 HB3 HIS A 40 10.980 4.718 7.427 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.441 3.321 11.094 1.00 0.00 H new ATOM 0 HE1 HIS A 40 12.797 6.836 11.290 1.00 0.00 H new ATOM 0 HE2 HIS A 40 11.804 4.918 12.624 1.00 0.00 H new ATOM 645 N ALA A 41 8.035 3.697 6.105 1.00 0.00 N ATOM 646 CA ALA A 41 7.471 3.688 4.763 1.00 0.00 C ATOM 647 C ALA A 41 6.240 4.597 4.757 1.00 0.00 C ATOM 648 O ALA A 41 6.193 5.563 4.020 1.00 0.00 O ATOM 649 CB ALA A 41 7.129 2.255 4.320 1.00 0.00 C ATOM 0 H ALA A 41 8.050 2.782 6.555 1.00 0.00 H new ATOM 0 HA ALA A 41 8.199 4.065 4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.709 2.275 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.034 1.647 4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.401 1.825 5.008 1.00 0.00 H new ATOM 655 N ILE A 42 5.307 4.337 5.670 1.00 0.00 N ATOM 656 CA ILE A 42 4.078 5.135 5.815 1.00 0.00 C ATOM 657 C ILE A 42 4.382 6.617 6.138 1.00 0.00 C ATOM 658 O ILE A 42 3.581 7.497 5.816 1.00 0.00 O ATOM 659 CB ILE A 42 3.144 4.490 6.890 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.675 3.091 6.389 1.00 0.00 C ATOM 661 CG2 ILE A 42 1.928 5.384 7.233 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.026 2.239 7.439 1.00 0.00 C ATOM 0 H ILE A 42 5.376 3.566 6.335 1.00 0.00 H new ATOM 0 HA ILE A 42 3.557 5.131 4.857 1.00 0.00 H new ATOM 0 HB ILE A 42 3.716 4.382 7.811 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.973 3.230 5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.535 2.556 5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.313 4.889 7.984 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.278 6.340 7.623 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.336 5.554 6.334 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.731 1.285 7.002 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.730 2.064 8.252 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.144 2.748 7.827 1.00 0.00 H new ATOM 674 N GLU A 43 5.577 6.903 6.680 1.00 0.00 N ATOM 675 CA GLU A 43 5.970 8.280 7.016 1.00 0.00 C ATOM 676 C GLU A 43 6.228 9.080 5.735 1.00 0.00 C ATOM 677 O GLU A 43 6.045 10.294 5.735 1.00 0.00 O ATOM 678 CB GLU A 43 7.169 8.332 7.997 1.00 0.00 C ATOM 679 CG GLU A 43 6.809 7.836 9.419 1.00 0.00 C ATOM 680 CD GLU A 43 7.928 8.028 10.450 1.00 0.00 C ATOM 681 OE1 GLU A 43 8.784 7.131 10.597 1.00 0.00 O ATOM 682 OE2 GLU A 43 7.964 9.093 11.104 1.00 0.00 O ATOM 0 H GLU A 43 6.285 6.201 6.894 1.00 0.00 H new ATOM 0 HA GLU A 43 5.141 8.748 7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.982 7.724 7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.538 9.356 8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.919 8.364 9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.553 6.778 9.369 1.00 0.00 H new ATOM 689 N SER A 44 6.627 8.378 4.644 1.00 0.00 N ATOM 690 CA SER A 44 6.605 8.944 3.268 1.00 0.00 C ATOM 691 C SER A 44 5.212 9.451 2.877 1.00 0.00 C ATOM 692 O SER A 44 5.081 10.512 2.245 1.00 0.00 O ATOM 693 CB SER A 44 7.020 7.877 2.239 1.00 0.00 C ATOM 694 OG SER A 44 8.404 7.592 2.324 1.00 0.00 O ATOM 0 H SER A 44 6.968 7.418 4.689 1.00 0.00 H new ATOM 0 HA SER A 44 7.306 9.778 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.448 6.965 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.779 8.224 1.234 1.00 0.00 H new ATOM 0 HG SER A 44 8.859 7.938 1.528 1.00 0.00 H new ATOM 700 N ILE A 45 4.182 8.665 3.242 1.00 0.00 N ATOM 701 CA ILE A 45 2.812 8.937 2.815 1.00 0.00 C ATOM 702 C ILE A 45 2.314 10.215 3.508 1.00 0.00 C ATOM 703 O ILE A 45 1.655 11.064 2.895 1.00 0.00 O ATOM 704 CB ILE A 45 1.796 7.750 3.105 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.423 6.336 2.868 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.574 7.914 2.193 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.634 5.950 1.422 1.00 0.00 C ATOM 0 H ILE A 45 4.281 7.839 3.832 1.00 0.00 H new ATOM 0 HA ILE A 45 2.842 9.056 1.732 1.00 0.00 H new ATOM 0 HB ILE A 45 1.520 7.806 4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.384 6.294 3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.780 5.590 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.132 7.105 2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.093 8.871 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.891 7.883 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.073 4.953 1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.676 5.952 0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.306 6.666 0.948 1.00 0.00 H new ATOM 719 N LYS A 46 2.677 10.347 4.797 1.00 0.00 N ATOM 720 CA LYS A 46 2.248 11.461 5.668 1.00 0.00 C ATOM 721 C LYS A 46 2.776 12.827 5.209 1.00 0.00 C ATOM 722 O LYS A 46 2.258 13.868 5.626 1.00 0.00 O ATOM 723 CB LYS A 46 2.689 11.204 7.144 1.00 0.00 C ATOM 724 CG LYS A 46 2.450 9.768 7.695 1.00 0.00 C ATOM 725 CD LYS A 46 1.050 9.191 7.368 1.00 0.00 C ATOM 726 CE LYS A 46 -0.092 10.110 7.806 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.108 10.328 9.266 1.00 0.00 N ATOM 0 H LYS A 46 3.283 9.677 5.270 1.00 0.00 H new ATOM 0 HA LYS A 46 1.161 11.495 5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.752 11.430 7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.162 11.909 7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.210 9.102 7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.583 9.778 8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.977 9.016 6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.938 8.223 7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.002 11.070 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.043 9.677 7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.018 10.009 9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.665 9.789 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.018 11.341 9.467 1.00 0.00 H new ATOM 741 N ARG A 47 3.814 12.793 4.379 1.00 0.00 N ATOM 742 CA ARG A 47 4.509 14.004 3.907 1.00 0.00 C ATOM 743 C ARG A 47 3.636 14.818 2.924 1.00 0.00 C ATOM 744 O ARG A 47 3.142 15.896 3.272 1.00 0.00 O ATOM 745 CB ARG A 47 5.876 13.640 3.258 1.00 0.00 C ATOM 746 CG ARG A 47 6.828 12.843 4.177 1.00 0.00 C ATOM 747 CD ARG A 47 7.141 13.546 5.512 1.00 0.00 C ATOM 748 NE ARG A 47 7.903 12.676 6.434 1.00 0.00 N ATOM 749 CZ ARG A 47 7.893 12.760 7.780 1.00 0.00 C ATOM 750 NH1 ARG A 47 7.125 13.653 8.403 1.00 0.00 N ATOM 751 NH2 ARG A 47 8.642 11.927 8.491 1.00 0.00 N ATOM 0 H ARG A 47 4.204 11.926 4.009 1.00 0.00 H new ATOM 0 HA ARG A 47 4.697 14.633 4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.692 13.059 2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.374 14.559 2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.385 11.869 4.386 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.762 12.661 3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.711 14.455 5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.209 13.850 5.988 1.00 0.00 H new ATOM 0 HE ARG A 47 8.486 11.951 6.016 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.535 14.284 7.861 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.127 13.705 9.422 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.219 11.231 8.019 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.641 11.983 9.509 1.00 0.00 H new ATOM 765 N ASN A 48 3.423 14.269 1.713 1.00 0.00 N ATOM 766 CA ASN A 48 2.783 14.995 0.582 1.00 0.00 C ATOM 767 C ASN A 48 2.124 13.996 -0.400 1.00 0.00 C ATOM 768 O ASN A 48 1.770 14.356 -1.512 1.00 0.00 O ATOM 769 CB ASN A 48 3.832 15.922 -0.128 1.00 0.00 C ATOM 770 CG ASN A 48 3.287 16.752 -1.307 1.00 0.00 C ATOM 771 OD1 ASN A 48 3.413 16.367 -2.471 1.00 0.00 O ATOM 772 ND2 ASN A 48 2.655 17.874 -1.015 1.00 0.00 N ATOM 0 H ASN A 48 3.687 13.311 1.484 1.00 0.00 H new ATOM 0 HA ASN A 48 1.989 15.635 0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.249 16.604 0.613 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.653 15.303 -0.490 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.257 18.444 -1.761 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.564 18.170 -0.043 1.00 0.00 H new ATOM 779 N SER A 49 1.916 12.743 0.031 1.00 0.00 N ATOM 780 CA SER A 49 1.400 11.670 -0.852 1.00 0.00 C ATOM 781 C SER A 49 -0.037 11.944 -1.343 1.00 0.00 C ATOM 782 O SER A 49 -0.402 11.554 -2.456 1.00 0.00 O ATOM 783 CB SER A 49 1.463 10.331 -0.134 1.00 0.00 C ATOM 784 OG SER A 49 1.118 9.255 -0.972 1.00 0.00 O ATOM 0 H SER A 49 2.096 12.441 0.988 1.00 0.00 H new ATOM 0 HA SER A 49 2.038 11.645 -1.735 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.470 10.177 0.254 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.790 10.350 0.724 1.00 0.00 H new ATOM 0 HG SER A 49 1.107 9.557 -1.904 1.00 0.00 H new ATOM 790 N ALA A 50 -0.840 12.623 -0.503 1.00 0.00 N ATOM 791 CA ALA A 50 -2.180 13.101 -0.891 1.00 0.00 C ATOM 792 C ALA A 50 -2.109 14.149 -2.025 1.00 0.00 C ATOM 793 O ALA A 50 -3.062 14.304 -2.794 1.00 0.00 O ATOM 794 CB ALA A 50 -2.913 13.643 0.338 1.00 0.00 C ATOM 0 H ALA A 50 -0.581 12.854 0.456 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.746 12.258 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.902 13.995 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.014 12.851 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.345 14.470 0.765 1.00 0.00 H new ATOM 800 N GLY A 51 -0.965 14.854 -2.121 1.00 0.00 N ATOM 801 CA GLY A 51 -0.703 15.813 -3.203 1.00 0.00 C ATOM 802 C GLY A 51 0.341 15.329 -4.211 1.00 0.00 C ATOM 803 O GLY A 51 0.730 16.088 -5.106 1.00 0.00 O ATOM 0 H GLY A 51 -0.201 14.772 -1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.635 16.018 -3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.367 16.755 -2.769 1.00 