USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1069 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 59 GLN : amide:sc= -2.22! K(o=-1.3!,f=-4.8) USER MOD Set 1.2: B 68 HIS : no HE2:sc= 0.922 K(o=-1.3,f=-11!) USER MOD Set 2.1: B 7 THR OG1 : rot 119:sc=-0.00368 USER MOD Set 2.2: B 9 THR OG1 : rot 180:sc= 0.216 USER MOD Single : A 7 LYS NZ :NH3+ -144:sc= 0.732 (180deg=-1.51!) USER MOD Single : A 12 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.07) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -109:sc= 1.21 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.673 USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= -0.139 (180deg=-0.703) USER MOD Single : A 27 SER OG : rot 89:sc= 1.29 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -171:sc= -0.0059 (180deg=-0.138) USER MOD Single : A 38 LYS NZ :NH3+ 148:sc= 1.24 (180deg=0.394) USER MOD Single : A 39 SER OG : rot 173:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= -0.181 (180deg=-0.181) USER MOD Single : A 44 MET CE :methyl -152:sc= -0.274 (180deg=-1.64) USER MOD Single : A 45 CYS SG : rot 4:sc= -0.0105 USER MOD Single : A 46 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.55) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= -0.0416 (180deg=-0.385) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -140:sc= 0 (180deg=-1.65!) USER MOD Single : B 1 MET N :NH3+ 150:sc= 2.27 (180deg=1.89) USER MOD Single : B 2 GLN : amide:sc= 1.22 K(o=1.2,f=-0.5) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 147:sc= 1.17 (180deg=-0.404!) USER MOD Single : B 12 THR OG1 : rot 53:sc= 0.0463 USER MOD Single : B 14 THR OG1 : rot 45:sc= 0.0528 USER MOD Single : B 19 SER OG : rot 180:sc= -0.0244 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 144:sc= 0.646 USER MOD Single : B 25 ASN : amide:sc= 0.464 K(o=0.46,f=-1.1) USER MOD Single : B 27 LYS NZ :NH3+ 158:sc= 2.3 (180deg=2.09) USER MOD Single : B 28 SER OG : rot 70:sc= 0.474 USER MOD Single : B 29 LYS NZ :NH3+ -179:sc= 1.17 (180deg=1.11) USER MOD Single : B 31 GLN : amide:sc= -1.2! K(o=-1.2!,f=-0.031) USER MOD Single : B 33 LYS NZ :NH3+ 156:sc= 1.17 (180deg=0.602) USER MOD Single : B 40 GLN : amide:sc= -1.88! K(o=-1.9!,f=-0.061) USER MOD Single : B 41 GLN : amide:sc= -1.92! C(o=-1.9!,f=-5.9!) USER MOD Single : B 48 LYS NZ :NH3+ -163:sc= -0.0515 (180deg=-0.367) USER MOD Single : B 49 GLN : amide:sc= 0.559 K(o=0.56,f=-1.9!) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot -131:sc= 1.28 USER MOD Single : B 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.12) USER MOD Single : B 65 SER OG : rot -111:sc= 1.3 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 7 -20.805 3.476 0.684 1.00 0.00 N ATOM 97 CA LYS A 7 -19.763 3.824 -0.278 1.00 0.00 C ATOM 98 C LYS A 7 -18.937 2.607 -0.707 1.00 0.00 C ATOM 99 O LYS A 7 -18.293 1.951 0.112 1.00 0.00 O ATOM 100 CB LYS A 7 -18.871 4.886 0.368 1.00 0.00 C ATOM 101 CG LYS A 7 -18.708 4.665 1.865 1.00 0.00 C ATOM 102 CD LYS A 7 -18.033 5.829 2.565 1.00 0.00 C ATOM 103 CE LYS A 7 -16.585 5.980 2.144 1.00 0.00 C ATOM 104 NZ LYS A 7 -15.854 6.907 3.043 1.00 0.00 N ATOM 0 HA LYS A 7 -20.226 4.208 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.891 4.874 -0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -19.298 5.873 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -19.689 4.499 2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -18.124 3.760 2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -18.573 6.749 2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -18.084 5.682 3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -16.099 5.005 2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.539 6.351 1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.167 7.458 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.529 7.554 3.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.353 6.360 3.772 1.00 0.00 H new ATOM 118 N ARG A 8 -18.963 2.315 -2.002 1.00 0.00 N ATOM 119 CA ARG A 8 -18.291 1.136 -2.537 1.00 0.00 C ATOM 120 C ARG A 8 -17.012 1.516 -3.280 1.00 0.00 C ATOM 121 O ARG A 8 -16.873 2.642 -3.774 1.00 0.00 O ATOM 122 CB ARG A 8 -19.230 0.378 -3.478 1.00 0.00 C ATOM 123 CG ARG A 8 -20.557 -0.001 -2.838 1.00 0.00 C ATOM 124 CD ARG A 8 -21.443 -0.789 -3.790 1.00 0.00 C ATOM 125 NE ARG A 8 -20.863 -2.088 -4.132 1.00 0.00 N ATOM 126 CZ ARG A 8 -21.318 -2.874 -5.109 1.00 0.00 C ATOM 127 NH1 ARG A 8 -22.355 -2.494 -5.847 1.00 0.00 N ATOM 128 NH2 ARG A 8 -20.734 -4.042 -5.345 1.00 0.00 N ATOM 0 H ARG A 8 -19.443 2.880 -2.703 1.00 0.00 H new ATOM 0 HA ARG A 8 -18.021 0.495 -1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -19.423 0.992 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.731 -0.527 -3.824 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -20.371 -0.593 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -21.078 0.902 -2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -22.422 -0.938 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -21.600 -0.211 -4.701 1.00 0.00 H new ATOM 0 HE ARG A 8 -20.062 -2.412 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -22.807 -1.597 -5.668 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -22.699 -3.099 -6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -19.938 -4.338 -4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -21.081 -4.644 -6.092 1.00 0.00 H new ATOM 142 N GLY A 9 -16.085 0.570 -3.360 1.00 0.00 N ATOM 143 CA GLY A 9 -14.836 0.793 -4.061 1.00 0.00 C ATOM 144 C GLY A 9 -14.323 -0.473 -4.721 1.00 0.00 C ATOM 145 O GLY A 9 -14.845 -1.565 -4.475 1.00 0.00 O ATOM 0 H GLY A 9 -16.178 -0.358 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.977 1.565 -4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.088 1.166 -3.361 1.00 0.00 H new ATOM 149 N ILE A 10 -13.318 -0.329 -5.571 1.00 0.00 N ATOM 150 CA ILE A 10 -12.703 -1.473 -6.232 1.00 0.00 C ATOM 151 C ILE A 10 -11.186 -1.412 -6.086 1.00 0.00 C ATOM 152 O ILE A 10 -10.573 -0.370 -6.327 1.00 0.00 O ATOM 153 CB ILE A 10 -13.065 -1.531 -7.737 1.00 0.00 C ATOM 154 CG1 ILE A 10 -14.588 -1.564 -7.927 1.00 0.00 C ATOM 155 CG2 ILE A 10 -12.425 -2.747 -8.395 1.00 0.00 C ATOM 156 CD1 ILE A 10 -15.026 -1.541 -9.378 1.00 0.00 C ATOM 0 H ILE A 10 -12.909 0.571 -5.821 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.090 -2.371 -5.750 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.676 -0.632 -8.215 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.984 -2.462 -7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -15.027 -0.710 -7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.691 -2.771 -9.452 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.341 -2.687 -8.294 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.785 -3.655 -7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.114 -1.567 -9.430 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.661 -0.631 -9.854 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.618 -2.409 -9.895 1.00 0.00 H new ATOM 168 N VAL A 11 -10.585 -2.520 -5.680 1.00 0.00 N ATOM 169 CA VAL A 11 -9.139 -2.581 -5.512 1.00 0.00 C ATOM 170 C VAL A 11 -8.447 -2.879 -6.848 1.00 0.00 C ATOM 171 O VAL A 11 -8.876 -3.754 -7.608 1.00 0.00 O ATOM 172 CB VAL A 11 -8.742 -3.628 -4.446 1.00 0.00 C ATOM 173 CG1 VAL A 11 -9.337 -4.988 -4.763 1.00 0.00 C ATOM 174 CG2 VAL A 11 -7.232 -3.717 -4.311 1.00 0.00 C ATOM 0 H VAL A 11 -11.074 -3.388 -5.461 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.804 -1.604 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.150 -3.300 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.040 -5.703 -3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.424 -4.913 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.975 -5.326 -5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.977 -4.460 -3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.798 -4.009 -5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.835 -2.746 -4.013 1.00 0.00 H new ATOM 184 N GLN A 12 -7.390 -2.129 -7.138 1.00 0.00 N ATOM 185 CA GLN A 12 -6.705 -2.231 -8.424 1.00 0.00 C ATOM 186 C GLN A 12 -5.446 -3.091 -8.336 1.00 0.00 C ATOM 187 O GLN A 12 -4.867 -3.457 -9.358 1.00 0.00 O ATOM 188 CB GLN A 12 -6.336 -0.836 -8.929 1.00 0.00 C ATOM 189 CG GLN A 12 -7.536 0.064 -9.190 1.00 0.00 C ATOM 190 CD GLN A 12 -8.486 -0.516 -10.220 1.00 0.00 C ATOM 191 OE1 GLN A 12 -8.338 -0.286 -11.419 1.00 0.00 O ATOM 192 NE2 GLN A 12 -9.477 -1.260 -9.758 1.00 0.00 N ATOM 0 H GLN A 12 -6.987 -1.442 -6.500 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.390 -2.712 -9.122 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.687 -0.356 -8.197 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.761 -0.934 -9.850 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.074 0.227 -8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.187 1.039 -9.531 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.565 -1.427 -8.756 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.153 -1.667 -10.404 1.00 0.00 H new ATOM 201 N TYR A 13 -5.023 -3.405 -7.123 1.00 0.00 N ATOM 202 CA TYR A 13 -3.797 -4.173 -6.920 1.00 0.00 C ATOM 203 C TYR A 13 -4.046 -5.385 -6.032 1.00 0.00 C ATOM 204 O TYR A 13 -5.127 -5.546 -5.468 1.00 0.00 O ATOM 205 CB TYR A 13 -2.713 -3.309 -6.267 1.00 0.00 C ATOM 206 CG TYR A 13 -2.230 -2.142 -7.098 1.00 0.00 C ATOM 207 CD1 TYR A 13 -2.862 -0.906 -7.034 1.00 0.00 C ATOM 208 CD2 TYR A 13 -1.123 -2.270 -7.928 1.00 0.00 C ATOM 209 CE1 TYR A 13 -2.409 0.167 -7.775 1.00 0.00 C ATOM 210 CE2 TYR A 13 -0.660 -1.198 -8.667 1.00 0.00 C ATOM 211 CZ TYR A 13 -1.306 0.016 -8.588 1.00 0.00 C ATOM 212 OH TYR A 13 -0.841 1.091 -9.312 1.00 0.00 O ATOM 0 H TYR A 13 -5.506 -3.143 -6.264 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.463 -4.505 -7.903 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.097 -2.926 -5.321 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.859 -3.944 -6.031 