0.00 H new ATOM 807 N ALA A 52 0.814 14.067 -4.053 1.00 0.00 N ATOM 808 CA ALA A 52 1.714 13.398 -5.024 1.00 0.00 C ATOM 809 C ALA A 52 1.060 13.241 -6.404 1.00 0.00 C ATOM 810 O ALA A 52 -0.113 13.571 -6.595 1.00 0.00 O ATOM 811 CB ALA A 52 2.152 12.021 -4.478 1.00 0.00 C ATOM 0 H ALA A 52 0.581 13.485 -3.248 1.00 0.00 H new ATOM 0 HA ALA A 52 2.591 14.033 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.812 11.538 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.680 12.155 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.273 11.397 -4.316 1.00 0.00 H new ATOM 817 N ASP A 53 1.832 12.746 -7.375 1.00 0.00 N ATOM 818 CA ASP A 53 1.316 12.443 -8.726 1.00 0.00 C ATOM 819 C ASP A 53 1.058 10.932 -8.853 1.00 0.00 C ATOM 820 O ASP A 53 1.656 10.139 -8.126 1.00 0.00 O ATOM 821 CB ASP A 53 2.303 12.932 -9.816 1.00 0.00 C ATOM 822 CG ASP A 53 2.654 14.422 -9.679 1.00 0.00 C ATOM 823 OD1 ASP A 53 1.917 15.271 -10.219 1.00 0.00 O ATOM 824 OD2 ASP A 53 3.659 14.754 -9.015 1.00 0.00 O ATOM 0 H ASP A 53 2.824 12.543 -7.256 1.00 0.00 H new ATOM 0 HA ASP A 53 0.375 12.974 -8.874 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.218 12.342 -9.762 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.867 12.755 -10.799 1.00 0.00 H new ATOM 829 N THR A 54 0.136 10.539 -9.736 1.00 0.00 N ATOM 830 CA THR A 54 -0.147 9.121 -10.028 1.00 0.00 C ATOM 831 C THR A 54 0.211 8.811 -11.496 1.00 0.00 C ATOM 832 O THR A 54 -0.455 9.283 -12.421 1.00 0.00 O ATOM 833 CB THR A 54 -1.644 8.799 -9.719 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.933 9.185 -8.356 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.982 7.304 -9.910 1.00 0.00 C ATOM 0 H THR A 54 -0.438 11.190 -10.271 1.00 0.00 H new ATOM 0 HA THR A 54 0.466 8.485 -9.390 1.00 0.00 H new ATOM 0 HB THR A 54 -2.257 9.361 -10.424 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.871 8.989 -8.152 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.035 7.137 -9.682 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.784 7.015 -10.942 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.366 6.703 -9.241 1.00 0.00 H new ATOM 843 N VAL A 55 1.308 8.059 -11.688 1.00 0.00 N ATOM 844 CA VAL A 55 1.842 7.690 -13.017 1.00 0.00 C ATOM 845 C VAL A 55 1.608 6.190 -13.273 1.00 0.00 C ATOM 846 O VAL A 55 1.972 5.360 -12.431 1.00 0.00 O ATOM 847 CB VAL A 55 3.388 7.990 -13.105 1.00 0.00 C ATOM 848 CG1 VAL A 55 3.935 7.758 -14.539 1.00 0.00 C ATOM 849 CG2 VAL A 55 3.702 9.420 -12.608 1.00 0.00 C ATOM 0 H VAL A 55 1.859 7.683 -10.916 1.00 0.00 H new ATOM 0 HA VAL A 55 1.323 8.284 -13.769 1.00 0.00 H new ATOM 0 HB VAL A 55 3.899 7.286 -12.448 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.003 7.975 -14.561 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.769 6.720 -14.828 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.417 8.416 -15.237 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.774 9.602 -12.679 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.169 10.144 -13.224 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.384 9.523 -11.570 1.00 0.00 H new ATOM 859 N ASP A 56 0.996 5.861 -14.426 1.00 0.00 N ATOM 860 CA ASP A 56 0.817 4.468 -14.880 1.00 0.00 C ATOM 861 C ASP A 56 1.771 4.182 -16.057 1.00 0.00 C ATOM 862 O ASP A 56 1.600 4.713 -17.160 1.00 0.00 O ATOM 863 CB ASP A 56 -0.653 4.203 -15.287 1.00 0.00 C ATOM 864 CG ASP A 56 -0.919 2.735 -15.684 1.00 0.00 C ATOM 865 OD1 ASP A 56 -0.639 2.349 -16.842 1.00 0.00 O ATOM 866 OD2 ASP A 56 -1.421 1.962 -14.851 1.00 0.00 O ATOM 0 H ASP A 56 0.612 6.553 -15.069 1.00 0.00 H new ATOM 0 HA ASP A 56 1.057 3.795 -14.057 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.307 4.473 -14.458 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.914 4.852 -16.123 1.00 0.00 H new ATOM 871 N LEU A 57 2.777 3.351 -15.789 1.00 0.00 N ATOM 872 CA LEU A 57 3.808 2.949 -16.758 1.00 0.00 C ATOM 873 C LEU A 57 3.336 1.789 -17.654 1.00 0.00 C ATOM 874 O LEU A 57 3.871 1.623 -18.750 1.00 0.00 O ATOM 875 CB LEU A 57 5.127 2.541 -16.024 1.00 0.00 C ATOM 876 CG LEU A 57 5.875 3.654 -15.211 1.00 0.00 C ATOM 877 CD1 LEU A 57 6.208 4.875 -16.087 1.00 0.00 C ATOM 878 CD2 LEU A 57 5.097 4.070 -13.944 1.00 0.00 C ATOM 0 H LEU A 57 2.905 2.925 -14.871 1.00 0.00 H new ATOM 0 HA LEU A 57 3.999 3.813 -17.395 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.893 1.725 -15.341 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.818 2.146 -16.768 1.00 0.00 H new ATOM 0 HG LEU A 57 6.818 3.218 -14.882 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.726 5.623 -15.487 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.848 4.566 -16.913 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.286 5.301 -16.482 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.653 4.843 -13.413 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.119 4.458 -14.229 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.969 3.204 -13.295 1.00 0.00 H new ATOM 890 N THR A 58 2.291 1.031 -17.232 1.00 0.00 N ATOM 891 CA THR A 58 1.866 -0.203 -17.945 1.00 0.00 C ATOM 892 C THR A 58 0.834 0.129 -19.062 1.00 0.00 C ATOM 893 O THR A 58 0.038 -0.721 -19.484 1.00 0.00 O ATOM 894 CB THR A 58 1.335 -1.285 -16.933 1.00 0.00 C ATOM 895 OG1 THR A 58 1.000 -2.517 -17.594 1.00 0.00 O ATOM 896 CG2 THR A 58 0.136 -0.807 -16.110 1.00 0.00 C ATOM 0 H THR A 58 1.731 1.250 -16.408 1.00 0.00 H new ATOM 0 HA THR A 58 2.736 -0.636 -18.438 1.00 0.00 H new ATOM 0 HB THR A 58 2.162 -1.459 -16.245 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.667 -2.325 -18.495 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.180 -1.601 -15.433 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.419 0.072 -15.532 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.686 -0.552 -16.779 1.00 0.00 H new ATOM 904 N THR A 59 0.894 1.380 -19.549 1.00 0.00 N ATOM 905 CA THR A 59 0.229 1.835 -20.782 1.00 0.00 C ATOM 906 C THR A 59 1.235 2.659 -21.606 1.00 0.00 C ATOM 907 O THR A 59 1.322 2.510 -22.830 1.00 0.00 O ATOM 908 CB THR A 59 -1.035 2.706 -20.486 1.00 0.00 C ATOM 909 OG1 THR A 59 -0.717 3.720 -19.513 1.00 0.00 O ATOM 910 CG2 THR A 59 -2.216 1.859 -19.990 1.00 0.00 C ATOM 0 H THR A 59 1.419 2.121 -19.085 1.00 0.00 H new ATOM 0 HA THR A 59 -0.104 0.956 -21.333 1.00 0.00 H new ATOM 0 HB THR A 59 -1.336 3.175 -21.423 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.682 3.317 -18.620 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.072 2.506 -19.797 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.481 1.124 -20.750 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.935 1.346 -19.071 1.00 0.00 H new ATOM 918 N MET A 60 1.998 3.525 -20.895 1.00 0.00 N ATOM 919 CA MET A 60 2.977 4.441 -21.509 1.00 0.00 C ATOM 920 C MET A 60 4.189 3.663 -22.053 1.00 0.00 C ATOM 921 O MET A 60 4.361 3.541 -23.273 1.00 0.00 O ATOM 922 CB MET A 60 3.420 5.514 -20.471 1.00 0.00 C ATOM 923 CG MET A 60 2.266 6.341 -19.895 1.00 0.00 C ATOM 924 SD MET A 60 2.791 7.445 -18.564 1.00 0.00 S ATOM 925 CE MET A 60 1.215 8.111 -18.026 1.00 0.00 C ATOM 0 H MET A 60 1.948 3.604 -19.879 1.00 0.00 H new ATOM 0 HA MET A 60 2.506 4.946 -22.352 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.942 5.018 -19.652 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.135 6.188 -20.943 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.814 6.931 -20.693 1.00 0.00 H new ATOM 0 HG3 MET A 60 1.495 5.668 -19.520 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.377 8.811 -17.206 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.736 8.630 -18.857 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.573 7.298 -17.688 1.00 0.00 H new ATOM 935 N THR A 61 5.012 3.118 -21.136 1.00 0.00 N ATOM 936 CA THR A 61 6.242 2.378 -21.481 1.00 0.00 C ATOM 937 C THR A 61 6.454 1.219 -20.484 1.00 0.00 C ATOM 938 O THR A 61 6.785 1.452 -19.311 1.00 0.00 O ATOM 939 CB THR A 61 7.510 3.308 -21.484 1.00 0.00 C ATOM 940 OG1 THR A 61 7.540 4.111 -20.291 1.00 0.00 O ATOM 941 CG2 THR A 61 7.584 4.227 -22.722 1.00 0.00 C ATOM 0 H THR A 61 4.842 3.179 -20.132 1.00 0.00 H new ATOM 0 HA THR A 61 6.115 1.985 -22.490 1.00 0.00 H new ATOM 0 HB THR A 61 8.376 2.648 -21.518 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.305 3.557 -19.518 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.481 4.843 -22.664 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.619 3.618 -23.625 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.704 4.869 -22.751 1.00 0.00 H new ATOM 949 N ALA A 62 6.257 -0.017 -20.980 1.00 0.00 N ATOM 950 CA ALA A 62 6.406 -1.274 -20.224 1.00 0.00 C ATOM 951 C ALA A 62 6.112 -2.453 -21.186 1.00 0.00 C ATOM 952 O ALA A 62 4.924 -2.722 -21.462 1.00 0.00 O ATOM 953 CB ALA A 62 5.491 -1.332 -18.969 1.00 0.00 C ATOM 954 OXT ALA A 62 7.059 -3.078 -21.700 1.00 0.00 O ATOM 0 H ALA A 62 5.981 -0.173 -21.949 1.00 0.00 H new ATOM 0 HA ALA A 62 7.426 -1.337 -19.846 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.643 -2.279 -18.452 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.739 -0.509 -18.299 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.448 -1.249 -19.275 1.00 0.00 H new TER 960 ALA A 62 ATOM 961 N MET B 1 8.672 16.574 -8.025 1.00 0.00 N ATOM 962 CA MET B 1 8.475 15.813 -6.766 1.00 0.00 C ATOM 963 C MET B 1 8.226 14.326 -7.103 1.00 0.00 C ATOM 964 O MET B 1 8.242 13.938 -8.275 1.00 0.00 O ATOM 965 CB MET B 1 7.310 16.449 -5.934 1.00 0.00 C ATOM 966 CG MET B 1 7.340 16.141 -4.427 1.00 0.00 C ATOM 967 SD MET B 1 6.242 17.196 -3.462 1.00 0.00 S ATOM 968 CE MET B 1 6.945 17.021 -1.818 1.00 0.00 C ATOM 0 H1 MET B 1 9.553 17.124 -7.964 1.00 0.00 H new ATOM 0 H2 MET B 1 8.731 15.912 -8.825 1.00 0.00 H new ATOM 0 