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.723 -0.783 -6.393 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.617 -3.222 -7.997 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.916 1.119 -7.718 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.205 -1.312 -9.304 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.057 0.820 -9.833 1.00 0.00 H new ATOM 222 N ASP A 14 -3.038 -6.239 -5.930 1.00 0.00 N ATOM 223 CA ASP A 14 -3.051 -7.347 -4.981 1.00 0.00 C ATOM 224 C ASP A 14 -2.246 -6.973 -3.745 1.00 0.00 C ATOM 225 O ASP A 14 -1.367 -6.113 -3.812 1.00 0.00 O ATOM 226 CB ASP A 14 -2.461 -8.616 -5.609 1.00 0.00 C ATOM 227 CG ASP A 14 -3.486 -9.456 -6.341 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.019 -8.999 -7.374 1.00 0.00 O ATOM 229 OD2 ASP A 14 -3.756 -10.587 -5.896 1.00 0.00 O ATOM 0 H ASP A 14 -2.192 -6.186 -6.498 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.086 -7.547 -4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.669 -8.335 -6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.999 -9.219 -4.827 1.00 0.00 H new ATOM 234 N PHE A 15 -2.552 -7.603 -2.621 1.00 0.00 N ATOM 235 CA PHE A 15 -1.797 -7.387 -1.393 1.00 0.00 C ATOM 236 C PHE A 15 -2.009 -8.536 -0.416 1.00 0.00 C ATOM 237 O PHE A 15 -3.142 -8.953 -0.173 1.00 0.00 O ATOM 238 CB PHE A 15 -2.190 -6.063 -0.729 1.00 0.00 C ATOM 239 CG PHE A 15 -1.493 -5.829 0.581 1.00 0.00 C ATOM 240 CD1 PHE A 15 -0.146 -5.505 0.615 1.00 0.00 C ATOM 241 CD2 PHE A 15 -2.182 -5.951 1.778 1.00 0.00 C ATOM 242 CE1 PHE A 15 0.499 -5.301 1.820 1.00 0.00 C ATOM 243 CE2 PHE A 15 -1.541 -5.751 2.983 1.00 0.00 C ATOM 244 CZ PHE A 15 -0.199 -5.425 3.005 1.00 0.00 C ATOM 0 H PHE A 15 -3.319 -8.269 -2.532 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.742 -7.342 -1.661 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.960 -5.241 -1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.268 -6.051 -0.567 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.405 -5.411 -0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.232 -6.205 1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.548 -5.045 1.835 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.088 -5.849 3.909 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.304 -5.267 3.948 1.00 0.00 H new ATOM 254 N MET A 16 -0.913 -9.042 0.136 1.00 0.00 N ATOM 255 CA MET A 16 -0.971 -10.090 1.146 1.00 0.00 C ATOM 256 C MET A 16 -0.799 -9.483 2.531 1.00 0.00 C ATOM 257 O MET A 16 0.159 -8.747 2.776 1.00 0.00 O ATOM 258 CB MET A 16 0.118 -11.141 0.903 1.00 0.00 C ATOM 259 CG MET A 16 0.002 -11.841 -0.438 1.00 0.00 C ATOM 260 SD MET A 16 1.343 -13.011 -0.728 1.00 0.00 S ATOM 261 CE MET A 16 0.921 -13.598 -2.366 1.00 0.00 C ATOM 0 H MET A 16 0.032 -8.741 -0.101 1.00 0.00 H new ATOM 0 HA MET A 16 -1.944 -10.577 1.081 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.095 -10.661 0.969 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.075 -11.887 1.697 1.00 0.00 H new ATOM 0 HG2 MET A 16 -0.951 -12.367 -0.488 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.003 -11.096 -1.233 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.658 -14.332 -2.690 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.066 -14.060 -2.344 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.914 -12.759 -3.062 1.00 0.00 H new ATOM 271 N ALA A 17 -1.728 -9.783 3.428 1.00 0.00 N ATOM 272 CA ALA A 17 -1.697 -9.232 4.777 1.00 0.00 C ATOM 273 C ALA A 17 -0.735 -10.007 5.669 1.00 0.00 C ATOM 274 O ALA A 17 -0.435 -11.177 5.412 1.00 0.00 O ATOM 275 CB ALA A 17 -3.093 -9.237 5.382 1.00 0.00 C ATOM 0 H ALA A 17 -2.515 -10.406 3.246 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.342 -8.204 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.054 -8.823 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.759 -8.632 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.468 -10.260 5.424 1.00 0.00 H new ATOM 281 N GLU A 18 -0.253 -9.350 6.712 1.00 0.00 N ATOM 282 CA GLU A 18 0.636 -9.981 7.672 1.00 0.00 C ATOM 283 C GLU A 18 -0.042 -10.063 9.035 1.00 0.00 C ATOM 284 O GLU A 18 -0.027 -11.103 9.695 1.00 0.00 O ATOM 285 CB GLU A 18 1.942 -9.190 7.788 1.00 0.00 C ATOM 286 CG GLU A 18 2.978 -9.845 8.689 1.00 0.00 C ATOM 287 CD GLU A 18 3.477 -11.165 8.138 1.00 0.00 C ATOM 288 OE1 GLU A 18 2.779 -12.187 8.298 1.00 0.00 O ATOM 289 OE2 GLU A 18 4.573 -11.184 7.543 1.00 0.00 O ATOM 0 H GLU A 18 -0.465 -8.373 6.915 1.00 0.00 H new ATOM 0 HA GLU A 18 0.865 -10.989 7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.368 -9.062 6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.720 -8.194 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.822 -9.167 8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.545 -10.008 9.676 1.00 0.00 H new ATOM 296 N SER A 19 -0.643 -8.958 9.447 1.00 0.00 N ATOM 297 CA SER A 19 -1.297 -8.878 10.741 1.00 0.00 C ATOM 298 C SER A 19 -2.805 -9.070 10.590 1.00 0.00 C ATOM 299 O SER A 19 -3.335 -9.043 9.478 1.00 0.00 O ATOM 300 CB SER A 19 -0.990 -7.529 11.400 1.00 0.00 C ATOM 301 OG SER A 19 -1.465 -7.487 12.733 1.00 0.00 O ATOM 0 H SER A 19 -0.691 -8.099 8.899 1.00 0.00 H new ATOM 0 HA SER A 19 -0.914 -9.675 11.379 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.086 -7.353 11.389 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.450 -6.727 10.823 1.00 0.00 H new ATOM 0 HG SER A 19 -2.233 -6.881 12.788 1.00 0.00 H new ATOM 307 N GLN A 20 -3.493 -9.256 11.710 1.00 0.00 N ATOM 308 CA GLN A 20 -4.936 -9.459 11.710 1.00 0.00 C ATOM 309 C GLN A 20 -5.662 -8.157 11.362 1.00 0.00 C ATOM 310 O GLN A 20 -6.807 -8.169 10.908 1.00 0.00 O ATOM 311 CB GLN A 20 -5.384 -9.966 13.080 1.00 0.00 C ATOM 312 CG GLN A 20 -6.865 -10.286 13.168 1.00 0.00 C ATOM 313 CD GLN A 20 -7.292 -10.632 14.579 1.00 0.00 C ATOM 314 OE1 GLN A 20 -7.676 -9.753 15.352 1.00 0.00 O ATOM 315 NE2 GLN A 20 -7.228 -11.907 14.926 1.00 0.00 N ATOM 0 H GLN A 20 -3.070 -9.270 12.638 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.188 -10.203 10.954 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.814 -10.862 13.328 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.140 -9.215 13.831 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.441 -9.431 12.815 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.095 -11.121 12.506 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.904 -12.603 14.254 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.503 -12.194 15.865 1.00 0.00 H new ATOM 324 N ASP A 21 -4.981 -7.038 11.581 1.00 0.00 N ATOM 325 CA ASP A 21 -5.530 -5.720 11.269 1.00 0.00 C ATOM 326 C ASP A 21 -5.725 -5.574 9.769 1.00 0.00 C ATOM 327 O ASP A 21 -6.676 -4.951 9.304 1.00 0.00 O ATOM 328 CB ASP A 21 -4.579 -4.611 11.742 1.00 0.00 C ATOM 329 CG ASP A 21 -4.120 -4.784 13.173 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.102 -5.481 13.392 1.00 0.00 O ATOM 331 OD2 ASP A 21 -4.758 -4.221 14.084 1.00 0.00 O ATOM 0 H ASP A 21 -4.041 -7.016 11.976 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.487 -5.628 11.783 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.707 -4.587 11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.078 -3.647 11.642 1.00 0.00 H new ATOM 336 N GLU A 22 -4.816 -6.179 9.027 1.00 0.00 N ATOM 337 CA GLU A 22 -4.738 -5.994 7.592 1.00 0.00 C ATOM 338 C GLU A 22 -5.613 -7.007 6.863 1.00 0.00 C ATOM 339 O GLU A 22 -5.977 -8.045 7.418 1.00 0.00 O ATOM 340 CB GLU A 22 -3.283 -6.132 7.164 1.00 0.00 C ATOM 341 CG GLU A 22 -2.341 -5.328 8.045 1.00 0.00 C ATOM 342 CD GLU A 22 -0.884 -5.672 7.825 1.00 0.00 C ATOM 343 OE1 GLU A 22 -0.559 -6.872 7.752 1.00 0.00 O ATOM 344 OE2 GLU A 22 -0.057 -4.745 7.737 1.00 0.00 O ATOM 0 H GLU A 22 -4.111 -6.813 9.404 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.106 -5.001 7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.996 -7.183 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.179 -5.803 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.490 -4.266 7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.595 -5.501 9.091 1.00 0.00 H new ATOM 351 N LEU A 23 -5.946 -6.701 5.621 1.00 0.00 N ATOM 352 CA LEU A 23 -6.816 -7.555 4.831 1.00 0.00 C ATOM 353 C LEU A 23 -6.158 -7.914 3.500 1.00 0.00 C ATOM 354 O LEU A 23 -5.762 -7.034 2.735 1.00 0.00 O ATOM 355 CB LEU A 23 -8.152 -6.844 4.591 1.00 0.00 C ATOM 356 CG LEU A 23 -9.195 -7.633 3.798 1.00 0.00 C ATOM 357 CD1 LEU A 23 -9.602 -8.894 4.548 1.00 0.00 C ATOM 358 CD2 LEU A 23 -10.407 -6.758 3.518 1.00 0.00 C ATOM 0 H LEU A 23 -5.625 -5.863 5.136 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.995 -8.480 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.581 -6.582 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.955 -5.909 4.066 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.756 -7.935 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.345 -9.440 3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.726 -9.525 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.027 -8.622 5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.145 -7.328 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.846 -6.431 4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.101 -5.887 2.939 1.00 0.00 H new ATOM 370 N THR A 24 -6.031 -9.209 3.243 1.00 0.00 N ATOM 371 CA THR A 24 -5.479 -9.695 1.989 1.00 0.00 C ATOM 372 C THR A 24 -6.464 -9.464 0.846 1.00 0.00 C ATOM 373 O THR A 24 -7.590 -9.970 0.865 1.00 0.00 O ATOM 374 CB THR A 24 -5.124 -11.194 2.085 1.00 0.00 C ATOM 375 OG1 THR A 24 -4.155 -11.397 3.123 1.00 0.00 O ATOM 376 CG2 THR A 24 -4.572 -11.722 0.766 1.00 0.00 C ATOM 0 H THR A 24 -6.306 -9.946 3.893 1.00 0.00 H new ATOM 0 HA THR A 24 -4.565 -9.137 1.787 1.00 0.00 H new ATOM 0 HB THR A 24 -6.038 -11.741 2.316 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.934 -12.350 3.182 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.333 -12.780 0.869 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.318 -11.594 -0.018 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.670 -11.170 0.502 1.00 0.00 H new ATOM 384 N ILE A 25 -6.035 -8.695 -0.140 1.00 0.00 N ATOM 385 CA ILE A 25 -6.889 -8.325 -1.258 1.00 0.00 C ATOM 386 C ILE A 25 -6.260 -8.732 -2.582 1.00 0.00 C ATOM 387 O ILE A 25 -5.038 -8.862 -2.686 1.00 0.00 O ATOM 388 CB ILE A 25 -7.169 -6.806 -1.273 1.00 0.00 C ATOM 389 CG1 ILE A 25 -5.854 -6.024 -1.156 1.00 0.00 C ATOM 390 CG2 ILE A 25 -8.127 -6.432 -0.149 1.00 0.00 C ATOM 391 CD1 ILE A 25 -6.027 -4.522 -1.117 1.00 0.00 C ATOM 0 H ILE A 25 -5.091 -8.311 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.832 -8.856 -1.130 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.640 -6.543 -2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.334 -6.342 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.214 -6.283 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.314 -5.359 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.067 -6.968 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.685 -6.702 0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.050 -4.045 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.517 -4.188 -2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.639 -4.248 -0.257 1.00 0.00 H new ATOM 403 N LYS A 26 -7.100 -8.955 -3.581 1.00 0.00 N ATOM 404 CA LYS A 26 -6.633 -9.287 -4.914 1.00 0.00 C ATOM 405 C LYS A 26 -7.269 -8.348 -5.925 1.00 0.00 C ATOM 406 O LYS A 26 -8.391 -7.876 -5.717 1.00 0.00 O ATOM 407 CB LYS A 26 -6.972 -10.736 -5.264 1.00 0.00 C ATOM 408 CG LYS A 26 -6.501 -11.734 -4.226 1.00 0.00 C ATOM 409 CD LYS A 26 -6.825 -13.156 -4.630 1.00 0.00 C ATOM 410 CE LYS A 26 -6.670 -14.108 -3.462 1.00 0.00 C ATOM 411 NZ LYS A 26 -7.616 -13.783 -2.362 1.00 0.00 N ATOM 0 H LYS A 26 -8.115 -8.911 -3.490 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.549 -9.173 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.051 -10.830 -5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.522 -10.984 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.425 -11.632 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.971 -11.512 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.846 -13.205 -5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.168 -13.464 -5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.841 -15.130 -3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.647 -14.063 -3.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.798 -14.637 -1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.202 -13.047 -1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.511 -13.437 -2.764 1.00 0.00 H new ATOM 425 N SER A 27 -6.553 -8.076 -7.007 1.00 0.00 N ATOM 426 CA SER A 27 -7.042 -7.189 -8.052 1.00 0.00 C ATOM 427 C SER A 27 -8.401 -7.664 -8.560 1.00 0.00 C ATOM 428 O SER A 27 -8.526 -8.770 -9.090 1.00 0.00 O ATOM 429 CB SER A 27 -6.039 -7.137 -9.210 1.00 0.00 C ATOM 430 OG SER A 27 -4.723 -6.901 -8.737 1.00 0.00 O ATOM 0 H SER A 27 -5.625 -8.460 -7.184 1.00 0.00 H new ATOM 0 HA SER A 27 -7.155 -6.189 -7.634 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.067 -8.077 -9.762 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.325 -6.349 -9.907 1.00 0.00 H new ATOM 0 HG SER A 27 -4.291 -7.756 -8.531 1.00 0.00 H new ATOM 436 N GLY A 28 -9.422 -6.844 -8.371 1.00 0.00 N ATOM 437 CA GLY A 28 -10.740 -7.194 -8.851 1.00 0.00 C ATOM 438 C GLY A 28 -11.717 -7.503 -7.736 1.00 0.00 C ATOM 439 O GLY A 28 -12.916 -7.637 -7.984 1.00 0.00 O ATOM 0 H GLY A 28 -9.362 -5.944 -7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.131 -6.373 -9.451 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.662 -8.060 -9.508 1.00 0.00 H new ATOM 443 N ASP A 29 -11.221 -7.625 -6.509 1.00 0.00 N ATOM 444 CA ASP A 29 -12.102 -7.853 -5.365 1.00 0.00 C ATOM 445 C ASP A 29 -12.972 -6.629 -5.114 1.00 0.00 C ATOM 446 O ASP A 29 -12.474 -5.507 -5.010 1.00 0.00 O ATOM 447 CB ASP A 29 -11.314 -8.198 -4.094 1.00 0.00 C ATOM 448 CG ASP A 29 -10.989 -9.677 -3.979 1.00 0.00 C ATOM 449 OD1 ASP A 29 -11.861 -10.512 -4.312 1.00 0.00 O ATOM 450 OD2 ASP A 29 -9.864 -10.016 -3.554 1.00 0.00 O ATOM 0 H ASP A 29 -10.228 -7.571 -6.281 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.734 -8.706 -5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.386 -7.626 -4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.890 -7.889 -3.221 1.00 0.00 H new ATOM 455 N LYS A 30 -14.275 -6.850 -5.045 1.00 0.00 N ATOM 456 CA LYS A 30 -15.219 -5.777 -4.780 1.00 0.00 C ATOM 457 C LYS A 30 -15.228 -5.476 -3.284 1.00 0.00 C ATOM 458 O LYS A 30 -15.404 -6.387 -2.471 1.00 0.00 O ATOM 459 CB LYS A 30 -16.623 -6.187 -5.241 1.00 0.00 C ATOM 460 CG LYS A 30 -17.446 -5.044 -5.817 1.00 0.00 C ATOM 461 CD LYS A 30 -16.990 -4.680 -7.224 1.00 0.00 C ATOM 462 CE LYS A 30 -17.239 -5.821 -8.205 1.00 0.00 C ATOM 463 NZ LYS A 30 -16.761 -5.494 -9.574 1.00 0.00 N ATOM 0 H LYS A 30 -14.704 -7.767 -5.169 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.919 -4.885 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.532 -6.970 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -17.160 -6.617 -4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -18.499 -5.326 -5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.362 -4.171 -5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.519 -3.788 -7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.928 -4.435 -7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.735 -6.720 -7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.305 -6.045 -8.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.950 -6.296 -10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.260 -4.651 -9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.739 -5.306 -9.549 1.00 0.00 H new ATOM 477 N VAL A 31 -15.034 -4.217 -2.911 1.00 0.00 N ATOM 478 CA VAL A 31 -14.947 -3.863 -1.499 1.00 0.00 C ATOM 479 C VAL A 31 -15.886 -2.719 -1.127 1.00 0.00 C ATOM 480 O VAL A 31 -16.231 -1.876 -1.957 1.00 0.00 O ATOM 481 CB VAL A 31 -13.506 -3.479 -1.084 1.00 0.00 C ATOM 482 CG1 VAL A 31 -12.593 -4.689 -1.116 1.00 0.00 C ATOM 483 CG2 VAL A 31 -12.949 -2.382 -1.978 1.00 0.00 C ATOM 0 H VAL A 31 -14.935 -3.433 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 31 -15.251 -4.759 -0.957 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.550 -3.101 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.586 -4.393 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.967 -5.445 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.569 -5.100 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.936 -2.134 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.932 -2.728 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.580 -1.496 -1.903 1.00 0.00 H new ATOM 493 N TYR A 32 -16.323 -2.729 0.122 1.00 0.00 N ATOM 494 CA TYR A 32 -17.038 -1.601 0.700 1.00 0.00 C ATOM 495 C TYR A 32 -16.059 -0.735 1.471 1.00 0.00 C ATOM 496 O TYR A 32 -15.277 -1.248 2.273 1.00 0.00 O ATOM 497 CB TYR A 32 -18.145 -2.072 1.646 1.00 0.00 C ATOM 498 CG TYR A 32 -19.312 -2.733 0.959 1.00 0.00 C ATOM 499 CD1 TYR A 32 -20.161 -1.999 0.140 1.00 0.00 C ATOM 500 CD2 TYR A 32 -19.577 -4.084 1.136 1.00 0.00 C ATOM 501 CE1 TYR A 32 -21.237 -2.593 -0.486 1.00 0.00 C ATOM 502 CE2 TYR A 32 -20.653 -4.687 0.513 1.00 0.00 C ATOM 503 CZ TYR A 32 -21.481 -3.936 -0.295 1.00 0.00 C ATOM 504 OH TYR A 32 -22.552 -4.530 -0.920 1.00 0.00 O ATOM 0 H TYR A 32 -16.194 -3.514 0.761 1.00 0.00 H new ATOM 0 HA TYR A 32 -17.497 -1.032 -0.109 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -17.718 -2.772 2.365 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -18.510 -1.216 2.213 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -19.975 -0.946 -0.009 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -18.932 -4.673 1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -21.885 -2.009 -1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -20.844 -5.740 0.658 1.00 0.00 H new ATOM 0 HH TYR A 32 -22.584 -5.480 -0.682 1.00 0.00 H new ATOM 514 N ILE A 33 -16.094 0.562 1.234 1.00 0.00 N ATOM 515 CA ILE A 33 -15.198 1.472 1.923 1.00 0.00 C ATOM 516 C ILE A 33 -15.863 1.983 3.192 1.00 0.00 C ATOM 517 O ILE A 33 -16.824 2.742 3.136 1.00 0.00 O ATOM 518 CB ILE A 33 -14.793 2.667 1.031 1.00 0.00 C ATOM 519 CG1 ILE A 33 -14.194 2.165 -0.286 1.00 0.00 C ATOM 520 CG2 ILE A 33 -13.797 3.560 1.762 1.00 0.00 C ATOM 521 CD1 ILE A 33 -13.805 3.272 -1.242 1.00 0.00 C ATOM 0 H ILE A 33 -16.730 1.008 0.573 1.00 0.00 H new ATOM 0 HA ILE A 33 -14.291 0.920 2.172 1.00 0.00 H new ATOM 0 HB ILE A 33 -15.684 3.254 0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.314 1.561 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.915 1.511 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.521 4.397 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -14.251 3.938 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -12.906 2.984 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -13.389 2.838 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -14.686 3.863 -1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -13.060 3.913 -0.772 1.00 0.00 H new ATOM 533 N LEU A 34 -15.359 1.548 4.330 1.00 0.00 N ATOM 534 CA LEU A 34 -15.931 1.939 5.607 1.00 0.00 C ATOM 535 C LEU A 34 -15.442 3.331 5.987 1.00 0.00 C ATOM 536 O LEU A 34 -16.174 4.315 5.864 1.00 0.00 O ATOM 537 CB LEU A 34 -15.557 0.925 6.693 1.00 0.00 C ATOM 538 CG LEU A 34 -15.828 -0.540 6.339 1.00 0.00 C ATOM 539 CD1 LEU A 34 -15.421 -1.452 7.485 1.00 0.00 C ATOM 540 CD2 LEU A 34 -17.293 -0.747 5.988 1.00 0.00 C ATOM 0 H LEU A 34 -14.555 0.924 4.398 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.017 1.959 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -14.497 1.037 6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.107 1.170 7.601 1.00 0.00 H new ATOM 0 HG LEU A 34 -15.228 -0.795 5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -15.621 -2.489 7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.357 -1.329 7.688 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -15.992 -1.193 8.376 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -17.463 -1.795 5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.914 -0.470 6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.554 -0.124 5.132 1.00 0.00 H new ATOM 552 N ASP A 35 -14.191 3.410 6.411 1.00 0.00 N ATOM 553 CA ASP A 35 -13.588 4.676 6.800 1.00 0.00 C ATOM 554 C ASP A 35 -12.355 4.954 5.957 1.00 0.00 C ATOM 555 O ASP A 35 -11.545 4.051 5.720 1.00 0.00 O ATOM 556 CB ASP A 35 -13.225 4.667 8.288 1.00 0.00 C ATOM 557 CG ASP A 35 -14.408 5.002 9.176 1.00 0.00 C ATOM 558 OD1 ASP A 35 -15.186 4.090 9.514 1.00 0.00 O ATOM 559 OD2 ASP A 35 -14.559 6.188 9.547 1.00 0.00 O ATOM 0 H ASP A 35 -13.569 2.606 6.495 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.315 5.470 6.629 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.838 3.684 8.559 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.425 5.385 8.468 1.00 0.00 H new ATOM 564 N ASP A 36 -12.217 6.193 5.498 1.00 0.00 N ATOM 565 CA ASP A 36 -11.121 6.556 4.603 1.00 0.00 C ATOM 566 C ASP A 36 -10.349 7.784 5.091 1.00 0.00 C ATOM 567 O ASP A 36 -9.177 7.677 5.417 1.00 0.00 O ATOM 568 CB ASP A 36 -11.624 6.768 3.160 1.00 0.00 C ATOM 569 CG ASP A 36 -12.879 7.623 3.043 1.00 0.00 C ATOM 570 OD1 ASP A 36 -13.242 8.327 4.009 1.00 0.00 O ATOM 571 OD2 ASP A 36 -13.526 7.584 1.977 1.00 0.00 O ATOM 0 H ASP A 36 -12.847 6.961 5.729 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.426 5.716 4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.829 7.232 2.577 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.821 5.794 2.712 1.00 0.00 H new ATOM 576 N LYS A 37 -11.018 8.930 5.171 1.00 0.00 N ATOM 577 CA LYS A 37 -10.361 10.218 5.444 1.00 0.00 C ATOM 578 C LYS A 37 -9.495 10.204 6.709 1.00 0.00 C ATOM 579 O LYS A 37 -8.540 10.977 6.826 1.00 0.00 O ATOM 580 CB LYS A 37 -11.408 11.323 5.579 1.00 0.00 C ATOM 581 CG LYS A 37 -12.299 11.485 4.361 1.00 0.00 C ATOM 582 CD LYS A 37 -13.218 12.685 4.512 1.00 0.00 C ATOM 583 CE LYS A 37 -14.217 12.781 3.371 1.00 0.00 C ATOM 584 NZ LYS A 37 -13.550 12.813 2.043 1.00 0.00 N ATOM 0 H LYS A 37 -12.028 8.999 5.050 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.701 10.406 4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.033 11.113 6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.900 12.268 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.683 11.604 3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.894 10.583 4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.754 12.615 5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.622 13.597 4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.898 11.931 3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.821 13.680 3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.252 13.031 1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.810 13.544 2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.121 11.886 1.848 1.00 0.00 H new ATOM 598 N LYS A 38 -9.836 9.336 7.650 1.00 0.00 N ATOM 599 CA LYS A 38 -9.123 9.258 8.921 1.00 0.00 C ATOM 600 C LYS A 38 -7.726 8.658 8.754 1.00 0.00 C ATOM 601 O LYS A 38 -6.853 8.858 9.600 1.00 0.00 O ATOM 602 CB LYS A 38 -9.947 8.457 9.928 1.00 0.00 C ATOM 603 CG LYS A 38 -11.119 9.248 10.479 1.00 0.00 C ATOM 604 CD LYS A 38 -12.366 8.396 10.658 1.00 0.00 C ATOM 605 CE LYS A 38 -12.154 7.255 11.638 1.00 0.00 C ATOM 606 NZ LYS A 38 -13.427 6.548 11.931 1.00 0.00 N ATOM 0 H LYS A 38 -10.605 8.672 7.559 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.989 10.272 9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.317 7.550 9.450 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.305 8.144 10.751 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.840 9.683 11.439 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.342 10.076 9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.185 9.025 11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.667 7.990 9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.431 6.550 11.227 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.730 7.643 12.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.232 5.543 12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.875 6.973 12.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.067 6.633 11.115 1.00 0.00 H new ATOM 620 N SER A 39 -7.509 7.953 7.654 1.00 0.00 N ATOM 621 CA SER A 39 -6.212 7.364 7.367 1.00 0.00 C ATOM 622 C SER A 39 -5.755 7.764 5.968 1.00 0.00 C ATOM 623 O SER A 39 -6.566 8.135 5.123 1.00 0.00 O ATOM 624 CB SER A 39 -6.285 5.842 7.486 1.00 0.00 C ATOM 625 OG SER A 39 -6.744 5.450 8.770 1.00 0.00 O ATOM 0 H SER A 39 -8.219 7.775 6.943 1.00 0.00 H new ATOM 0 HA SER A 39 -5.488 7.735 8.092 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.953 5.446 6.721 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.300 5.412 7.302 1.00 0.00 H new ATOM 0 HG SER A 39 -6.895 4.482 8.782 1.00 0.00 H new ATOM 631 N LYS A 40 -4.460 7.707 5.726 1.00 0.00 N ATOM 632 CA LYS A 40 -3.932 8.074 4.421 1.00 0.00 C ATOM 633 C LYS A 40 -3.073 6.943 3.874 1.00 0.00 C ATOM 634 O LYS A 40 -2.490 7.038 2.793 1.00 0.00 O ATOM 635 CB LYS A 40 -3.127 9.371 4.539 1.00 0.00 C ATOM 636 CG LYS A 40 -2.907 10.088 3.219 1.00 0.00 C ATOM 637 CD LYS A 40 -2.248 11.436 3.439 1.00 0.00 C ATOM 638 CE LYS A 40 -2.105 12.208 2.143 1.00 0.00 C ATOM 639 NZ LYS A 40 -1.486 13.539 2.366 1.00 0.00 N ATOM 0 H LYS A 40 -3.758 7.414 6.406 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.755 8.242 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.642 10.044 5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.158 9.145 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.283 9.476 2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.862 10.224 2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.838 12.019 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.265 11.292 3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.496 11.636 1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.085 12.334 1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.403 14.040 1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.080 14.094 3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.540 13.417 2.781 1.00 0.00 H new ATOM 653 N ASP A 41 -3.021 5.866 4.635 1.00 0.00 N ATOM 654 CA ASP A 41 -2.201 4.716 4.308 1.00 0.00 C ATOM 655 C ASP A 41 -3.035 3.439 4.262 1.00 0.00 C ATOM 656 O ASP A 41 -2.993 2.698 3.277 1.00 0.00 O ATOM 657 CB ASP A 41 -1.059 4.572 5.325 1.00 0.00 C ATOM 658 CG ASP A 41 -1.463 4.940 6.749 1.00 0.00 C ATOM 659 OD1 ASP A 41 -2.669 4.855 7.083 1.00 0.00 O ATOM 660 OD2 ASP A 41 -0.572 5.346 7.526 1.00 0.00 O ATOM 0 H ASP A 41 -3.549 5.764 5.502 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.775 4.875 3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.699 3.543 5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.227 5.205 5.017 1.00 0.00 H new ATOM 665 N TRP A 42 -3.797 3.189 5.318 1.00 0.00 N ATOM 666 CA TRP A 42 -4.610 1.983 5.410 1.00 0.00 C ATOM 667 C TRP A 42 -6.076 2.334 5.615 1.00 0.00 C ATOM 668 O TRP A 42 -6.446 2.950 6.612 1.00 0.00 O ATOM 669 CB TRP A 42 -4.122 1.093 6.556 1.00 0.00 C ATOM 670 CG TRP A 42 -2.717 0.606 6.375 1.00 0.00 C ATOM 671 CD1 TRP A 42 -1.575 1.307 6.610 1.00 0.00 C ATOM 672 CD2 TRP A 42 -2.306 -0.687 5.923 1.00 0.00 C ATOM 673 NE1 TRP A 42 -0.480 0.536 6.328 1.00 0.00 N ATOM 674 CE2 TRP A 42 -0.900 -0.695 5.905 1.00 0.00 C ATOM 675 CE3 TRP A 42 -2.988 -1.838 5.529 1.00 0.00 C ATOM 676 CZ2 TRP A 42 -0.166 -1.807 5.507 1.00 0.00 C ATOM 677 CZ3 TRP A 42 -2.259 -2.941 5.137 1.00 0.00 C ATOM 678 CH2 TRP A 42 -0.861 -2.919 5.130 1.00 0.00 C ATOM 0 H TRP A 42 -3.869 3.807 6.126 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.510 1.437 4.472 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.188 1.649 7.491 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.787 0.234 6.648 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.538 2.325 6.968 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.492 0.832 6.419 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.068 -1.865 5.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.914 -1.791 5.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.777 -3.838 4.830 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.320 -3.801 4.820 1.00 0.00 H new ATOM 689 N TRP A 43 -6.906 1.938 4.668 1.00 0.00 N ATOM 690 CA TRP A 43 -8.330 2.220 4.738 1.00 0.00 C ATOM 691 C TRP A 43 -9.108 0.996 5.184 1.00 0.00 C ATOM 692 O TRP A 43 -8.646 -0.136 5.037 1.00 0.00 O ATOM 693 CB TRP A 43 -8.853 2.699 3.385 1.00 0.00 C ATOM 694 CG TRP A 43 -8.497 4.119 3.084 1.00 0.00 C ATOM 695 CD1 TRP A 43 -7.932 5.018 3.939 1.00 0.00 C ATOM 696 CD2 TRP A 43 -8.698 4.810 1.847 1.00 0.00 C ATOM 697 NE1 TRP A 43 -7.764 6.225 3.312 1.00 0.00 N ATOM 698 CE2 TRP A 43 -8.230 6.126 2.025 1.00 0.00 C ATOM 699 CE3 TRP A 43 -9.227 4.444 0.605 1.00 0.00 C ATOM 700 CZ2 TRP A 43 -8.279 7.076 1.010 1.00 0.00 C ATOM 701 CZ3 TRP A 43 -9.274 5.387 -0.403 1.00 0.00 C ATOM 702 CH2 TRP A 43 -8.802 6.689 -0.195 1.00 0.00 C ATOM 0 H TRP A 43 -6.619 1.419 3.839 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.474 3.011 5.474 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.453 2.057 2.600 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.937 2.591 3.363 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.657 4.809 4.962 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.359 7.061 3.733 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.592 3.442 0.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -7.918 8.082 1.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.681 5.116 -1.366 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.852 7.404 -1.003 1.00 0.00 H new ATOM 713 N MET A 44 -10.293 1.235 5.728 1.00 0.00 N ATOM 714 CA MET A 44 -11.168 0.159 6.165 1.00 0.00 C ATOM 715 C MET A 44 -12.030 -0.303 5.003 1.00 0.00 C ATOM 716 O MET A 44 -12.878 0.447 4.521 1.00 0.00 O ATOM 717 CB MET A 44 -12.072 0.638 7.304 1.00 0.00 C ATOM 718 CG MET A 44 -11.326 1.062 8.558 1.00 0.00 C ATOM 719 SD MET A 44 -10.719 -0.338 9.519 1.00 0.00 S ATOM 720 CE MET A 44 -12.259 -1.140 9.961 1.00 0.00 C ATOM 0 H MET A 44 -10.671 2.170 5.877 1.00 0.00 H new ATOM 0 HA MET A 44 -10.553 -0.668 6.520 1.00 0.00 H new ATOM 0 HB2 MET A 44 -12.670 1.478 6.949 1.00 0.00 H new ATOM 0 HB3 MET A 44 -12.767 -0.161 7.561 1.00 0.00 H new ATOM 0 HG2 MET A 44 -10.485 1.696 8.278 1.00 0.00 H new ATOM 0 HG3 MET A 44 -11.986 1.665 9.181 1.00 0.00 H new ATOM 0 HE1 MET A 44 -12.133 -1.676 10.902 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.041 -0.389 10.073 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.541 -1.844 9.178 1.00 0.00 H new ATOM 730 N CYS A 45 -11.806 -1.515 4.535 1.00 0.00 N ATOM 731 CA CYS A 45 -12.601 -2.056 3.443 1.00 0.00 C ATOM 732 C CYS A 45 -13.129 -3.440 3.787 1.00 0.00 C ATOM 733 O CYS A 45 -12.510 -4.177 4.555 1.00 0.00 O ATOM 734 CB CYS A 45 -11.784 -2.101 2.152 1.00 0.00 C ATOM 735 SG CYS A 45 -11.314 -0.468 1.532 1.00 0.00 S ATOM 0 H CYS A 45 -11.085 -2.143 4.889 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.454 -1.396 3.289 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.882 -2.688 2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -12.360 -2.619 1.385 1.00 0.00 H new ATOM 0 HG CYS A 45 -11.704 0.444 2.372 1.00 0.00 H new ATOM 741 N GLN A 46 -14.289 -3.768 3.239 1.00 0.00 N ATOM 742 CA GLN A 46 -14.897 -5.074 3.444 1.00 0.00 C ATOM 743 C GLN A 46 -15.139 -5.758 2.104 1.00 0.00 C ATOM 744 O GLN A 46 -15.785 -5.197 1.220 1.00 0.00 O ATOM 745 CB GLN A 46 -16.215 -4.939 4.211 1.00 0.00 C ATOM 746 CG GLN A 46 -16.906 -6.269 4.469 1.00 0.00 C ATOM 747 CD GLN A 46 -18.214 -6.121 5.226 1.00 0.00 C ATOM 748 OE1 GLN A 46 -18.383 -5.206 6.031 1.00 0.00 O ATOM 749 NE2 GLN A 46 -19.150 -7.019 4.968 1.00 0.00 N ATOM 0 H GLN A 46 -14.832 -3.142 2.644 1.00 0.00 H new ATOM 0 HA GLN A 46 -14.213 -5.684 4.034 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -16.022 -4.448 5.165 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -16.888 -4.292 3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -17.098 -6.763 3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.236 -6.916 5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -18.971 -7.763 4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -20.051 -6.968 5.444 1.00 0.00 H new ATOM 758 N LEU A 47 -14.610 -6.964 1.957 1.00 0.00 N ATOM 759 CA LEU A 47 -14.787 -7.738 0.733 1.00 0.00 C ATOM 760 C LEU A 47 -16.246 -8.150 0.573 1.00 0.00 C ATOM 761 O LEU A 47 -16.797 -8.825 1.438 1.00 0.00 O ATOM 762 CB LEU A 47 -13.914 -8.997 0.762 1.00 0.00 C ATOM 763 CG LEU A 47 -12.408 -8.765 0.825 1.00 0.00 C ATOM 764 CD1 LEU A 47 -11.670 -10.085 0.977 1.00 0.00 C ATOM 765 CD2 LEU A 47 -11.917 -8.035 -0.413 1.00 0.00 C ATOM 0 H LEU A 47 -14.052 -7.431 2.672 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.490 -7.111 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -14.205 -9.597 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.134 -9.588 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.202 -8.143 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.597 -9.899 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.990 -10.577 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -11.893 -10.727 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.840 -7.882 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.142 -8.629 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -12.416 -7.069 -0.488 1.00 0.00 H new ATOM 777 N VAL A 48 -16.862 -7.760 -0.537 1.00 0.00 N ATOM 778 CA VAL A 48 -18.248 -8.136 -0.817 1.00 0.00 C ATOM 779 C VAL A 48 -18.350 -9.646 -1.047 1.00 0.00 C ATOM 780 O VAL A 48 -19.389 -10.266 -0.816 1.00 0.00 O ATOM 781 CB VAL A 48 -18.795 -7.394 -2.064 1.00 0.00 C ATOM 782 CG1 VAL A 48 -20.274 -7.687 -2.272 1.00 0.00 C ATOM 783 CG2 VAL A 48 -18.562 -5.895 -1.947 1.00 0.00 C ATOM 0 H VAL A 48 -16.427 -7.185 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 48 -18.847 -7.851 0.048 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.251 -7.761 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -20.630 -7.153 -3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -20.416 -8.758 -2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -20.836 -7.359 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -18.954 -5.396 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -19.072 -5.516 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -17.493 -5.698 -1.863 1.00 0.00 H new ATOM 793 N ASP A 49 -17.247 -10.230 -1.477 1.00 0.00 N ATOM 794 CA ASP A 49 -17.199 -11.643 -1.828 1.00 0.00 C ATOM 795 C ASP A 49 -16.860 -12.519 -0.617 1.00 0.00 C ATOM 796 O ASP A 49 -17.018 -13.740 -0.656 1.00 0.00 O ATOM 797 CB ASP A 49 -16.168 -11.834 -2.945 1.00 0.00 C ATOM 798 CG ASP A 49 -15.897 -13.285 -3.284 1.00 0.00 C ATOM 799 OD1 ASP A 49 -16.851 -14.016 -3.627 1.00 0.00 O ATOM 800 OD2 ASP A 49 -14.719 -13.693 -3.212 1.00 0.00 O ATOM 0 H ASP A 49 -16.359 -9.742 -1.594 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.184 -11.956 -2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -16.517 -11.320 -3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -15.233 -11.359 -2.649 1.00 0.00 H new ATOM 805 N SER A 50 -16.430 -11.900 0.472 1.00 0.00 N ATOM 806 CA SER A 50 -15.978 -12.665 1.628 1.00 0.00 C ATOM 807 C SER A 50 -16.692 -12.235 2.912 1.00 0.00 C ATOM 808 O SER A 50 -16.976 -13.062 3.776 1.00 0.00 O ATOM 809 CB SER A 50 -14.462 -12.520 1.790 1.00 0.00 C ATOM 810 OG SER A 50 -13.966 -13.371 2.807 1.00 0.00 O ATOM 0 H SER A 50 -16.384 -10.887 0.581 1.00 0.00 H new ATOM 0 HA SER A 50 -16.226 -13.712 1.452 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.970 -12.754 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.218 -11.485 2.029 1.00 0.00 H new ATOM 0 HG SER A 50 -12.996 -13.256 2.885 1.00 0.00 H new ATOM 816 N GLY A 51 -16.979 -10.947 3.041 1.00 0.00 N ATOM 817 CA GLY A 51 -17.609 -10.449 4.250 1.00 0.00 C ATOM 818 C GLY A 51 -16.590 -9.957 5.261 1.00 0.00 C ATOM 819 O GLY A 51 -16.947 -9.390 6.294 1.00 0.00 O ATOM 0 H GLY A 51 -16.788 -10.239 2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.289 -9.636 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.211 -11.240 4.697 1.00 0.00 H new ATOM 823 N LYS A 52 -15.318 -10.174 4.956 1.00 0.00 N ATOM 824 CA LYS A 52 -14.235 -9.768 5.841 1.00 0.00 C ATOM 825 C LYS A 52 -13.888 -8.298 5.655 1.00 0.00 C ATOM 826 O LYS A 52 -13.814 -7.804 4.529 1.00 0.00 O ATOM 827 CB LYS A 52 -12.987 -10.613 5.584 1.00 0.00 C ATOM 828 CG LYS A 52 -13.145 -12.075 5.959 1.00 0.00 C ATOM 829 CD LYS A 52 -11.841 -12.835 5.772 1.00 0.00 C ATOM 830 CE LYS A 52 -11.958 -14.277 6.240 1.00 0.00 C ATOM 831 NZ LYS A 52 -12.350 -14.367 7.673 1.00 0.00 N ATOM 0 H LYS A 52 -15.010 -10.631 4.098 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.578 -9.921 6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.726 -10.545 4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.153 -10.192 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.469 -12.154 6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -13.924 -12.528 5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.556 -12.816 4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.046 -12.336 6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.695 -14.798 5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.005 -14.785 6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.159 -15.327 8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.801 -13.679 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.364 -14.159 7.769 1.00 0.00 H new ATOM 845 N SER A 53 -13.679 -7.609 6.765 1.00 0.00 N ATOM 846 CA SER A 53 -13.234 -6.228 6.745 1.00 0.00 C ATOM 847 C SER A 53 -11.845 -6.116 7.365 1.00 0.00 C ATOM 848 O SER A 53 -11.438 -6.980 8.148 1.00 0.00 O ATOM 849 CB SER A 53 -14.233 -5.345 7.493 1.00 0.00 C ATOM 850 OG SER A 53 -14.697 -5.982 8.673 1.00 0.00 O ATOM 0 H SER A 53 -13.813 -7.991 7.701 1.00 0.00 H new ATOM 0 HA SER A 53 -13.178 -5.886 5.711 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.762 -4.396 7.750 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.078 -5.116 6.844 1.00 0.00 H new ATOM 0 HG SER A 53 -15.333 -5.395 9.133 1.00 0.00 H new ATOM 856 N GLY A 54 -11.117 -5.071 7.005 1.00 0.00 N ATOM 857 CA GLY A 54 -9.790 -4.873 7.551 1.00 0.00 C ATOM 858 C GLY A 54 -9.095 -3.683 6.930 1.00 0.00 C ATOM 859 O GLY A 54 -9.694 -2.962 6.129 1.00 0.00 O ATOM 0 H GLY A 54 -11.421 -4.356 6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.859 -4.731 8.629 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.192 -5.769 7.385 1.00 0.00 H new ATOM 863 N LEU A 55 -7.836 -3.476 7.299 1.00 0.00 N ATOM 864 CA LEU A 55 -7.054 -2.370 6.770 1.00 0.00 C ATOM 865 C LEU A 55 -6.371 -2.776 5.471 1.00 0.00 C ATOM 866 O LEU A 55 -5.653 -3.777 5.421 1.00 0.00 O ATOM 867 CB LEU A 55 -6.000 -1.900 7.786 1.00 0.00 C ATOM 868 CG LEU A 55 -6.517 -1.063 8.970 1.00 0.00 C ATOM 869 CD1 LEU A 55 -7.283 0.153 8.478 1.00 0.00 C ATOM 870 CD2 LEU A 55 -7.384 -1.895 9.903 1.00 0.00 C ATOM 0 H LEU A 55 -7.335 -4.064 7.966 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.737 -1.544 6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.493 -2.779 8.184 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.250 -1.314 7.254 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.649 -0.722 9.534 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.639 0.729 9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.627 0.775 7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.134 -0.171 7.879 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.732 -1.273 10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.242 -2.282 9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.800 -2.727 10.297 1.00 0.00 H new ATOM 882 N VAL A 56 -6.619 -2.012 4.423 1.00 0.00 N ATOM 883 CA VAL A 56 -5.987 -2.249 3.136 1.00 0.00 C ATOM 884 C VAL A 56 -5.275 -0.988 2.664 1.00 0.00 C ATOM 885 O VAL A 56 -5.642 0.118 3.065 1.00 0.00 O ATOM 886 CB VAL A 56 -7.012 -2.690 2.068 1.00 0.00 C ATOM 887 CG1 VAL A 56 -7.691 -3.989 2.471 1.00 0.00 C ATOM 888 CG2 VAL A 56 -8.046 -1.602 1.829 1.00 0.00 C ATOM 0 H VAL A 56 -7.258 -1.217 4.438 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.266 -3.055 3.268 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.472 -2.861 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.408 -4.278 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.941 -4.773 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.211 -3.849 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.757 -1.935 1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.576 -1.393 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.548 -0.696 1.484 1.00 0.00 H new ATOM 898 N PRO A 57 -4.236 -1.131 1.828 1.00 0.00 N ATOM 899 CA PRO A 57 -3.506 0.014 1.275 1.00 0.00 C ATOM 900 C PRO A 57 -4.433 0.995 0.562 1.00 0.00 C ATOM 901 O PRO A 57 -5.037 0.663 -0.457 1.00 0.00 O ATOM 902 CB PRO A 57 -2.536 -0.628 0.283 1.00 0.00 C ATOM 903 CG PRO A 57 -2.353 -2.018 0.784 1.00 0.00 C ATOM 904 CD PRO A 57 -3.682 -2.416 1.363 1.00 0.00 C ATOM 0 HA PRO A 57 -3.012 0.600 2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.941 -0.621 -0.729 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.588 -0.090 0.250 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.059 -2.690 -0.022 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.567 -2.063 1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.323 -2.886 0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.570 -3.127 2.181 1.00 0.00 H new ATOM 912 N ALA A 58 -4.523 2.202 1.111 1.00 0.00 N ATOM 913 CA ALA A 58 -5.413 3.241 0.597 1.00 0.00 C ATOM 914 C ALA A 58 -5.169 3.519 -0.880 1.00 0.00 C ATOM 915 O ALA A 58 -6.105 3.721 -1.650 1.00 0.00 O ATOM 916 CB ALA A 58 -5.228 4.520 1.400 1.00 0.00 C ATOM 0 H ALA A 58 -3.981 2.489 1.926 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.437 2.882 0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.893 5.292 1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.463 4.329 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.195 4.856 1.316 1.00 0.00 H new ATOM 922 N GLN A 59 -3.903 3.501 -1.269 1.00 0.00 N ATOM 923 CA GLN A 59 -3.506 3.823 -2.632 1.00 0.00 C ATOM 924 C GLN A 59 -3.942 2.728 -3.614 1.00 0.00 C ATOM 925 O GLN A 59 -3.925 2.924 -4.829 1.00 0.00 O ATOM 926 CB GLN A 59 -1.986 4.028 -2.680 1.00 0.00 C ATOM 927 CG GLN A 59 -1.449 4.446 -4.041 1.00 0.00 C ATOM 928 CD GLN A 59 0.022 4.817 -4.002 1.00 0.00 C ATOM 929 OE1 GLN A 59 0.752 4.604 -4.968 1.00 0.00 O ATOM 930 NE2 GLN A 59 0.466 5.386 -2.893 1.00 0.00 N ATOM 0 H GLN A 59 -3.125 3.264 -0.653 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.004 4.744 -2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.711 4.786 -1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.497 3.101 -2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.595 3.631 -4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.024 5.296 -4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.170 5.547 -2.112 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.445 5.664 -2.819 1.00 0.00 H new ATOM 939 N PHE A 60 -4.362 1.586 -3.085 1.00 0.00 N ATOM 940 CA PHE A 60 -4.733 0.451 -3.928 1.00 0.00 C ATOM 941 C PHE A 60 -6.234 0.434 -4.200 1.00 0.00 C ATOM 942 O PHE A 60 -6.714 -0.349 -5.024 1.00 0.00 O ATOM 943 CB PHE A 60 -4.310 -0.875 -3.278 1.00 0.00 C ATOM 944 CG PHE A 60 -2.822 -1.124 -3.268 1.00 0.00 C ATOM 945 CD1 PHE A 60 -1.922 -0.125 -3.611 1.00 0.00 C ATOM 946 CD2 PHE A 60 -2.327 -2.370 -2.913 1.00 0.00 C ATOM 947 CE1 PHE A 60 -0.561 -0.364 -3.596 1.00 0.00 C ATOM 948 CE2 PHE A 60 -0.968 -2.614 -2.898 1.00 0.00 C ATOM 949 CZ PHE A 60 -0.084 -1.610 -3.239 1.00 0.00 C ATOM 0 H PHE A 60 -4.455 1.419 -2.083 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.208 0.564 -4.877 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -4.675 -0.894 -2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.799 -1.695 -3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.289 0.851 -3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.013 -3.160 -2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.129 0.423 -3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.597 -3.589 -2.620 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.979 -1.799 -3.227 1.00 0.00 H new ATOM 959 N ILE A 61 -6.966 1.304 -3.518 1.00 0.00 N ATOM 960 CA ILE A 61 -8.419 1.336 -3.630 1.00 0.00 C ATOM 961 C ILE A 61 -8.873 2.485 -4.524 1.00 0.00 C ATOM 962 O ILE A 61 -8.340 3.593 -4.450 1.00 0.00 O ATOM 963 CB ILE A 61 -9.087 1.477 -2.242 1.00 0.00 C ATOM 964 CG1 ILE A 61 -8.657 0.329 -1.322 1.00 0.00 C ATOM 965 CG2 ILE A 61 -10.607 1.519 -2.368 1.00 0.00 C ATOM 966 CD1 ILE A 61 -9.028 -1.047 -1.839 1.00 0.00 C ATOM 0 H ILE A 61 -6.577 1.999 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.726 0.390 -4.076 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.758 2.419 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.577 0.374 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.112 0.473 -0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.052 1.618 -1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -10.898 2.370 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -10.959 0.598 -2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.690 -1.805 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -10.110 -1.114 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.551 -1.213 -2.805 1.00 0.00 H new ATOM 978 N GLU A 62 -9.839 2.209 -5.386 1.00 0.00 N ATOM 979 CA GLU A 62 -10.436 3.235 -6.222 1.00 0.00 C ATOM 980 C GLU A 62 -11.916 3.381 -5.876 1.00 0.00 C ATOM 981 O GLU A 62 -12.721 2.488 -6.158 1.00 0.00 O ATOM 982 CB GLU A 62 -10.264 2.881 -7.702 1.00 0.00 C ATOM 983 CG GLU A 62 -10.720 3.974 -8.656 1.00 0.00 C ATOM 984 CD GLU A 62 -9.889 5.240 -8.544 1.00 0.00 C ATOM 985 OE1 GLU A 62 -10.215 6.106 -7.705 1.00 0.00 O ATOM 986 OE2 GLU A 62 -8.916 5.390 -9.310 1.00 0.00 O ATOM 0 H GLU A 62 -10.227 1.276 -5.524 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.933 4.184 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.214 2.661 -7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.824 1.970 -7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.669 3.601 -9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.765 4.212 -8.455 1.00 0.00 H new ATOM 993 N PRO A 63 -12.291 4.489 -5.217 1.00 0.00 N ATOM 994 CA PRO A 63 -13.677 4.756 -4.836 1.00 0.00 C ATOM 995 C PRO A 63 -14.551 5.089 -6.042 1.00 0.00 C ATOM 996 O PRO A 63 -14.353 6.111 -6.702 1.00 0.00 O ATOM 997 CB PRO A 63 -13.579 5.971 -3.898 1.00 0.00 C ATOM 998 CG PRO A 63 -12.124 6.135 -3.601 1.00 0.00 C ATOM 999 CD PRO A 63 -11.392 5.562 -4.779 1.00 0.00 C ATOM 0 HA PRO A 63 -14.140 3.886 -4.371 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.985 6.865 -4.371 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.149 5.807 -2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.871 7.186 -3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.853 5.614 -2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -11.235 6.305 -5.561 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.410 5.181 -4.501 1.00 0.00 H new ATOM 1007 N VAL A 64 -15.526 4.233 -6.320 1.00 0.00 N ATOM 1008 CA VAL A 64 -16.408 4.427 -7.466 1.00 0.00 C ATOM 1009 C VAL A 64 -17.717 5.088 -7.031 1.00 0.00 C ATOM 1010 O VAL A 64 -18.517 5.519 -7.860 1.00 0.00 O ATOM 1011 CB VAL A 64 -16.713 3.084 -8.177 1.00 0.00 C ATOM 1012 CG1 VAL A 64 -17.643 2.223 -7.334 1.00 0.00 C ATOM 1013 CG2 VAL A 64 -17.293 3.319 -9.567 1.00 0.00 C ATOM 0 H VAL A 64 -15.727 3.398 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 64 -15.892 5.080 -8.170 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.773 2.546 -8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -17.842 1.286 -7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -17.173 2.012 -6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -18.581 2.754 -7.170 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -17.497 2.360 -10.043 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -18.219 3.887 -9.483 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -16.578 3.878 -10.170 1.00 0.00 H new ATOM 1152 N MET B 1 21.484 0.273 -8.190 1.00 0.00 N ATOM 1153 CA MET B 1 20.436 0.565 -9.195 1.00 0.00 C ATOM 1154 C MET B 1 19.504 1.636 -8.682 1.00 0.00 C ATOM 1155 O MET B 1 19.709 2.190 -7.610 1.00 0.00 O ATOM 1156 CB MET B 1 19.627 -0.692 -9.530 1.00 0.00 C ATOM 1157 CG MET B 1 19.056 -1.395 -8.318 1.00 0.00 C ATOM 1158 SD MET B 1 18.306 -2.983 -8.713 1.00 0.00 S ATOM 1159 CE MET B 1 17.783 -3.517 -7.084 1.00 0.00 C ATOM 0 H1 MET B 1 21.780 -0.720 -8.276 1.00 0.00 H new ATOM 0 H2 MET B 1 22.303 0.894 -8.352 1.00 0.00 H new ATOM 0 H3 MET B 1 21.106 0.440 -7.236 1.00 0.00 H new ATOM 0 HA MET B 1 20.932 0.914 -10.101 1.00 0.00 H new ATOM 0 HB2 MET B 1 18.810 -0.419 -10.198 1.00 0.00 H new ATOM 0 HB3 MET B 1 20.265 -1.388 -10.075 1.00 0.00 H new ATOM 0 HG2 MET B 1 19.849 -1.546 -7.586 1.00 0.00 H new ATOM 0 HG3 MET B 1 18.309 -0.753 -7.851 1.00 0.00 H new ATOM 0 HE1 MET B 1 17.969 -4.585 -6.974 1.00 0.00 H new ATOM 0 HE2 MET B 1 18.343 -2.971 -6.325 1.00 0.00 H new ATOM 0 HE3 MET B 1 16.718 -3.320 -6.961 1.00 0.00 H new ATOM 1171 N GLN B 2 18.469 1.911 -9.444 1.00 0.00 N ATOM 1172 CA GLN B 2 17.501 2.931 -9.064 1.00 0.00 C ATOM 1173 C GLN B 2 16.096 2.350 -9.031 