H3 MET B 1 7.870 17.220 -8.169 1.00 0.00 H new ATOM 0 HA MET B 1 9.370 15.864 -6.146 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.337 17.530 -6.069 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.361 16.100 -6.341 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.061 15.099 -4.271 1.00 0.00 H new ATOM 0 HG3 MET B 1 8.360 16.257 -4.060 1.00 0.00 H new ATOM 0 HE1 MET B 1 6.208 17.322 -1.073 1.00 0.00 H new ATOM 0 HE2 MET B 1 7.225 15.981 -1.651 1.00 0.00 H new ATOM 0 HE3 MET B 1 7.829 17.653 -1.731 1.00 0.00 H new ATOM 978 N TYR B 2 8.022 13.491 -6.075 1.00 0.00 N ATOM 979 CA TYR B 2 7.777 12.046 -6.236 1.00 0.00 C ATOM 980 C TYR B 2 6.339 11.738 -6.707 1.00 0.00 C ATOM 981 O TYR B 2 5.494 12.636 -6.835 1.00 0.00 O ATOM 982 CB TYR B 2 8.098 11.309 -4.917 1.00 0.00 C ATOM 983 CG TYR B 2 7.546 11.974 -3.642 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.173 12.089 -3.406 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.408 12.484 -2.672 1.00 0.00 C ATOM 986 CE1 TYR B 2 5.687 12.675 -2.257 1.00 0.00 C ATOM 987 CE2 TYR B 2 7.923 13.062 -1.525 1.00 0.00 C ATOM 988 CZ TYR B 2 6.563 13.155 -1.319 1.00 0.00 C ATOM 989 OH TYR B 2 6.083 13.704 -0.160 1.00 0.00 O ATOM 0 H TYR B 2 8.022 13.798 -5.102 1.00 0.00 H new ATOM 0 HA TYR B 2 8.441 11.684 -7.021 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.701 10.296 -4.980 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.180 11.222 -4.822 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.478 11.710 -4.140 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.475 12.423 -2.826 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.622 12.755 -2.097 1.00 0.00 H new ATOM 0 HE2 TYR B 2 8.608 13.444 -0.783 1.00 0.00 H new ATOM 0 HH TYR B 2 6.833 13.995 0.399 1.00 0.00 H new ATOM 999 N LYS B 3 6.074 10.434 -6.913 1.00 0.00 N ATOM 1000 CA LYS B 3 4.836 9.944 -7.533 1.00 0.00 C ATOM 1001 C LYS B 3 4.638 8.437 -7.286 1.00 0.00 C ATOM 1002 O LYS B 3 5.484 7.773 -6.680 1.00 0.00 O ATOM 1003 CB LYS B 3 4.821 10.295 -9.067 1.00 0.00 C ATOM 1004 CG LYS B 3 6.165 10.141 -9.827 1.00 0.00 C ATOM 1005 CD LYS B 3 6.640 8.688 -10.004 1.00 0.00 C ATOM 1006 CE LYS B 3 8.007 8.623 -10.697 1.00 0.00 C ATOM 1007 NZ LYS B 3 8.017 9.369 -11.989 1.00 0.00 N ATOM 0 H LYS B 3 6.719 9.689 -6.651 1.00 0.00 H new ATOM 0 HA LYS B 3 3.992 10.449 -7.063 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.079 9.662 -9.554 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.483 11.325 -9.178 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.065 10.599 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS B 3 6.935 10.698 -9.293 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.702 8.203 -9.030 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.907 8.134 -10.590 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.769 9.035 -10.035 1.00 0.00 H new ATOM 0 HE3 LYS B 3 8.272 7.581 -10.878 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 8.881 9.135 -12.518 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 7.184 9.101 -12.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 7.993 10.391 -11.800 1.00 0.00 H new ATOM 1021 N PHE B 4 3.496 7.929 -7.769 1.00 0.00 N ATOM 1022 CA PHE B 4 3.132 6.513 -7.716 1.00 0.00 C ATOM 1023 C PHE B 4 3.399 5.869 -9.082 1.00 0.00 C ATOM 1024 O PHE B 4 2.825 6.289 -10.088 1.00 0.00 O ATOM 1025 CB PHE B 4 1.636 6.357 -7.361 1.00 0.00 C ATOM 1026 CG PHE B 4 1.251 6.814 -5.952 1.00 0.00 C ATOM 1027 CD1 PHE B 4 0.851 8.134 -5.691 1.00 0.00 C ATOM 1028 CD2 PHE B 4 1.262 5.909 -4.888 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.482 8.520 -4.418 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.896 6.302 -3.619 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.502 7.604 -3.390 1.00 0.00 C ATOM 0 H PHE B 4 2.785 8.508 -8.217 1.00 0.00 H new ATOM 0 HA PHE B 4 3.731 6.022 -6.950 1.00 0.00 H new ATOM 0 HB2 PHE B 4 1.047 6.922 -8.083 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.359 5.309 -7.474 1.00 0.00 H new ATOM 0 HD1 PHE B 4 0.832 8.855 -6.495 1.00 0.00 H new ATOM 0 HD2 PHE B 4 1.562 4.886 -5.063 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.178 9.539 -4.229 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.918 5.592 -2.805 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.207 7.907 -2.396 1.00 0.00 H new ATOM 1041 N GLU B 5 4.275 4.863 -9.116 1.00 0.00 N ATOM 1042 CA GLU B 5 4.550 4.093 -10.332 1.00 0.00 C ATOM 1043 C GLU B 5 3.688 2.828 -10.351 1.00 0.00 C ATOM 1044 O GLU B 5 3.890 1.923 -9.532 1.00 0.00 O ATOM 1045 CB GLU B 5 6.057 3.753 -10.461 1.00 0.00 C ATOM 1046 CG GLU B 5 6.926 4.979 -10.804 1.00 0.00 C ATOM 1047 CD GLU B 5 8.315 4.617 -11.334 1.00 0.00 C ATOM 1048 OE1 GLU B 5 8.447 4.377 -12.552 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.281 4.578 -10.548 1.00 0.00 O ATOM 0 H GLU B 5 4.813 4.559 -8.304 1.00 0.00 H new ATOM 0 HA GLU B 5 4.290 4.705 -11.196 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.407 3.318 -9.525 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.188 2.995 -11.233 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.408 5.584 -11.549 1.00 0.00 H new ATOM 0 HG3 GLU B 5 7.036 5.597 -9.913 1.00 0.00 H new ATOM 1056 N ILE B 6 2.737 2.777 -11.296 1.00 0.00 N ATOM 1057 CA ILE B 6 1.823 1.643 -11.480 1.00 0.00 C ATOM 1058 C ILE B 6 2.261 0.890 -12.722 1.00 0.00 C ATOM 1059 O ILE B 6 2.286 1.466 -13.812 1.00 0.00 O ATOM 1060 CB ILE B 6 0.347 2.102 -11.713 1.00 0.00 C ATOM 1061 CG1 ILE B 6 -0.101 3.078 -10.593 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.599 0.869 -11.818 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.391 3.804 -10.881 1.00 0.00 C ATOM 0 H ILE B 6 2.580 3.533 -11.962 1.00 0.00 H new ATOM 0 HA ILE B 6 1.858 1.033 -10.578 1.00 0.00 H new ATOM 0 HB ILE B 6 0.290 2.639 -12.660 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.212 2.519 -9.664 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.687 3.813 -10.431 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.622 1.208 -11.980 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.288 0.242 -12.653 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.550 0.293 -10.894 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.630 4.465 -10.048 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -1.282 4.393 -11.792 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.195 3.080 -11.012 1.00 0.00 H new ATOM 1075 N TYR B 7 2.585 -0.379 -12.569 1.00 0.00 N ATOM 1076 CA TYR B 7 2.952 -1.221 -13.695 1.00 0.00 C ATOM 1077 C TYR B 7 2.764 -2.693 -13.375 1.00 0.00 C ATOM 1078 O TYR B 7 2.224 -3.059 -12.333 1.00 0.00 O ATOM 1079 CB TYR B 7 4.382 -0.890 -14.228 1.00 0.00 C ATOM 1080 CG TYR B 7 5.537 -0.832 -13.212 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.819 0.346 -12.504 1.00 0.00 C ATOM 1082 CD2 TYR B 7 6.402 -1.918 -13.029 1.00 0.00 C ATOM 1083 CE1 TYR B 7 6.901 0.426 -11.654 1.00 0.00 C ATOM 1084 CE2 TYR B 7 7.494 -1.827 -12.189 1.00 0.00 C ATOM 1085 CZ TYR B 7 7.740 -0.655 -11.508 1.00 0.00 C ATOM 1086 OH TYR B 7 8.843 -0.555 -10.685 1.00 0.00 O ATOM 0 H TYR B 7 2.602 -0.855 -11.667 1.00 0.00 H new ATOM 0 HA TYR B 7 2.268 -0.995 -14.513 1.00 0.00 H new ATOM 0 HB2 TYR B 7 4.638 -1.634 -14.982 1.00 0.00 H new ATOM 0 HB3 TYR B 7 4.335 0.074 -14.735 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.177 1.205 -12.627 1.00 0.00 H new ATOM 0 HD2 TYR B 7 6.212 -2.842 -13.554 1.00 0.00 H new ATOM 0 HE1 TYR B 7 7.090 1.336 -11.103 1.00 0.00 H new ATOM 0 HE2 TYR B 7 8.154 -2.673 -12.066 1.00 0.00 H new ATOM 0 HH TYR B 7 8.922 0.364 -10.354 1.00 0.00 H new ATOM 1096 N GLN B 8 3.160 -3.527 -14.331 1.00 0.00 N ATOM 1097 CA GLN B 8 3.204 -4.979 -14.151 1.00 0.00 C ATOM 1098 C GLN B 8 4.663 -5.424 -14.328 1.00 0.00 C ATOM 1099 O GLN B 8 5.416 -4.824 -15.113 1.00 0.00 O ATOM 1100 CB GLN B 8 2.235 -5.722 -15.112 1.00 0.00 C ATOM 1101 CG GLN B 8 2.733 -5.925 -16.549 1.00 0.00 C ATOM 1102 CD GLN B 8 1.625 -6.381 -17.495 1.00 0.00 C ATOM 1103 OE1 GLN B 8 0.968 -5.568 -18.144 1.00 0.00 O ATOM 1104 NE2 GLN B 8 1.375 -7.675 -17.544 1.00 0.00 N ATOM 0 H GLN B 8 3.461 -3.217 -15.255 1.00 0.00 H new ATOM 0 HA GLN B 8 2.858 -5.240 -13.151 1.00 0.00 H new ATOM 0 HB2 GLN B 8 2.011 -6.700 -14.685 1.00 0.00 H new ATOM 0 HB3 GLN B 8 1.297 -5.168 -15.149 1.00 0.00 H new ATOM 0 HG2 GLN B 8 3.159 -4.992 -16.917 1.00 0.00 H new ATOM 0 HG3 GLN B 8 3.534 -6.664 -16.551 1.00 0.00 H new ATOM 0 HE21 GLN B 8 1.938 -8.324 -16.994 1.00 0.00 H new ATOM 0 HE22 GLN B 8 0.619 -8.026 -18.132 1.00 0.00 H new ATOM 1113 N ASP B 9 5.053 -6.458 -13.593 1.00 0.00 N ATOM 1114 CA ASP B 9 6.430 -6.974 -13.581 1.00 0.00 C ATOM 1115 C ASP B 9 6.470 -8.299 -14.357 1.00 0.00 C ATOM 1116 O ASP B 9 5.417 -8.763 -14.818 1.00 0.00 O ATOM 1117 CB ASP B 9 6.936 -7.141 -12.122 1.00 0.00 C ATOM 1118 CG ASP B 9 7.014 -5.807 -11.334 1.00 0.00 C ATOM 1119 OD1 ASP B 9 5.980 -5.356 -10.797 1.00 0.00 O ATOM 1120 OD2 ASP B 9 8.113 -5.213 -11.244 1.00 0.00 O ATOM 0 H ASP B 9 4.421 -6.972 -12.980 1.00 0.00 H new ATOM 0 HA ASP B 9 7.099 -6.265 -14.069 1.00 0.00 H new ATOM 0 HB2 ASP B 9 6.274 -7.827 -11.593 1.00 0.00 H new ATOM 0 HB3 ASP B 9 7.924 -7.601 -12.140 1.00 0.00 H new ATOM 1125 N LYS B 10 7.679 -8.900 -14.443 1.00 0.00 N ATOM 1126 CA LYS B 10 8.008 -10.098 -15.269 1.00 0.00 C ATOM 1127 C LYS B 10 6.958 -11.232 -15.216 1.00 0.00 C ATOM 1128 O LYS B 10 6.706 -11.894 -16.225 1.00 0.00 O ATOM 1129 CB LYS B 10 9.406 -10.642 -14.869 1.00 0.00 C ATOM 1130 CG LYS B 10 9.530 -11.046 -13.379 1.00 0.00 C ATOM 1131 CD LYS B 10 10.949 -11.509 -12.987 1.00 0.00 C ATOM 1132 CE LYS B 10 12.007 -10.406 -13.167 1.00 0.00 C ATOM 1133 NZ LYS B 10 13.354 -10.854 -12.746 1.00 0.00 N ATOM 0 H LYS B 10 8.486 -8.556 -13.922 1.00 0.00 H new ATOM 0 HA LYS B 10 8.007 -9.755 -16.303 1.00 0.00 H new ATOM 0 HB2 LYS B 10 9.637 -11.508 -15.489 1.00 0.00 H new ATOM 0 HB3 LYS B 10 10.156 -9.883 -15.091 1.00 0.00 H new ATOM 0 HG2 LYS B 10 9.247 -10.198 -12.755 1.00 0.00 H new ATOM 0 HG3 LYS B 10 8.823 -11.848 -13.167 1.00 0.00 H new ATOM 0 HD2 LYS B 10 10.945 -11.836 -11.947 1.00 0.00 H new ATOM 0 HD3 LYS B 10 11.225 -12.373 -13.592 1.00 0.00 H new ATOM 0 HE2 LYS B 10 12.037 -10.100 -14.213 1.00 0.00 H new ATOM 0 HE3 LYS B 10 11.719 -9.529 -12.587 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 14.036 -10.081 -12.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 13.333 -11.122 -11.741 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 13.641 -11.675 -13.317 1.00 0.00 H new ATOM 1147 N ALA B 11 6.333 -11.426 -14.043 1.00 0.00 N ATOM 1148 CA ALA B 11 5.331 -12.490 -13.820 1.00 0.00 C ATOM 1149 C ALA B 11 3.934 -12.107 -14.388 1.00 0.00 C ATOM 1150 O ALA B 11 2.942 -12.807 -14.137 1.00 0.00 O ATOM 1151 CB ALA B 11 5.237 -12.801 -12.318 1.00 0.00 C ATOM 0 H ALA B 11 6.506 -10.850 -13.219 1.00 0.00 H new ATOM 0 HA ALA B 11 5.659 -13.380 -14.358 1.00 0.00 H new ATOM 0 HB1 ALA B 11 4.498 -13.585 -12.154 1.00 0.00 H new ATOM 0 HB2 ALA B 11 6.208 -13.136 -11.954 1.00 0.00 H new ATOM 0 HB3 ALA B 11 4.938 -11.902 -11.778 1.00 0.00 H new ATOM 1157 N GLY B 12 3.878 -11.000 -15.169 1.00 0.00 N ATOM 1158 CA GLY B 12 2.625 -10.365 -15.597 1.00 0.00 C ATOM 1159 C GLY B 12 1.807 -9.870 -14.421 1.00 0.00 C ATOM 1160 O GLY B 12 0.591 -9.705 -14.526 1.00 0.00 O ATOM 0 H GLY B 12 4.711 -10.526 -15.517 1.00 0.00 H new ATOM 0 HA2 GLY B 12 2.850 -9.529 -16.259 1.00 0.00 H new ATOM 0 HA3 GLY B 12 2.036 -11.078 -16.173 1.00 0.00 H new ATOM 1164 N GLU B 13 2.498 -9.602 -13.307 1.00 0.00 N ATOM 1165 CA GLU B 13 1.864 -9.343 -12.004 1.00 0.00 C ATOM 1166 C GLU B 13 1.797 -7.837 -11.760 1.00 0.00 C ATOM 1167 O GLU B 13 2.807 -7.154 -11.909 1.00 0.00 O ATOM 1168 CB GLU B 13 2.681 -10.049 -10.890 1.00 0.00 C ATOM 1169 CG GLU B 13 2.089 -9.950 -9.474 1.00 0.00 C ATOM 1170 CD GLU B 13 0.695 -10.587 -9.344 1.00 0.00 C ATOM 1171 OE1 GLU B 13 0.608 -11.834 -9.349 1.00 0.00 O ATOM 1172 OE2 GLU B 13 -0.314 -9.851 -9.262 1.00 0.00 O ATOM 0 H GLU B 13 3.517 -9.558 -13.281 1.00 0.00 H new ATOM 0 HA GLU B 13 0.848 -9.738 -11.996 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.783 -11.103 -11.150 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.685 -9.626 -10.876 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.767 -10.433 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.028 -8.900 -9.187 1.00 0.00 H new ATOM 1179 N TYR B 14 0.636 -7.334 -11.324 1.00 0.00 N ATOM 1180 CA TYR B 14 0.412 -5.887 -11.205 1.00 0.00 C ATOM 1181 C TYR B 14 0.784 -5.423 -9.794 1.00 0.00 C ATOM 1182 O TYR B 14 0.376 -6.027 -8.798 1.00 0.00 O ATOM 1183 CB TYR B 14 -1.037 -5.489 -11.585 1.00 0.00 C ATOM 1184 CG TYR B 14 -1.274 -5.463 -13.109 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -1.679 -6.606 -13.807 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -1.070 -4.290 -13.854 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -1.874 -6.579 -15.178 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -1.267 -4.268 -15.222 1.00 0.00 C ATOM 1189 CZ TYR B 14 -1.669 -5.411 -15.877 1.00 0.00 C ATOM 1190 OH TYR B 14 -1.862 -5.383 -17.242 1.00 0.00 O ATOM 0 H TYR B 14 -0.162 -7.906 -11.048 1.00 0.00 H new ATOM 0 HA TYR B 14 1.059 -5.377 -11.919 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -1.733 -6.191 -11.126 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.258 -4.505 -11.171 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.843 -7.527 -13.267 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -0.754 -3.389 -13.349 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -2.186 -7.473 -15.698 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -1.106 -3.355 -15.777 1.00 0.00 H new ATOM 0 HH TYR B 14 -0.996 -5.453 -17.696 1.00 0.00 H new ATOM 1200 N ARG B 15 1.596 -4.366 -9.760 1.00 0.00 N ATOM 1201 CA ARG B 15 2.110 -3.726 -8.545 1.00 0.00 C ATOM 1202 C ARG B 15 2.094 -2.208 -8.742 1.00 0.00 C ATOM 1203 O ARG B 15 2.462 -1.707 -9.811 1.00 0.00 O ATOM 1204 CB ARG B 15 3.566 -4.202 -8.182 1.00 0.00 C ATOM 1205 CG ARG B 15 3.646 -5.466 -7.284 1.00 0.00 C ATOM 1206 CD ARG B 15 3.499 -6.794 -8.042 1.00 0.00 C ATOM 1207 NE ARG B 15 4.747 -7.204 -8.706 1.00 0.00 N ATOM 1208 CZ ARG B 15 5.544 -8.204 -8.302 1.00 0.00 C ATOM 1209 NH1 ARG B 15 5.233 -8.933 -7.235 1.00 0.00 N ATOM 1210 NH2 ARG B 15 6.654 -8.471 -8.957 1.00 0.00 N ATOM 0 H ARG B 15 1.928 -3.913 -10.611 1.00 0.00 H new ATOM 0 HA ARG B 15 1.466 -4.015 -7.715 1.00 0.00 H new ATOM 0 HB2 ARG B 15 4.107 -4.399 -9.107 1.00 0.00 H new ATOM 0 HB3 ARG B 15 4.083 -3.385 -7.678 1.00 0.00 H new ATOM 0 HG2 ARG B 15 4.602 -5.465 -6.760 1.00 0.00 H new ATOM 0 HG3 ARG B 15 2.866 -5.407 -6.525 1.00 0.00 H new ATOM 0 HD2 ARG B 15 3.188 -7.573 -7.346 1.00 0.00 H new ATOM 0 HD3 ARG B 15 2.709 -6.698 -8.787 1.00 0.00 H new ATOM 0 HE ARG B 15 5.028 -6.687 -9.539 1.00 0.00 H new ATOM 0 HH11 ARG B 15 4.379 -8.735 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG B 15 5.848 -9.691 -6.938 1.00 0.00 H new ATOM 0 HH21 ARG B 15 6.910 -7.917 -9.774 1.00 0.00 H new ATOM 0 HH22 ARG B 15 7.258 -9.232 -8.647 1.00 0.00 H new ATOM 1224 N PHE B 16 1.664 -1.480 -7.706 1.00 0.00 N ATOM 1225 CA PHE B 16 1.831 -0.028 -7.640 1.00 0.00 C ATOM 1226 C PHE B 16 2.695 0.301 -6.429 1.00 0.00 C ATOM 1227 O PHE B 16 2.497 -0.248 -5.337 1.00 0.00 O ATOM 1228 CB PHE B 16 0.475 0.719 -7.620 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.495 0.376 -6.485 1.00 0.00 C ATOM 1230 CD1 PHE B 16 -1.389 -0.685 -6.611 1.00 0.00 C ATOM 1231 CD2 PHE B 16 -0.557 1.149 -5.324 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -2.305 -0.963 -5.623 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -1.484 0.875 -4.342 1.00 0.00 C ATOM 1234 CZ PHE B 16 -2.357 -0.183 -4.495 1.00 0.00 C ATOM 0 H PHE B 16 1.193 -1.880 -6.895 1.00 0.00 H new ATOM 0 HA PHE B 16 2.332 0.320 -8.543 1.00 0.00 H new ATOM 0 HB2 PHE B 16 0.679 1.789 -7.579 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -0.031 0.527 -8.566 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -1.362 -1.299 -7.499 1.00 0.00 H new ATOM 0 HD2 PHE B 16 0.130 1.972 -5.194 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.984 -1.796 -5.735 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -1.527 1.487 -3.454 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.083 -0.398 -3.725 1.00 0.00 H new ATOM 1244 N ARG B 17 3.680 1.162 -6.651 1.00 0.00 N ATOM 1245 CA ARG B 17 4.674 1.545 -5.647 1.00 0.00 C ATOM 1246 C ARG B 17 4.736 3.067 -5.526 1.00 0.00 C ATOM 1247 O ARG B 17 4.332 3.784 -6.442 1.00 0.00 O ATOM 1248 CB ARG B 17 6.053 0.894 -6.001 1.00 0.00 C ATOM 1249 CG ARG B 17 6.388 0.756 -7.503 1.00 0.00 C ATOM 1250 CD ARG B 17 7.455 -0.332 -7.768 1.00 0.00 C ATOM 1251 NE ARG B 17 6.989 -1.693 -7.386 1.00 0.00 N ATOM 1252 CZ ARG B 17 7.264 -2.838 -8.057 1.00 0.00 C ATOM 1253 NH1 ARG B 17 8.028 -2.838 -9.132 1.00 0.00 N ATOM 1254 NH2 ARG B 17 6.786 -3.985 -7.617 1.00 0.00 N ATOM 0 H ARG B 17 3.816 1.624 -7.550 1.00 0.00 H new ATOM 0 HA ARG B 17 4.388 1.169 -4.665 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.839 1.484 -5.529 1.00 0.00 H new ATOM 0 HB3 ARG B 17 6.086 -0.099 -5.552 1.00 0.00 H new ATOM 0 HG2 ARG B 17 5.480 0.513 -8.055 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.746 1.713 -7.883 1.00 0.00 H new ATOM 0 HD2 ARG B 17 7.721 -0.326 -8.825 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.360 -0.092 -7.211 1.00 0.00 H new ATOM 0 HE ARG B 17 6.413 -1.771 -6.547 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.426 -1.964 -9.475 1.00 0.00 H new ATOM 0 HH12 ARG B 17 8.221 -3.712 -9.620 1.00 0.00 H new ATOM 0 HH21 ARG B 17 6.212 -4.009 -6.775 1.00 0.00 H new ATOM 0 HH22 ARG B 17 6.991 -4.849 -8.119 1.00 0.00 H new ATOM 1268 N PHE B 18 5.237 3.544 -4.379 1.00 0.00 N ATOM 1269 CA PHE B 18 5.348 4.988 -4.091 1.00 0.00 C ATOM 1270 C PHE B 18 6.826 5.324 -3.948 1.00 0.00 C ATOM 1271 O PHE B 18 7.581 4.620 -3.254 1.00 0.00 O ATOM 1272 CB PHE B 18 4.560 5.372 -2.819 1.00 0.00 C ATOM 1273 CG PHE B 18 4.551 6.848 -2.436 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.370 7.844 -3.393 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.671 7.228 -1.101 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.321 9.166 -3.023 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.624 8.550 -0.733 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.447 9.515 -1.692 1.00 0.00 C ATOM 0 H PHE B 18 5.576 2.947 -3.625 1.00 0.00 H new ATOM 0 HA PHE B 18 4.912 5.563 -4.908 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.527 5.048 -2.948 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.969 4.806 -1.982 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.267 7.575 -4.434 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.803 6.470 -0.343 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.184 9.932 -3.772 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.726 8.829 0.305 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.406 10.555 -1.404 1.00 0.00 H new ATOM 1288 N LYS B 19 7.222 6.394 -4.634 1.00 0.00 N ATOM 1289 CA LYS B 19 8.613 6.798 -4.791 1.00 0.00 C ATOM 1290 C LYS B 19 8.968 7.938 -3.828 1.00 0.00 C ATOM 1291 O LYS B 19 8.123 8.421 -3.058 1.00 0.00 O ATOM 1292 CB LYS B 19 8.857 7.207 -6.279 1.00 0.00 C ATOM 1293 CG LYS B 19 8.587 6.061 -7.286 1.00 0.00 C ATOM 1294 CD LYS B 19 9.487 4.826 -7.003 1.00 0.00 C ATOM 1295 CE LYS B 19 10.981 5.110 -7.250 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.307 5.149 -8.689 1.00 0.00 N ATOM 0 H LYS B 19 6.567 7.017 -5.106 1.00 0.00 H new ATOM 0 HA LYS B 19 9.265 5.961 -4.542 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.217 8.054 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.888 7.543 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.539 5.768 -7.232 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.766 6.418 -8.300 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.348 4.509 -5.969 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.169 3.997 -7.636 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.249 6.062 -6.792 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.581 4.341 -6.