1.00 0.00 C ATOM 1174 O GLN B 2 15.681 1.672 -9.969 1.00 0.00 O ATOM 1175 CB GLN B 2 17.554 4.115 -10.032 1.00 0.00 C ATOM 1176 CG GLN B 2 18.940 4.718 -10.181 1.00 0.00 C ATOM 1177 CD GLN B 2 18.934 5.984 -11.009 1.00 0.00 C ATOM 1178 OE1 GLN B 2 18.089 6.164 -11.885 1.00 0.00 O ATOM 1179 NE2 GLN B 2 19.890 6.856 -10.754 1.00 0.00 N ATOM 0 H GLN B 2 18.271 1.447 -10.330 1.00 0.00 H new ATOM 0 HA GLN B 2 17.758 3.284 -8.066 1.00 0.00 H new ATOM 0 HB2 GLN B 2 17.202 3.789 -11.011 1.00 0.00 H new ATOM 0 HB3 GLN B 2 16.866 4.887 -9.686 1.00 0.00 H new ATOM 0 HG2 GLN B 2 19.346 4.935 -9.193 1.00 0.00 H new ATOM 0 HG3 GLN B 2 19.603 3.987 -10.645 1.00 0.00 H new ATOM 0 HE21 GLN B 2 20.570 6.666 -10.018 1.00 0.00 H new ATOM 0 HE22 GLN B 2 19.949 7.720 -11.293 1.00 0.00 H new ATOM 1188 N ILE B 3 15.382 2.597 -7.944 1.00 0.00 N ATOM 1189 CA ILE B 3 14.000 2.152 -7.815 1.00 0.00 C ATOM 1190 C ILE B 3 13.075 3.347 -7.615 1.00 0.00 C ATOM 1191 O ILE B 3 13.508 4.398 -7.138 1.00 0.00 O ATOM 1192 CB ILE B 3 13.822 1.157 -6.644 1.00 0.00 C ATOM 1193 CG1 ILE B 3 14.311 1.771 -5.325 1.00 0.00 C ATOM 1194 CG2 ILE B 3 14.557 -0.144 -6.944 1.00 0.00 C ATOM 1195 CD1 ILE B 3 14.134 0.864 -4.124 1.00 0.00 C ATOM 0 H ILE B 3 15.737 3.105 -7.134 1.00 0.00 H new ATOM 0 HA ILE B 3 13.739 1.637 -8.739 1.00 0.00 H new ATOM 0 HB ILE B 3 12.760 0.937 -6.534 1.00 0.00 H new ATOM 0 HG12 ILE B 3 15.366 2.026 -5.423 1.00 0.00 H new ATOM 0 HG13 ILE B 3 13.773 2.702 -5.147 1.00 0.00 H new ATOM 0 HG21 ILE B 3 14.425 -0.837 -6.113 1.00 0.00 H new ATOM 0 HG22 ILE B 3 14.154 -0.588 -7.854 1.00 0.00 H new ATOM 0 HG23 ILE B 3 15.619 0.061 -7.080 1.00 0.00 H new ATOM 0 HD11 ILE B 3 14.503 1.368 -3.230 1.00 0.00 H new ATOM 0 HD12 ILE B 3 13.077 0.629 -3.998 1.00 0.00 H new ATOM 0 HD13 ILE B 3 14.695 -0.058 -4.278 1.00 0.00 H new ATOM 1207 N PHE B 4 11.813 3.192 -7.990 1.00 0.00 N ATOM 1208 CA PHE B 4 10.839 4.263 -7.850 1.00 0.00 C ATOM 1209 C PHE B 4 10.002 4.052 -6.601 1.00 0.00 C ATOM 1210 O PHE B 4 9.168 3.150 -6.549 1.00 0.00 O ATOM 1211 CB PHE B 4 9.919 4.333 -9.074 1.00 0.00 C ATOM 1212 CG PHE B 4 10.632 4.641 -10.360 1.00 0.00 C ATOM 1213 CD1 PHE B 4 11.129 3.623 -11.158 1.00 0.00 C ATOM 1214 CD2 PHE B 4 10.794 5.952 -10.776 1.00 0.00 C ATOM 1215 CE1 PHE B 4 11.775 3.909 -12.345 1.00 0.00 C ATOM 1216 CE2 PHE B 4 11.440 6.244 -11.960 1.00 0.00 C ATOM 1217 CZ PHE B 4 11.931 5.219 -12.747 1.00 0.00 C ATOM 0 H PHE B 4 11.440 2.333 -8.394 1.00 0.00 H new ATOM 0 HA PHE B 4 11.385 5.203 -7.768 1.00 0.00 H new ATOM 0 HB2 PHE B 4 9.398 3.381 -9.179 1.00 0.00 H new ATOM 0 HB3 PHE B 4 9.159 5.095 -8.901 1.00 0.00 H new ATOM 0 HD1 PHE B 4 11.010 2.595 -10.849 1.00 0.00 H new ATOM 0 HD2 PHE B 4 10.410 6.756 -10.166 1.00 0.00 H new ATOM 0 HE1 PHE B 4 12.158 3.107 -12.958 1.00 0.00 H new ATOM 0 HE2 PHE B 4 11.562 7.271 -12.271 1.00 0.00 H new ATOM 0 HZ PHE B 4 12.436 5.444 -13.675 1.00 0.00 H new ATOM 1227 N VAL B 5 10.237 4.869 -5.590 1.00 0.00 N ATOM 1228 CA VAL B 5 9.468 4.798 -4.363 1.00 0.00 C ATOM 1229 C VAL B 5 8.275 5.740 -4.443 1.00 0.00 C ATOM 1230 O VAL B 5 8.400 6.941 -4.207 1.00 0.00 O ATOM 1231 CB VAL B 5 10.327 5.143 -3.127 1.00 0.00 C ATOM 1232 CG1 VAL B 5 9.522 4.994 -1.844 1.00 0.00 C ATOM 1233 CG2 VAL B 5 11.575 4.271 -3.082 1.00 0.00 C ATOM 0 H VAL B 5 10.957 5.591 -5.596 1.00 0.00 H new ATOM 0 HA VAL B 5 9.119 3.772 -4.250 1.00 0.00 H new ATOM 0 HB VAL B 5 10.637 6.185 -3.211 1.00 0.00 H new ATOM 0 HG11 VAL B 5 10.151 5.243 -0.989 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.665 5.667 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL B 5 9.173 3.966 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL B 5 12.168 4.529 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL B 5 11.284 3.222 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL B 5 12.168 4.437 -3.981 1.00 0.00 H new ATOM 1243 N LYS B 6 7.130 5.192 -4.820 1.00 0.00 N ATOM 1244 CA LYS B 6 5.911 5.969 -4.951 1.00 0.00 C ATOM 1245 C LYS B 6 5.192 6.032 -3.611 1.00 0.00 C ATOM 1246 O LYS B 6 4.633 5.035 -3.147 1.00 0.00 O ATOM 1247 CB LYS B 6 4.995 5.352 -6.011 1.00 0.00 C ATOM 1248 CG LYS B 6 3.793 6.218 -6.353 1.00 0.00 C ATOM 1249 CD LYS B 6 2.833 5.514 -7.299 1.00 0.00 C ATOM 1250 CE LYS B 6 1.639 6.400 -7.631 1.00 0.00 C ATOM 1251 NZ LYS B 6 0.649 5.721 -8.512 1.00 0.00 N ATOM 0 H LYS B 6 7.021 4.202 -5.042 1.00 0.00 H new ATOM 0 HA LYS B 6 6.171 6.980 -5.265 1.00 0.00 H new ATOM 0 HB2 LYS B 6 5.572 5.171 -6.918 1.00 0.00 H new ATOM 0 HB3 LYS B 6 4.645 4.382 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS B 6 3.267 6.486 -5.437 1.00 0.00 H new ATOM 0 HG3 LYS B 6 4.134 7.148 -6.809 1.00 0.00 H new ATOM 0 HD2 LYS B 6 3.355 5.244 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS B 6 2.486 4.586 -6.845 1.00 0.00 H new ATOM 0 HE2 LYS B 6 1.148 6.704 -6.706 1.00 0.00 H new ATOM 0 HE3 LYS B 6 1.990 7.309 -8.119 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -0.143 6.367 -8.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 1.106 5.454 -9.407 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 0.291 4.867 -8.038 1.00 0.00 H new ATOM 1265 N THR B 7 5.218 7.196 -2.989 1.00 0.00 N ATOM 1266 CA THR B 7 4.612 7.377 -1.683 1.00 0.00 C ATOM 1267 C THR B 7 3.091 7.472 -1.784 1.00 0.00 C ATOM 1268 O THR B 7 2.529 7.522 -2.882 1.00 0.00 O ATOM 1269 CB THR B 7 5.157 8.642 -0.997 1.00 0.00 C ATOM 1270 OG1 THR B 7 4.912 9.789 -1.821 1.00 0.00 O ATOM 1271 CG2 THR B 7 6.647 8.513 -0.728 1.00 0.00 C ATOM 0 H THR B 7 5.655 8.035 -3.370 1.00 0.00 H new ATOM 0 HA THR B 7 4.870 6.503 -1.084 1.00 0.00 H new ATOM 0 HB THR B 7 4.642 8.763 -0.044 1.00 0.00 H new ATOM 0 HG1 THR B 7 4.337 10.421 -1.340 1.00 0.00 H new ATOM 0 HG21 THR B 7 7.009 9.419 -0.243 1.00 0.00 H new ATOM 0 HG22 THR B 7 6.827 7.657 -0.078 1.00 0.00 H new ATOM 0 HG23 THR B 7 7.176 8.370 -1.670 1.00 0.00 H new ATOM 1279 N LEU B 8 2.434 7.496 -0.629 1.00 0.00 N ATOM 1280 CA LEU B 8 0.980 7.616 -0.554 1.00 0.00 C ATOM 1281 C LEU B 8 0.505 8.920 -1.173 1.00 0.00 C ATOM 1282 O LEU B 8 -0.578 8.993 -1.746 1.00 0.00 O ATOM 1283 CB LEU B 8 0.534 7.590 0.902 1.00 0.00 C ATOM 1284 CG LEU B 8 0.983 6.379 1.707 1.00 0.00 C ATOM 1285 CD1 LEU B 8 0.827 6.666 3.186 1.00 0.00 C ATOM 1286 CD2 LEU B 8 0.178 5.152 1.313 1.00 0.00 C ATOM 0 H LEU B 8 2.892 7.433 0.280 1.00 0.00 H new ATOM 0 HA LEU B 8 0.550 6.778 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU B 8 0.907 8.489 1.393 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -0.555 7.639 0.931 1.00 0.00 H new ATOM 0 HG LEU B 8 2.033 6.178 1.494 1.00 0.00 H new ATOM 0 HD11 LEU B 8 1.149 5.798 3.761 1.00 0.00 H new ATOM 0 HD12 LEU B 8 1.438 7.527 3.456 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.219 6.880 3.407 1.00 0.00 H new ATOM 0 HD21 LEU B 8 0.512 4.295 1.898 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -0.879 5.333 1.506 1.00 0.00 H new ATOM 0 HD23 LEU B 8 0.324 4.946 0.253 1.00 0.00 H new ATOM 1298 N THR B 9 1.334 9.942 -1.052 1.00 0.00 N ATOM 1299 CA THR B 9 0.955 11.284 -1.438 1.00 0.00 C ATOM 1300 C THR B 9 1.177 11.517 -2.931 1.00 0.00 C ATOM 1301 O THR B 9 0.936 12.611 -3.443 1.00 0.00 O ATOM 1302 CB THR B 9 1.747 12.312 -0.610 1.00 0.00 C ATOM 1303 OG1 THR B 9 3.153 12.122 -0.807 1.00 0.00 O ATOM 1304 CG2 THR B 9 1.424 12.162 0.870 1.00 0.00 C ATOM 0 H THR B 9 2.283 9.863 -0.685 1.00 0.00 H new ATOM 0 HA THR B 9 -0.109 11.408 -1.238 1.00 0.00 H new ATOM 0 HB THR B 9 1.464 13.311 -0.940 1.00 0.00 H new ATOM 0 HG1 THR B 9 3.649 12.781 -0.278 1.00 0.00 H new ATOM 0 HG21 THR B 9 1.992 12.896 1.442 1.00 0.00 H new ATOM 0 HG22 THR B 9 0.358 12.324 1.028 1.00 0.00 H new ATOM 0 HG23 THR B 9 1.691 11.158 1.201 1.00 0.00 H new ATOM 1312 N GLY B 10 1.631 10.476 -3.622 1.00 0.00 N ATOM 1313 CA GLY B 10 1.808 10.558 -5.055 1.00 0.00 C ATOM 1314 C GLY B 10 3.158 11.117 -5.451 1.00 0.00 C ATOM 1315 O GLY B 10 3.301 11.697 -6.526 1.00 0.00 O ATOM 0 H GLY B 10 1.879 9.576 -3.211 1.00 0.00 H new ATOM 0 HA2 GLY B 10 1.691 9.565 -5.488 1.00 0.00 H new ATOM 0 HA3 GLY B 10 1.023 11.185 -5.478 1.00 0.00 H new ATOM 1319 N LYS B 11 4.148 10.955 -4.588 1.00 0.00 N ATOM 1320 CA LYS B 11 5.498 11.397 -4.898 1.00 0.00 C ATOM 1321 C LYS B 11 6.371 10.198 -5.251 1.00 0.00 C ATOM 1322 O LYS B 11 6.532 9.282 -4.444 1.00 0.00 O ATOM 1323 CB LYS B 11 6.098 12.157 -3.709 1.00 0.00 C ATOM 1324 CG LYS B 11 7.456 12.779 -3.998 1.00 0.00 C ATOM 1325 CD LYS B 11 8.061 13.428 -2.761 1.00 0.00 C ATOM 1326 CE LYS B 11 7.226 14.599 -2.260 1.00 0.00 C ATOM 1327 NZ LYS B 11 7.845 15.250 -1.074 1.00 0.00 N ATOM 0 H LYS B 11 4.043 10.522 -3.670 1.00 0.00 H new ATOM 0 HA LYS B 11 5.458 12.070 -5.755 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.406 12.943 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS B 11 6.194 11.474 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS B 11 8.134 12.012 -4.373 1.00 0.00 H new ATOM 0 HG3 LYS B 11 7.353 13.526 -4.785 1.00 0.00 H new ATOM 0 HD2 LYS B 11 8.152 12.684 -1.970 1.00 0.00 H new ATOM 0 HD3 LYS B 11 9.069 13.774 -2.990 1.00 0.00 H new ATOM 0 HE2 LYS B 11 7.111 15.332 -3.059 1.00 0.00 H new ATOM 0 HE3 LYS B 11 6.226 14.249 -2.002 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 7.637 16.269 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 7.456 14.830 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 8.875 15.106 -1.097 1.00 0.00 H new ATOM 1341 N THR B 12 6.912 10.190 -6.460 1.00 0.00 N ATOM 1342 CA THR B 12 7.804 9.124 -6.883 1.00 0.00 C ATOM 1343 C THR B 12 9.253 9.486 -6.584 1.00 0.00 C ATOM 1344 O THR B 12 9.903 10.184 -7.361 1.00 0.00 O ATOM 1345 CB THR B 12 7.651 8.814 -8.387 1.00 0.00 C ATOM 1346 OG1 THR B 12 7.528 10.034 -9.135 1.00 0.00 O ATOM 1347 CG2 THR B 12 6.444 7.926 -8.643 1.00 0.00 C ATOM 0 H THR B 12 6.748 10.910 -7.164 1.00 0.00 H new ATOM 0 HA THR B 12 7.528 8.233 -6.319 1.00 0.00 H new ATOM 0 HB THR B 12 8.544 8.281 -8.714 1.00 