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.050 4.451 -8.896 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.457 4.924 -9.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.644 6.099 -8.943 1.00 0.00 H new ATOM 1310 N ALA B 20 10.233 8.362 -3.901 1.00 0.00 N ATOM 1311 CA ALA B 20 10.803 9.425 -3.070 1.00 0.00 C ATOM 1312 C ALA B 20 11.539 10.423 -3.975 1.00 0.00 C ATOM 1313 O ALA B 20 11.848 10.094 -5.124 1.00 0.00 O ATOM 1314 CB ALA B 20 11.738 8.825 -2.008 1.00 0.00 C ATOM 0 H ALA B 20 10.906 7.965 -4.557 1.00 0.00 H new ATOM 0 HA ALA B 20 10.010 9.954 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA B 20 12.155 9.625 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA B 20 11.176 8.139 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.547 8.284 -2.499 1.00 0.00 H new ATOM 1320 N SER B 21 11.745 11.648 -3.466 1.00 0.00 N ATOM 1321 CA SER B 21 12.429 12.758 -4.174 1.00 0.00 C ATOM 1322 C SER B 21 13.727 12.365 -4.937 1.00 0.00 C ATOM 1323 O SER B 21 13.982 12.901 -6.021 1.00 0.00 O ATOM 1324 CB SER B 21 12.725 13.882 -3.162 1.00 0.00 C ATOM 1325 OG SER B 21 11.533 14.312 -2.527 1.00 0.00 O ATOM 0 H SER B 21 11.436 11.907 -2.529 1.00 0.00 H new ATOM 0 HA SER B 21 11.743 13.087 -4.955 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.434 13.527 -2.414 1.00 0.00 H new ATOM 0 HB3 SER B 21 13.195 14.723 -3.672 1.00 0.00 H new ATOM 0 HG SER B 21 11.742 15.024 -1.887 1.00 0.00 H new ATOM 1331 N ASN B 22 14.540 11.436 -4.380 1.00 0.00 N ATOM 1332 CA ASN B 22 15.838 11.035 -4.998 1.00 0.00 C ATOM 1333 C ASN B 22 15.731 9.666 -5.718 1.00 0.00 C ATOM 1334 O ASN B 22 16.746 9.058 -6.064 1.00 0.00 O ATOM 1335 CB ASN B 22 16.979 11.055 -3.939 1.00 0.00 C ATOM 1336 CG ASN B 22 17.011 9.850 -3.001 1.00 0.00 C ATOM 1337 OD1 ASN B 22 16.348 9.827 -1.966 1.00 0.00 O ATOM 1338 ND2 ASN B 22 17.811 8.847 -3.341 1.00 0.00 N ATOM 0 H ASN B 22 14.327 10.950 -3.509 1.00 0.00 H new ATOM 0 HA ASN B 22 16.089 11.768 -5.765 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.935 11.117 -4.458 1.00 0.00 H new ATOM 0 HB3 ASN B 22 16.882 11.960 -3.340 1.00 0.00 H new ATOM 0 HD21 ASN B 22 17.888 8.029 -2.737 1.00 0.00 H new ATOM 0 HD22 ASN B 22 18.349 8.895 -4.206 1.00 0.00 H new ATOM 1345 N GLY B 23 14.486 9.222 -5.980 1.00 0.00 N ATOM 1346 CA GLY B 23 14.210 8.005 -6.765 1.00 0.00 C ATOM 1347 C GLY B 23 14.153 6.721 -5.944 1.00 0.00 C ATOM 1348 O GLY B 23 14.155 5.625 -6.521 1.00 0.00 O ATOM 0 H GLY B 23 13.645 9.697 -5.653 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.260 8.131 -7.285 1.00 0.00 H new ATOM 0 HA3 GLY B 23 14.980 7.899 -7.529 1.00 0.00 H new ATOM 1352 N GLU B 24 14.112 6.849 -4.607 1.00 0.00 N ATOM 1353 CA GLU B 24 13.965 5.690 -3.692 1.00 0.00 C ATOM 1354 C GLU B 24 12.510 5.192 -3.686 1.00 0.00 C ATOM 1355 O GLU B 24 11.604 5.935 -4.049 1.00 0.00 O ATOM 1356 CB GLU B 24 14.390 6.070 -2.251 1.00 0.00 C ATOM 1357 CG GLU B 24 15.847 6.512 -2.085 1.00 0.00 C ATOM 1358 CD GLU B 24 16.877 5.431 -2.459 1.00 0.00 C ATOM 1359 OE1 GLU B 24 17.058 4.473 -1.677 1.00 0.00 O ATOM 1360 OE2 GLU B 24 17.517 5.533 -3.526 1.00 0.00 O ATOM 0 H GLU B 24 14.179 7.747 -4.128 1.00 0.00 H new ATOM 0 HA GLU B 24 14.615 4.893 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU B 24 13.743 6.874 -1.901 1.00 0.00 H new ATOM 0 HB3 GLU B 24 14.213 5.213 -1.601 1.00 0.00 H new ATOM 0 HG2 GLU B 24 16.021 7.394 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU B 24 16.009 6.811 -1.049 1.00 0.00 H new ATOM 1367 N THR B 25 12.297 3.926 -3.289 1.00 0.00 N ATOM 1368 CA THR B 25 10.945 3.346 -3.118 1.00 0.00 C ATOM 1369 C THR B 25 10.778 2.886 -1.665 1.00 0.00 C ATOM 1370 O THR B 25 11.703 2.311 -1.073 1.00 0.00 O ATOM 1371 CB THR B 25 10.703 2.143 -4.091 1.00 0.00 C ATOM 1372 OG1 THR B 25 11.065 2.525 -5.419 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.243 1.648 -4.087 1.00 0.00 C ATOM 0 H THR B 25 13.052 3.274 -3.077 1.00 0.00 H new ATOM 0 HA THR B 25 10.209 4.113 -3.357 1.00 0.00 H new ATOM 0 HB THR B 25 11.324 1.320 -3.739 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.915 1.772 -6.028 1.00 0.00 H new ATOM 0 HG21 THR B 25 9.140 0.814 -4.781 1.00 0.00 H new ATOM 0 HG22 THR B 25 8.973 1.321 -3.083 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.583 2.459 -4.394 1.00 0.00 H new ATOM 1381 N MET B 26 9.590 3.137 -1.108 1.00 0.00 N ATOM 1382 CA MET B 26 9.278 2.886 0.304 1.00 0.00 C ATOM 1383 C MET B 26 8.187 1.809 0.466 1.00 0.00 C ATOM 1384 O MET B 26 8.123 1.164 1.511 1.00 0.00 O ATOM 1385 CB MET B 26 8.912 4.224 0.996 1.00 0.00 C ATOM 1386 CG MET B 26 8.018 5.155 0.167 1.00 0.00 C ATOM 1387 SD MET B 26 6.422 4.436 -0.218 1.00 0.00 S ATOM 1388 CE MET B 26 5.730 4.279 1.414 1.00 0.00 C ATOM 0 H MET B 26 8.806 3.526 -1.632 1.00 0.00 H new ATOM 0 HA MET B 26 10.160 2.481 0.799 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.409 4.004 1.937 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.833 4.753 1.243 1.00 0.00 H new ATOM 0 HG2 MET B 26 7.868 6.086 0.713 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.529 5.408 -0.762 1.00 0.00 H new ATOM 0 HE1 MET B 26 4.984 3.484 1.418 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.522 4.037 2.123 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.260 5.219 1.702 1.00 0.00 H new ATOM 1398 N PHE B 27 7.324 1.609 -0.555 1.00 0.00 N ATOM 1399 CA PHE B 27 6.428 0.430 -0.587 1.00 0.00 C ATOM 1400 C PHE B 27 6.183 -0.033 -2.008 1.00 0.00 C ATOM 1401 O PHE B 27 6.255 0.744 -2.954 1.00 0.00 O ATOM 1402 CB PHE B 27 5.058 0.644 0.157 1.00 0.00 C ATOM 1403 CG PHE B 27 3.858 1.236 -0.623 1.00 0.00 C ATOM 1404 CD1 PHE B 27 3.660 2.598 -0.690 1.00 0.00 C ATOM 1405 CD2 PHE B 27 2.913 0.418 -1.249 1.00 0.00 C ATOM 1406 CE1 PHE B 27 2.583 3.149 -1.332 1.00 0.00 C ATOM 1407 CE2 PHE B 27 1.826 0.966 -1.912 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.660 2.338 -1.956 1.00 0.00 C ATOM 0 H PHE B 27 7.229 2.236 -1.354 1.00 0.00 H new ATOM 0 HA PHE B 27 6.958 -0.347 -0.036 1.00 0.00 H new ATOM 0 HB2 PHE B 27 4.746 -0.322 0.554 1.00 0.00 H new ATOM 0 HB3 PHE B 27 5.247 1.294 1.011 1.00 0.00 H new ATOM 0 HD1 PHE B 27 4.379 3.253 -0.220 1.00 0.00 H new ATOM 0 HD2 PHE B 27 3.031 -0.655 -1.216 1.00 0.00 H new ATOM 0 HE1 PHE B 27 2.457 4.221 -1.349 1.00 0.00 H new ATOM 0 HE2 PHE B 27 1.108 0.320 -2.395 1.00 0.00 H new ATOM 0 HZ PHE B 27 0.816 2.769 -2.474 1.00 0.00 H new ATOM 1418 N SER B 28 5.871 -1.321 -2.091 1.00 0.00 N ATOM 1419 CA SER B 28 5.315 -1.978 -3.251 1.00 0.00 C ATOM 1420 C SER B 28 4.054 -2.679 -2.744 1.00 0.00 C ATOM 1421 O SER B 28 4.072 -3.263 -1.652 1.00 0.00 O ATOM 1422 CB SER B 28 6.326 -2.977 -3.854 1.00 0.00 C ATOM 1423 OG SER B 28 5.769 -3.666 -4.967 1.00 0.00 O ATOM 0 H SER B 28 6.009 -1.960 -1.308 1.00 0.00 H new ATOM 0 HA SER B 28 5.083 -1.277 -4.053 1.00 0.00 H new ATOM 0 HB2 SER B 28 7.225 -2.445 -4.165 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.629 -3.696 -3.093 1.00 0.00 H new ATOM 0 HG SER B 28 5.211 -3.051 -5.487 1.00 0.00 H new ATOM 1429 N SER B 29 2.951 -2.582 -3.482 1.00 0.00 N ATOM 1430 CA SER B 29 1.671 -3.165 -3.059 1.00 0.00 C ATOM 1431 C SER B 29 1.530 -4.569 -3.660 1.00 0.00 C ATOM 1432 O SER B 29 2.466 -5.082 -4.290 1.00 0.00 O ATOM 1433 CB SER B 29 0.520 -2.237 -3.500 1.00 0.00 C ATOM 1434 OG SER B 29 -0.737 -2.700 -3.039 1.00 0.00 O ATOM 0 H SER B 29 2.914 -2.103 -4.382 1.00 0.00 H new ATOM 0 HA SER B 29 1.633 -3.258 -1.974 1.00 0.00 H new ATOM 0 HB2 SER B 29 0.698 -1.231 -3.120 1.00 0.00 H new ATOM 0 HB3 SER B 29 0.505 -2.168 -4.588 1.00 0.00 H new ATOM 0 HG SER B 29 -1.453 -2.248 -3.532 1.00 0.00 H new ATOM 1440 N GLU B 30 0.374 -5.201 -3.441 1.00 0.00 N ATOM 1441 CA GLU B 30 0.027 -6.465 -4.099 1.00 0.00 C ATOM 1442 C GLU B 30 -0.680 -6.181 -5.449 1.00 0.00 C ATOM 1443 O GLU B 30 -0.982 -7.105 -6.202 1.00 0.00 O ATOM 1444 CB GLU B 30 -0.849 -7.335 -3.155 1.00 0.00 C ATOM 1445 CG GLU B 30 -0.309 -7.412 -1.701 1.00 0.00 C ATOM 1446 CD GLU B 30 -0.780 -8.650 -0.925 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -1.836 -8.592 -0.268 1.00 0.00 O ATOM 1448 OE2 GLU B 30 -0.094 -9.690 -0.977 1.00 0.00 O ATOM 0 H GLU B 30 -0.345 -4.854 -2.806 1.00 0.00 H new ATOM 0 HA GLU B 30 0.935 -7.028 -4.314 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -1.861 -6.930 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -0.916 -8.344 -3.563 1.00 0.00 H new ATOM 0 HG2 GLU B 30 0.781 -7.406 -1.728 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -0.620 -6.517 -1.161 1.00 0.00 H new ATOM 1455 N GLY B 31 -0.927 -4.875 -5.734 1.00 0.00 N ATOM 1456 CA GLY B 31 -1.570 -4.423 -6.978 1.00 0.00 C ATOM 1457 C GLY B 31 -3.079 -4.286 -6.861 1.00 0.00 C ATOM 1458 O GLY B 31 -3.705 -3.650 -7.724 1.00 0.00 O ATOM 0 H GLY B 31 -0.682 -4.113 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -1.147 -3.462 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.337 -5.128 -7.776 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.638 -4.936 -5.809 1.00 0.00 N ATOM 1463 CA TYR B 32 -5.059 -4.874 -5.396 1.00 0.00 C ATOM 1464 C TYR B 32 -5.917 -5.827 -6.251 1.00 0.00 C ATOM 1465 O TYR B 32 -6.663 -6.649 -5.704 1.00 0.00 O ATOM 1466 CB TYR B 32 -5.598 -3.411 -5.393 1.00 0.00 C ATOM 1467 CG TYR B 32 -6.978 -3.193 -4.748 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -7.314 -3.793 -3.531 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -7.934 -2.360 -5.341 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -8.543 -3.574 -2.939 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -9.161 -2.138 -4.748 1.00 0.00 C ATOM 1472 CZ TYR B 32 -9.460 -2.747 -3.551 1.00 0.00 C ATOM 1473 OH TYR B 32 -10.680 -2.524 -2.950 1.00 0.00 O ATOM 0 H TYR B 32 -3.086 -5.542 -5.202 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.130 -5.219 -4.364 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -4.875 -2.781 -4.875 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -5.644 -3.061 -6.424 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -6.599 -4.440 -3.044 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -7.707 -1.881 -6.282 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -8.784 -4.049 -2.000 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -9.883 -1.489 -5.222 1.00 0.00 H new ATOM 0 HH TYR B 32 -10.555 -2.423 -1.983 1.00 0.00 H new ATOM 1483 N LYS B 33 -5.785 -5.718 -7.586 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.419 -6.638 -8.552 1.00 0.00 C ATOM 1485 C LYS B 33 -5.725 -6.505 -9.921 1.00 0.00 C ATOM 1486 O LYS B 33 -5.267 -7.499 -10.504 1.00 0.00 O ATOM 1487 CB LYS B 33 -7.949 -6.349 -8.687 1.00 0.00 C ATOM 1488 CG LYS B 33 -8.710 -7.290 -9.658 1.00 0.00 C ATOM 1489 CD LYS B 33 -8.748 -8.757 -9.168 1.00 0.00 C ATOM 1490 CE LYS B 33 -9.333 -9.725 -10.212 1.00 0.00 C ATOM 1491 NZ LYS B 33 -10.717 -9.377 -10.624 1.00 0.00 N ATOM 0 H LYS B 33 -5.232 -4.984 -8.029 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.306 -7.658 -8.186 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.406 -6.423 -7.700 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.081 -5.321 -9.023 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -9.730 -6.927 -9.783 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.236 -7.252 -10.639 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -7.737 -9.075 -8.912 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.341 -8.814 -8.255 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -8.690 -9.731 -11.092 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -9.326 -10.736 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -11.060 -10.075 -11.314 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -11.339 -9.381 -9.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -10.723 -8.431 -11.056 1.00 0.00 H new ATOM 1505 N ALA B 34 -5.659 -5.255 -10.408 1.00 0.00 N ATOM 1506 CA ALA B 34 -5.084 -4.910 -11.726 1.00 0.00 C ATOM 1507 C ALA B 34 -4.765 -3.408 -11.736 1.00 0.00 C ATOM 1508 O ALA B 34 -4.876 -2.762 -10.685 1.00 0.00 O ATOM 1509 CB ALA B 34 -6.053 -5.296 -12.854 1.00 0.00 C ATOM 0 H ALA B 34 -6.006 -4.445 -9.895 1.00 0.00 H new ATOM 0 HA ALA B 34 -4.164 -5.469 -11.897 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -5.613 -5.035 -13.817 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -6.242 -6.369 -12.820 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -6.993 -4.758 -12.726 1.00 0.00 H new ATOM 1515 N LYS B 35 -4.386 -2.830 -12.907 1.00 0.00 N ATOM 1516 CA LYS B 35 -3.925 -1.429 -12.962 1.00 0.00 C ATOM 1517 C LYS B 35 -5.075 -0.429 -12.722 1.00 0.00 C ATOM 1518 O LYS B 35 -4.872 0.564 -12.047 1.00 0.00 O ATOM 1519 CB LYS B 35 -3.115 -1.124 -14.266 1.00 0.00 C ATOM 1520 CG LYS B 35 -3.755 -1.502 -15.640 1.00 0.00 C ATOM 1521 CD LYS B 35 -4.862 -0.532 -16.141 1.00 0.00 C ATOM 1522 CE LYS B 35 -4.387 0.925 -16.239 1.00 0.00 C ATOM 1523 NZ LYS B 35 -3.194 1.060 -17.103 1.00 0.00 N ATOM 0 H LYS B 35 -4.392 -3.308 -13.808 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.228 -1.292 -12.135 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -2.900 -0.055 -14.282 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -2.158 -1.640 -14.192 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -2.966 -1.547 -16.391 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -4.179 -2.503 -15.563 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -5.209 -0.861 -17.120 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -5.716 -0.585 -15.466 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -5.193 1.544 -16.634 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -4.157 1.300 -15.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -3.085 2.053 -17.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -2.349 0.757 -16.578 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -3.308 0.465 -17.948 1.00 0.00 H new ATOM 1537 N ALA B 36 -6.274 -0.692 -13.275 1.00 0.00 N ATOM 1538 CA ALA B 36 -7.468 0.167 -13.057 1.00 0.00 C ATOM 1539 C ALA B 36 -7.838 0.227 -11.565 1.00 0.00 C ATOM 1540 O ALA B 36 -8.117 1.303 -11.021 1.00 0.00 O ATOM 1541 CB ALA B 36 -8.652 -0.320 -13.912 1.00 0.00 C ATOM 0 H ALA B 36 -6.448 -1.495 -13.880 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.223 1.181 -13.375 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -9.515 0.322 -13.737 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -8.379 -0.282 -14.967 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -8.901 -1.345 -13.638 1.00 0.00 H new ATOM 1547 N SER B 37 -7.792 -0.943 -10.910 1.00 0.00 N ATOM 1548 CA SER B 37 -7.998 -1.064 -9.457 1.00 0.00 C ATOM 1549 C SER B 37 -6.846 -0.419 -8.677 1.00 0.00 C ATOM 1550 O SER B 37 -7.032 0.015 -7.535 1.00 0.00 O ATOM 1551 CB SER B 37 -8.139 -2.549 -9.075 1.00 0.00 C ATOM 1552 OG SER B 37 -9.221 -3.147 -9.774 1.00 0.00 O ATOM 0 H SER B 37 -7.611 -1.834 -11.373 1.00 0.00 H new ATOM 0 HA SER B 37 -8.914 -0.535 -9.193 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.214 -3.078 -9.305 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.299 -2.640 -8.001 1.00 0.00 H new ATOM 0 HG SER B 37 -9.702 -3.754 -9.174 1.00 0.00 H new ATOM 1558 N ALA B 38 -5.663 -0.352 -9.313 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.466 0.241 -8.717 1.00 0.00 C ATOM 1560 C ALA B 38 -4.589 1.773 -8.647 1.00 0.00 C ATOM 1561 O ALA B 38 -4.287 2.348 -7.606 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.208 -0.176 -9.479 1.00 0.00 C ATOM 0 H ALA B 38 -5.516 -0.710 -10.257 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.377 -0.135 -7.698 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.333 0.279 -9.014 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.109 -1.261 -9.452 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.283 0.156 -10.514 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.019 2.430 -9.764 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.341 3.878 -9.778 1.00 0.00 C ATOM 1570 C ILE B 39 -6.367 4.212 -8.671 1.00 0.00 C ATOM 1571 O ILE B 39 -6.122 5.100 -7.853 1.00 0.00 O ATOM 1572 CB ILE B 39 -5.893 4.380 -11.197 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.748 4.585 -12.259 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.712 5.695 -11.075 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.228 3.342 -12.944 1.00 0.00 C ATOM 0 H ILE B 39 -5.149 1.972 -10.666 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.406 4.406 -9.589 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.548 3.582 -11.545 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.113 5.269 -13.025 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -3.910 5.078 -11.765 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -7.065 5.996 -12.061 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.566 5.532 -10.418 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -6.080 6.480 -10.660 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.445 3.617 -13.650 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -3.821 2.659 -12.198 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.043 2.853 -13.478 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.502 3.472 -8.651 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.618 3.714 -7.699 1.00 0.00 C ATOM 1589 C HIS B 40 -8.171 3.540 -6.245 1.00 0.00 C ATOM 1590 O HIS B 40 -8.598 4.307 -5.346 1.00 0.00 O ATOM 1591 CB HIS B 40 -9.845 2.819 -8.031 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.617 3.290 -9.238 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -11.928 3.702 -9.178 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -10.240 3.456 -10.526 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -12.321 4.086 -10.369 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -11.318 3.950 -11.207 1.00 0.00 N ATOM 0 H HIS B 40 -7.671 2.695 -9.289 1.00 0.00 H new ATOM 0 HA HIS B 40 -8.927 4.753 -7.816 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.505 1.797 -8.201 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.512 2.794 -7.169 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -9.267 3.238 -10.940 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -13.305 4.453 -10.619 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -11.340 4.176 -12.201 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.273 2.563 -6.021 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.658 2.354 -4.719 1.00 0.00 C ATOM 1607 C ALA B 41 -5.879 3.615 -4.348 1.00 0.00 C ATOM 1608 O ALA B 41 -6.157 4.239 -3.341 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.755 1.108 -4.742 1.00 0.00 C ATOM 0 H ALA B 41 -6.963 1.907 -6.738 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.422 2.173 -3.963 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.304 0.968 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.351 0.231 -4.996 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.970 1.241 -5.486 1.00 0.00 H new ATOM 1615 N ILE B 42 -4.983 4.041 -5.232 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.170 5.251 -5.041 1.00 0.00 C ATOM 1617 C ILE B 42 -5.044 6.521 -4.891 1.00 0.00 C ATOM 1618 O ILE B 42 -4.627 7.484 -4.253 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.140 5.386 -6.213 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.121 4.214 -6.136 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.412 6.744 -6.215 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.256 4.061 -7.351 1.00 0.00 C ATOM 0 H ILE B 42 -4.794 3.557 -6.110 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.620 5.151 -4.105 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.693 5.337 -7.151 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.481 4.362 -5.266 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.667 3.285 -5.975 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.711 6.780 -7.049 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.141 7.548 -6.319 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.868 6.867 -5.278 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -0.576 3.221 -7.210 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -1.883 3.878 -8.224 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.679 4.973 -7.504 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.288 6.478 -5.401 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.213 7.624 -5.304 1.00 0.00 C ATOM 1636 C GLU B 43 -7.661 7.814 -3.847 1.00 0.00 C ATOM 1637 O GLU B 43 -7.963 8.937 -3.450 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.425 7.498 -6.264 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.092 7.670 -7.763 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.328 7.534 -8.675 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.102 8.499 -8.804 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -9.546 6.464 -9.259 1.00 0.00 O ATOM 0 H GLU B 43 -6.676 5.667 -5.882 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.672 8.514 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -8.884 6.520 -6.119 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.169 8.244 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.639 8.649 -7.919 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.350 6.926 -8.052 1.00 0.00 H new ATOM 1649 N SER B 44 -7.683 6.705 -3.062 1.00 0.00 N ATOM 1650 CA SER B 44 -7.791 6.769 -1.579 1.00 0.00 C ATOM 1651 C SER B 44 -6.677 7.620 -0.964 1.00 0.00 C ATOM 1652 O SER B 44 -6.921 8.388 -0.022 1.00 0.00 O ATOM 1653 CB SER B 44 -7.702 5.360 -0.966 1.00 0.00 C ATOM 1654 OG SER B 44 -8.900 4.629 -1.171 1.00 0.00 O ATOM 0 H SER B 44 -7.627 5.756 -3.431 1.00 0.00 H new ATOM 0 HA SER B 44 -8.757 7.222 -1.358 1.00 0.00 H new ATOM 0 HB2 SER B 44 -6.865 4.821 -1.410 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.500 5.439 0.102 1.00 0.00 H new ATOM 0 HG SER B 44 -9.366 4.518 -0.316 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.449 7.455 -1.497 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.265 8.086 -0.919 1.00 0.00 C ATOM 1662 C ILE B 45 -4.344 9.607 -1.138 1.00 0.00 C ATOM 1663 O ILE B 45 -4.027 10.400 -0.244 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.891 7.545 -1.502 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.902 6.003 -1.753 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.770 7.886 -0.516 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -2.868 5.140 -0.511 1.00 0.00 C ATOM 0 H ILE B 45 -5.261 6.890 -2.325 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.269 7.833 0.141 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.732 8.026 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.796 5.752 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -2.044 5.748 -2.375 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.820 7.520 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.716 8.967 -0.386 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -1.975 7.415 0.445 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -2.879 4.089 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -1.961 5.352 0.055 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.740 5.357 0.106 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.824 9.989 -2.338 1.00 0.00 N ATOM 1680 CA LYS B 46 -4.907 11.399 -2.784 1.00 0.00 C ATOM 1681 C LYS B 46 -5.899 12.230 -1.950 1.00 0.00 C ATOM 1682 O LYS B 46 -5.848 13.468 -1.969 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.297 11.485 -4.299 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.635 10.442 -5.244 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.123 10.211 -4.980 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.251 11.429 -5.260 1.00 0.00 C ATOM 1687 NZ LYS B 46 -2.116 11.680 -6.712 1.00 0.00 N ATOM 0 H LYS B 46 -5.168 9.325 -3.032 1.00 0.00 H new ATOM 0 HA LYS B 46 -3.914 11.823 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.379 11.381 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -5.045 12.482 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.159 9.492 -5.142 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -4.766 10.769 -6.276 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -2.988 9.912 -3.941 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -2.779 9.381 -5.598 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.683 12.305 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.264 11.279 -4.823 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.260 12.244 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -2.043 10.773 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -2.950 12.200 -7.053 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.789 11.531 -1.247 1.00 0.00 N ATOM 1702 CA ARG B 47 -7.868 12.152 -0.451 1.00 0.00 C ATOM 1703 C ARG B 47 -7.307 12.893 0.785 1.00 0.00 C ATOM 1704 O ARG B 47 -7.292 14.129 0.828 1.00 0.00 O ATOM 1705 CB ARG B 47 -8.914 11.095 0.006 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.576 10.288 -1.119 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.449 11.131 -2.058 1.00 0.00 C ATOM 1708 NE ARG B 47 -11.010 10.307 -3.146 1.00 0.00 N ATOM 1709 CZ ARG B 47 -10.751 10.458 -4.456 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -9.974 11.441 -4.878 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -11.273 9.610 -5.332 1.00 0.00 N ATOM 0 H ARG B 47 -6.789 10.512 -1.208 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.360 12.877 -1.099 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.427 10.400 0.689 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.695 11.604 0.572 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -8.800 9.796 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.189 9.502 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -11.259 11.591 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -9.856 11.942 -2.481 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.650 9.558 -2.881 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -9.566 12.092 -4.207 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -9.783 11.548 -5.874 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -11.869 8.847 -5.011 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -11.079 9.721 -6.327 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.830 12.116 1.780 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.443 12.639 3.116 1.00 0.00 C ATOM 1727 C ASN B 48 -5.381 11.730 3.774 1.00 0.00 C ATOM 1728 O ASN B 48 -5.150 11.832 4.973 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.688 12.775 4.064 1.00 0.00 C ATOM 1730 CG ASN B 48 -8.639 13.933 3.731 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -9.601 13.776 2.980 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -8.374 15.104 4.289 1.00 0.00 N ATOM 0 H ASN B 48 -6.701 11.109 1.684 1.00 0.00 H new ATOM 0 HA ASN B 48 -6.018 13.631 2.964 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.252 11.843 4.033 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -7.334 12.900 5.087 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -8.975 15.906 4.100 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -7.569 15.204 4.908 1.00 0.00 H new ATOM 1739 N SER B 49 -4.725 10.859 2.985 1.00 0.00 N ATOM 1740 CA SER B 49 -3.780 9.849 3.518 1.00 0.00 C ATOM 1741 C SER B 49 -2.530 10.486 4.153 1.00 0.00 C ATOM 1742 O SER B 49 -1.959 9.934 5.099 1.00 0.00 O ATOM 1743 CB SER B 49 -3.366 8.888 2.411 1.00 0.00 C ATOM 1744 OG SER B 49 -2.570 7.828 2.891 1.00 0.00 O ATOM 0 H SER B 49 -4.830 10.831 1.971 1.00 0.00 H new ATOM 0 HA SER B 49 -4.302 9.306 4.306 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.258 8.482 1.933 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.815 9.435 1.646 1.00 0.00 H new ATOM 0 HG SER B 49 -2.677 7.752 3.862 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.114 11.650 3.624 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.036 12.454 4.221 1.00 0.00 C ATOM 1752 C ALA B 50 -1.423 12.976 5.625 1.00 0.00 C ATOM 1753 O ALA B 50 -0.550 13.234 6.462 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.652 13.602 3.282 1.00 0.00 C ATOM 0 H ALA B 50 -2.512 12.056 2.778 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.165 11.812 4.353 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.147 14.190 3.734 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.309 13.195 2.331 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.520 14.239 3.112 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.741 13.114 5.870 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.268 13.494 7.189 1.00 0.00 C ATOM 1762 C GLY B 51 -3.974 12.352 7.919 1.00 0.00 C ATOM 1763 O GLY B 51 -4.567 12.581 8.978 1.00 0.00 O ATOM 0 H GLY B 51 -3.462 12.966 5.164 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.447 13.857 7.808 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -3.966 14.322 7.067 1.00 0.00 H new ATOM 1767 N ALA B 52 -3.941 11.127 7.337 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.445 9.892 7.989 1.00 0.00 C ATOM 1769 C ALA B 52 -3.684 9.572 9.291 1.00 0.00 C ATOM 1770 O ALA B 52 -2.724 10.258 9.653 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.351 8.707 7.006 1.00 0.00 C ATOM 0 H ALA B 52 -3.564 10.968 6.403 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.488 10.060 8.259 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -4.722 7.803 7.489 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -4.952 8.919 6.122 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.312 8.560 6.711 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.133 8.536 10.004 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.446 8.049 11.215 1.00 0.00 C ATOM 1779 C ASP B 53 -2.633 6.788 10.872 1.00 0.00 C ATOM 1780 O ASP B 53 -2.923 6.105 9.886 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.474 7.780 12.345 1.00 0.00 C ATOM 1782 CG ASP B 53 -3.835 7.409 13.699 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -2.933 8.140 14.166 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -4.245 6.411 14.314 1.00 0.00 O ATOM 0 H ASP B 53 -4.975 8.012 9.766 1.00 0.00 H new ATOM 0 HA ASP B 53 -2.756 8.811 11.578 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.093 8.667 12.478 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.137 6.973 12.034 1.00 0.00 H new ATOM 1789 N THR B 54 -1.569 6.527 11.638 1.00 0.00 N ATOM 1790 CA THR B 54 -0.741 5.321 11.476 1.00 0.00 C ATOM 1791 C THR B 54 -0.852 4.455 12.746 1.00 0.00 C ATOM 1792 O THR B 54 -0.362 4.832 13.813 1.00 0.00 O ATOM 1793 CB THR B 54 0.747 5.710 11.184 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.797 6.656 10.096 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.613 4.486 10.825 1.00 0.00 C ATOM 0 H THR B 54 -1.255 7.143 12.388 1.00 0.00 H new ATOM 0 HA THR B 54 -1.101 4.744 10.624 1.00 0.00 H new ATOM 0 HB THR B 54 1.150 6.150 12.096 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.729 6.899 9.916 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.636 4.808 10.631 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.606 3.779 11.655 1.00 0.00 H new ATOM 0 HG23 THR B 54 1.210 4.004 9.935 1.00 0.00 H new ATOM 1803 N VAL B 55 -1.555 3.320 12.622 1.00 0.00 N ATOM 1804 CA VAL B 55 -1.809 2.369 13.725 1.00 0.00 C ATOM 1805 C VAL B 55 -0.990 1.087 13.503 1.00 0.00 C ATOM 1806 O VAL B 55 -1.067 0.497 12.416 1.00 0.00 O ATOM 1807 CB VAL B 55 -3.334 1.981 13.798 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -3.648 1.078 15.016 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.232 3.231 13.788 1.00 0.00 C ATOM 0 H VAL B 55 -1.972 3.028 11.738 1.00 0.00 H new ATOM 0 HA VAL B 55 -1.518 2.852 14.658 1.00 0.00 H new ATOM 0 HB VAL B 55 -3.556 1.401 12.902 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -4.711 0.836 15.025 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.067 0.158 14.946 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -3.387 1.603 15.935 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.278 2.928 13.839 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -3.993 3.858 14.647 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.062 3.794 12.870 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.219 0.673 14.527 1.00 0.00 N ATOM 1820 CA ASP B 56 0.514 -0.608 14.530 1.00 0.00 C ATOM 1821 C ASP B 56 -0.176 -1.596 15.496 1.00 0.00 C ATOM 1822 O ASP B 56 -0.149 -1.413 16.720 1.00 0.00 O ATOM 1823 CB ASP B 56 1.996 -0.398 14.925 1.00 0.00 C ATOM 1824 CG ASP B 56 2.823 -1.702 14.856 1.00 0.00 C ATOM 1825 OD1 ASP B 56 2.771 -2.518 15.807 1.00 0.00 O ATOM 1826 OD2 ASP B 56 3.534 -1.919 13.860 1.00 0.00 O ATOM 0 H ASP B 56 -0.087 1.219 15.378 1.00 0.00 H new ATOM 0 HA ASP B 56 0.498 -1.025 13.523 1.00 0.00 H new ATOM 0 HB2 ASP B 56 2.442 0.345 14.264 1.00 0.00 H new ATOM 0 HB3 ASP B 56 2.044 0.005 15.937 1.00 0.00 H new ATOM 1831 N LEU B 57 -0.795 -2.624 14.916 1.00 0.00 N ATOM 1832 CA LEU B 57 -1.523 -3.681 15.640 1.00 0.00 C ATOM 1833 C LEU B 57 -0.590 -4.799 16.146 1.00 0.00 C ATOM 1834 O LEU B 57 -0.946 -5.488 17.101 1.00 0.00 O ATOM 1835 CB LEU B 57 -2.629 -4.311 14.732 1.00 0.00 C ATOM 1836 CG LEU B 57 -3.773 -3.366 14.224 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -4.441 -2.601 15.384 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -3.287 -2.402 13.130 1.00 0.00 C ATOM 0 H LEU B 57 -0.808 -2.753 13.904 1.00 0.00 H new ATOM 0 HA LEU B 57 -1.979 -3.202 16.506 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.141 -4.747 13.860 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.090 -5.131 15.283 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.529 -4.009 13.774 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -5.228 -1.958 14.990 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -4.872 -3.312 16.088 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -3.696 -1.991 15.895 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.114 -1.768 12.810 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -2.484 -1.779 13.524 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -2.918 -2.974 12.279 1.00 0.00 H new ATOM 1850 N THR B 58 0.616 -4.963 15.552 1.00 0.00 N ATOM 1851 CA THR B 58 1.465 -6.152 15.828 1.00 0.00 C ATOM 1852 C THR B 58 2.362 -5.938 17.070 1.00 0.00 C ATOM 1853 O THR B 58 3.207 -6.785 17.397 1.00 0.00 O ATOM 1854 CB THR B 58 2.306 -6.553 14.565 1.00 0.00 C ATOM 1855 OG1 THR B 58 3.029 -7.780 14.773 1.00 0.00 O ATOM 1856 CG2 THR B 58 3.271 -5.451 14.117 1.00 0.00 C ATOM 0 H THR B 58 1.020 -4.301 14.889 1.00 0.00 H new ATOM 0 HA THR B 58 0.800 -6.985 16.057 1.00 0.00 H new ATOM 0 HB THR B 58 1.580 -6.702 13.766 1.00 0.00 H new ATOM 0 HG1 THR B 58 3.425 -7.778 15.669 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.824 -5.786 13.240 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.707 -4.552 13.868 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.970 -5.229 14.924 1.00 0.00 H new ATOM 1864 N THR B 59 2.128 -4.833 17.798 1.00 0.00 N ATOM 1865 CA THR B 59 2.739 -4.594 19.111 1.00 0.00 C ATOM 1866 C THR B 59 1.900 -5.326 20.180 1.00 0.00 C ATOM 1867 O THR B 59 2.433 -5.813 21.184 1.00 0.00 O ATOM 1868 CB THR B 59 2.852 -3.058 19.412 1.00 0.00 C ATOM 1869 OG1 THR B 59 1.711 -2.369 18.870 1.00 0.00 O ATOM 1870 CG2 THR B 59 4.143 -2.442 18.837 1.00 0.00 C ATOM 0 H THR B 59 1.510 -4.082 17.490 1.00 0.00 H new ATOM 0 HA THR B 59 3.756 -4.986 19.123 1.00 0.00 H new ATOM 0 HB THR B 59 2.884 -2.942 20.495 1.00 0.00 H new ATOM 0 HG1 THR B 59 1.786 -1.411 19.062 1.00 0.00 H new ATOM 0 HG21 THR B 59 4.174 -1.378 19.072 1.00 0.00 H new ATOM 0 HG22 THR B 59 5.009 -2.936 19.277 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.159 -2.576 17.755 1.00 0.00 H new ATOM 1878 N MET B 60 0.577 -5.400 19.934 1.00 0.00 N ATOM 1879 CA MET B 60 -0.335 -6.293 20.660 1.00 0.00 C ATOM 1880 C MET B 60 -0.362 -7.638 19.909 1.00 0.00 C ATOM 1881 O MET B 60 -1.068 -7.778 18.898 1.00 0.00 O ATOM 1882 CB MET B 60 -1.761 -5.677 20.739 1.00 0.00 C ATOM 1883 CG MET B 60 -2.793 -6.519 21.508 1.00 0.00 C ATOM 1884 SD MET B 60 -4.490 -5.955 21.244 1.00 0.00 S ATOM 1885 CE MET B 60 -4.717 -6.278 19.488 1.00 0.00 C ATOM 0 H MET B 60 0.113 -4.837 19.221 1.00 0.00 H new ATOM 0 HA MET B 60 0.010 -6.437 21.684 1.00 0.00 H new ATOM 0 HB2 MET B 60 -1.691 -4.697 21.210 1.00 0.00 H new ATOM 0 HB3 MET B 60 -2.128 -5.518 19.725 1.00 0.00 H new ATOM 0 HG2 MET B 60 -2.709 -7.561 21.199 1.00 0.00 H new ATOM 0 HG3 MET B 60 -2.564 -6.483 22.573 1.00 0.00 H new ATOM 0 HE1 MET B 60 -5.780 -6.392 19.273 1.00 0.00 H new ATOM 0 HE2 MET B 60 -4.317 -5.445 18.910 1.00 0.00 H new ATOM 0 HE3 MET B 60 -4.192 -7.193 19.216 1.00 0.00 H new ATOM 1895 N THR B 61 0.467 -8.596 20.366 1.00 0.00 N ATOM 1896 CA THR B 61 0.574 -9.918 19.738 1.00 0.00 C ATOM 1897 C THR B 61 -0.749 -10.701 19.905 1.00 0.00 C ATOM 1898 O THR B 61 -1.102 -11.141 21.006 1.00 0.00 O ATOM 1899 CB THR B 61 1.793 -10.715 20.307 1.00 0.00 C ATOM 1900 OG1 THR B 61 1.716 -10.794 21.745 1.00 0.00 O ATOM 1901 CG2 THR B 61 3.134 -10.064 19.903 1.00 0.00 C ATOM 0 H THR B 61 1.075 -8.473 21.175 1.00 0.00 H new ATOM 0 HA THR B 61 0.750 -9.781 18.671 1.00 0.00 H new ATOM 0 HB THR B 61 1.753 -11.718 19.882 1.00 0.00 H new ATOM 0 HG1 THR B 61 0.776 -10.835 22.021 1.00 0.00 H new ATOM 0 HG21 THR B 61 3.959 -10.644 20.316 1.00 0.00 H new ATOM 0 HG22 THR B 61 3.214 -10.041 18.816 1.00 0.00 H new ATOM 0 HG23 THR B 61 3.176 -9.046 20.292 1.00 0.00 H new ATOM 1909 N ALA B 62 -1.474 -10.842 18.789 1.00 0.00 N ATOM 1910 CA ALA B 62 -2.851 -11.353 18.756 1.00 0.00 C ATOM 1911 C ALA B 62 -2.884 -12.753 18.100 1.00 0.00 C ATOM 1912 O ALA B 62 -2.757 -12.843 16.858 1.00 0.00 O ATOM 1913 CB ALA B 62 -3.738 -10.337 18.009 1.00 0.00 C ATOM 1914 OXT ALA B 62 -2.993 -13.762 18.832 1.00 0.00 O ATOM 0 H ALA B 62 -1.114 -10.600 17.866 1.00 0.00 H new ATOM 0 HA ALA B 62 -3.240 -11.469 19.768 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -4.764 -10.704 17.977 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -3.711 -9.379 18.529 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -3.367 -10.208 16.992 1.00 0.00 H new TER 1920 ALA B 62