0.00 H new ATOM 0 HG1 THR B 12 8.274 10.630 -8.913 1.00 0.00 H new ATOM 0 HG21 THR B 12 6.361 7.724 -9.711 1.00 0.00 H new ATOM 0 HG22 THR B 12 6.563 6.986 -8.104 1.00 0.00 H new ATOM 0 HG23 THR B 12 5.541 8.430 -8.298 1.00 0.00 H new ATOM 1355 N ILE B 13 9.750 9.030 -5.448 1.00 0.00 N ATOM 1356 CA ILE B 13 11.118 9.316 -5.052 1.00 0.00 C ATOM 1357 C ILE B 13 12.052 8.249 -5.605 1.00 0.00 C ATOM 1358 O ILE B 13 11.932 7.071 -5.265 1.00 0.00 O ATOM 1359 CB ILE B 13 11.266 9.381 -3.516 1.00 0.00 C ATOM 1360 CG1 ILE B 13 10.225 10.331 -2.917 1.00 0.00 C ATOM 1361 CG2 ILE B 13 12.671 9.833 -3.140 1.00 0.00 C ATOM 1362 CD1 ILE B 13 10.263 10.403 -1.404 1.00 0.00 C ATOM 0 H ILE B 13 9.227 8.460 -4.783 1.00 0.00 H new ATOM 0 HA ILE B 13 11.383 10.291 -5.461 1.00 0.00 H new ATOM 0 HB ILE B 13 11.099 8.384 -3.110 1.00 0.00 H new ATOM 0 HG12 ILE B 13 10.382 11.330 -3.323 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.231 10.012 -3.232 1.00 0.00 H new ATOM 0 HG21 ILE B 13 12.762 9.875 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE B 13 13.399 9.126 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE B 13 12.859 10.822 -3.558 1.00 0.00 H new ATOM 0 HD11 ILE B 13 9.498 11.095 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE B 13 10.075 9.413 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE B 13 11.244 10.752 -1.081 1.00 0.00 H new ATOM 1374 N THR B 14 12.963 8.652 -6.474 1.00 0.00 N ATOM 1375 CA THR B 14 13.923 7.728 -7.039 1.00 0.00 C ATOM 1376 C THR B 14 15.037 7.440 -6.040 1.00 0.00 C ATOM 1377 O THR B 14 15.773 8.341 -5.627 1.00 0.00 O ATOM 1378 CB THR B 14 14.512 8.268 -8.356 1.00 0.00 C ATOM 1379 OG1 THR B 14 14.834 9.658 -8.216 1.00 0.00 O ATOM 1380 CG2 THR B 14 13.529 8.083 -9.500 1.00 0.00 C ATOM 0 H THR B 14 13.056 9.613 -6.802 1.00 0.00 H new ATOM 0 HA THR B 14 13.400 6.798 -7.261 1.00 0.00 H new ATOM 0 HB THR B 14 15.419 7.707 -8.581 1.00 0.00 H new ATOM 0 HG1 THR B 14 15.287 9.804 -7.359 1.00 0.00 H new ATOM 0 HG21 THR B 14 13.965 8.471 -10.421 1.00 0.00 H new ATOM 0 HG22 THR B 14 13.308 7.023 -9.622 1.00 0.00 H new ATOM 0 HG23 THR B 14 12.608 8.622 -9.279 1.00 0.00 H new ATOM 1388 N LEU B 15 15.129 6.189 -5.624 1.00 0.00 N ATOM 1389 CA LEU B 15 16.150 5.774 -4.677 1.00 0.00 C ATOM 1390 C LEU B 15 17.199 4.924 -5.365 1.00 0.00 C ATOM 1391 O LEU B 15 16.898 3.843 -5.876 1.00 0.00 O ATOM 1392 CB LEU B 15 15.537 4.991 -3.513 1.00 0.00 C ATOM 1393 CG LEU B 15 15.449 5.752 -2.187 1.00 0.00 C ATOM 1394 CD1 LEU B 15 16.829 6.218 -1.749 1.00 0.00 C ATOM 1395 CD2 LEU B 15 14.499 6.930 -2.303 1.00 0.00 C ATOM 0 H LEU B 15 14.507 5.440 -5.928 1.00 0.00 H new ATOM 0 HA LEU B 15 16.620 6.674 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU B 15 14.534 4.674 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU B 15 16.125 4.087 -3.356 1.00 0.00 H new ATOM 0 HG LEU B 15 15.057 5.074 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU B 15 16.748 6.757 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU B 15 17.481 5.354 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU B 15 17.248 6.878 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU B 15 14.453 7.455 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU B 15 14.856 7.611 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU B 15 13.505 6.571 -2.568 1.00 0.00 H new ATOM 1407 N GLU B 16 18.426 5.418 -5.395 1.00 0.00 N ATOM 1408 CA GLU B 16 19.521 4.648 -5.943 1.00 0.00 C ATOM 1409 C GLU B 16 20.108 3.751 -4.863 1.00 0.00 C ATOM 1410 O GLU B 16 20.890 4.192 -4.023 1.00 0.00 O ATOM 1411 CB GLU B 16 20.593 5.552 -6.550 1.00 0.00 C ATOM 1412 CG GLU B 16 21.697 4.773 -7.242 1.00 0.00 C ATOM 1413 CD GLU B 16 22.514 5.621 -8.187 1.00 0.00 C ATOM 1414 OE1 GLU B 16 22.021 5.917 -9.295 1.00 0.00 O ATOM 1415 OE2 GLU B 16 23.660 5.973 -7.841 1.00 0.00 O ATOM 0 H GLU B 16 18.684 6.342 -5.048 1.00 0.00 H new ATOM 0 HA GLU B 16 19.136 4.024 -6.750 1.00 0.00 H new ATOM 0 HB2 GLU B 16 20.128 6.229 -7.267 1.00 0.00 H new ATOM 0 HB3 GLU B 16 21.028 6.170 -5.764 1.00 0.00 H new ATOM 0 HG2 GLU B 16 22.356 4.340 -6.489 1.00 0.00 H new ATOM 0 HG3 GLU B 16 21.257 3.943 -7.795 1.00 0.00 H new ATOM 1422 N VAL B 17 19.681 2.502 -4.882 1.00 0.00 N ATOM 1423 CA VAL B 17 20.124 1.496 -3.930 1.00 0.00 C ATOM 1424 C VAL B 17 20.479 0.226 -4.693 1.00 0.00 C ATOM 1425 O VAL B 17 20.060 0.056 -5.836 1.00 0.00 O ATOM 1426 CB VAL B 17 19.028 1.182 -2.883 1.00 0.00 C ATOM 1427 CG1 VAL B 17 18.714 2.410 -2.041 1.00 0.00 C ATOM 1428 CG2 VAL B 17 17.772 0.658 -3.562 1.00 0.00 C ATOM 0 H VAL B 17 19.010 2.152 -5.566 1.00 0.00 H new ATOM 0 HA VAL B 17 20.993 1.880 -3.396 1.00 0.00 H new ATOM 0 HB VAL B 17 19.406 0.405 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL B 17 17.941 2.164 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL B 17 19.615 2.733 -1.519 1.00 0.00 H new ATOM 0 HG13 VAL B 17 18.361 3.214 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL B 17 17.014 0.443 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL B 17 17.393 1.409 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL B 17 18.008 -0.254 -4.110 1.00 0.00 H new ATOM 1438 N GLU B 18 21.245 -0.663 -4.091 1.00 0.00 N ATOM 1439 CA GLU B 18 21.651 -1.876 -4.784 1.00 0.00 C ATOM 1440 C GLU B 18 20.875 -3.093 -4.303 1.00 0.00 C ATOM 1441 O GLU B 18 20.155 -3.034 -3.311 1.00 0.00 O ATOM 1442 CB GLU B 18 23.151 -2.118 -4.633 1.00 0.00 C ATOM 1443 CG GLU B 18 23.926 -1.813 -5.903 1.00 0.00 C ATOM 1444 CD GLU B 18 23.325 -2.505 -7.109 1.00 0.00 C ATOM 1445 OE1 GLU B 18 23.086 -3.728 -7.038 1.00 0.00 O ATOM 1446 OE2 GLU B 18 23.056 -1.825 -8.122 1.00 0.00 O ATOM 0 H GLU B 18 21.596 -0.574 -3.137 1.00 0.00 H new ATOM 0 HA GLU B 18 21.422 -1.728 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU B 18 23.534 -1.500 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU B 18 23.320 -3.157 -4.350 1.00 0.00 H new ATOM 0 HG2 GLU B 18 23.939 -0.736 -6.071 1.00 0.00 H new ATOM 0 HG3 GLU B 18 24.962 -2.129 -5.781 1.00 0.00 H new ATOM 1453 N SER B 19 21.039 -4.197 -5.020 1.00 0.00 N ATOM 1454 CA SER B 19 20.380 -5.447 -4.672 1.00 0.00 C ATOM 1455 C SER B 19 20.994 -6.007 -3.390 1.00 0.00 C ATOM 1456 O SER B 19 20.344 -6.721 -2.621 1.00 0.00 O ATOM 1457 CB SER B 19 20.533 -6.444 -5.826 1.00 0.00 C ATOM 1458 OG SER B 19 19.718 -7.588 -5.646 1.00 0.00 O ATOM 0 H SER B 19 21.627 -4.251 -5.852 1.00 0.00 H new ATOM 0 HA SER B 19 19.318 -5.271 -4.502 1.00 0.00 H new ATOM 0 HB2 SER B 19 20.271 -5.956 -6.765 1.00 0.00 H new ATOM 0 HB3 SER B 19 21.576 -6.750 -5.906 1.00 0.00 H new ATOM 0 HG SER B 19 19.841 -8.200 -6.402 1.00 0.00 H new ATOM 1464 N SER B 20 22.248 -5.634 -3.156 1.00 0.00 N ATOM 1465 CA SER B 20 22.988 -6.079 -1.985 1.00 0.00 C ATOM 1466 C SER B 20 22.614 -5.246 -0.764 1.00 0.00 C ATOM 1467 O SER B 20 23.107 -5.482 0.340 1.00 0.00 O ATOM 1468 CB SER B 20 24.490 -5.968 -2.259 1.00 0.00 C ATOM 1469 OG SER B 20 24.812 -6.550 -3.512 1.00 0.00 O ATOM 0 H SER B 20 22.777 -5.017 -3.772 1.00 0.00 H new ATOM 0 HA SER B 20 22.733 -7.118 -1.779 1.00 0.00 H new ATOM 0 HB2 SER B 20 24.791 -4.920 -2.250 1.00 0.00 H new ATOM 0 HB3 SER B 20 25.048 -6.466 -1.466 1.00 0.00 H new ATOM 0 HG SER B 20 25.775 -6.469 -3.672 1.00 0.00 H new ATOM 1475 N ASP B 21 21.736 -4.274 -0.967 1.00 0.00 N ATOM 1476 CA ASP B 21 21.313 -3.398 0.113 1.00 0.00 C ATOM 1477 C ASP B 21 20.108 -4.005 0.818 1.00 0.00 C ATOM 1478 O ASP B 21 19.465 -4.909 0.280 1.00 0.00 O ATOM 1479 CB ASP B 21 20.960 -2.012 -0.434 1.00 0.00 C ATOM 1480 CG ASP B 21 21.173 -0.910 0.582 1.00 0.00 C ATOM 1481 OD1 ASP B 21 21.407 -1.223 1.767 1.00 0.00 O ATOM 1482 OD2 ASP B 21 21.133 0.277 0.193 1.00 0.00 O ATOM 0 H ASP B 21 21.304 -4.073 -1.869 1.00 0.00 H new ATOM 0 HA ASP B 21 22.131 -3.290 0.826 1.00 0.00 H new ATOM 0 HB2 ASP B 21 21.567 -1.809 -1.316 1.00 0.00 H new ATOM 0 HB3 ASP B 21 19.919 -2.007 -0.756 1.00 0.00 H new ATOM 1487 N THR B 22 19.804 -3.520 2.009 1.00 0.00 N ATOM 1488 CA THR B 22 18.685 -4.041 2.775 1.00 0.00 C ATOM 1489 C THR B 22 17.520 -3.060 2.771 1.00 0.00 C ATOM 1490 O THR B 22 17.718 -1.851 2.646 1.00 0.00 O ATOM 1491 CB THR B 22 19.091 -4.343 4.230 1.00 0.00 C ATOM 1492 OG1 THR B 22 19.695 -3.188 4.826 1.00 0.00 O ATOM 1493 CG2 THR B 22 20.052 -5.519 4.293 1.00 0.00 C ATOM 0 H THR B 22 20.316 -2.766 2.467 1.00 0.00 H new ATOM 0 HA THR B 22 18.375 -4.970 2.297 1.00 0.00 H new ATOM 0 HB THR B 22 18.190 -4.603 4.786 1.00 0.00 H new ATOM 0 HG1 THR B 22 19.434 -3.132 5.769 1.00 0.00 H new ATOM 0 HG21 THR B 22 20.323 -5.712 5.331 1.00 0.00 H new ATOM 0 HG22 THR B 22 19.573 -6.403 3.873 1.00 0.00 H new ATOM 0 HG23 THR B 22 20.950 -5.286 3.720 1.00 0.00 H new ATOM 1501 N ILE B 23 16.305 -3.588 2.910 1.00 0.00 N ATOM 1502 CA ILE B 23 15.097 -2.764 2.921 1.00 0.00 C ATOM 1503 C ILE B 23 15.153 -1.725 4.043 1.00 0.00 C ATOM 1504 O ILE B 23 14.731 -0.582 3.871 1.00 0.00 O ATOM 1505 CB ILE B 23 13.834 -3.638 3.088 1.00 0.00 C ATOM 1506 CG1 ILE B 23 13.712 -4.630 1.924 1.00 0.00 C ATOM 1507 CG2 ILE B 23 12.579 -2.779 3.191 1.00 0.00 C ATOM 1508 CD1 ILE B 23 13.576 -3.973 0.565 1.00 0.00 C ATOM 0 H ILE B 23 16.131 -4.587 3.017 1.00 0.00 H new ATOM 0 HA ILE B 23 15.045 -2.247 1.963 1.00 0.00 H new ATOM 0 HB ILE B 23 13.933 -4.199 4.017 1.00 0.00 H new ATOM 0 HG12 ILE B 23 14.590 -5.276 1.917 1.00 0.00 H new ATOM 0 HG13 ILE B 23 12.846 -5.270 2.095 1.00 0.00 H new ATOM 0 HG21 ILE B 23 11.707 -3.422 3.308 1.00 0.00 H new ATOM 0 HG22 ILE B 23 12.660 -2.118 4.054 1.00 0.00 H new ATOM 0 HG23 ILE B 23 12.471 -2.182 2.285 1.00 0.00 H new ATOM 0 HD11 ILE B 23 13.495 -4.741 -0.204 1.00 0.00 H new ATOM 0 HD12 ILE B 23 12.682 -3.349 0.550 1.00 0.00 H new ATOM 0 HD13 ILE B 23 14.453 -3.355 0.370 1.00 0.00 H new ATOM 1520 N ASP B 24 15.694 -2.133 5.180 1.00 0.00 N ATOM 1521 CA ASP B 24 15.858 -1.249 6.333 1.00 0.00 C ATOM 1522 C ASP B 24 16.788 -0.086 6.008 1.00 0.00 C ATOM 1523 O ASP B 24 16.553 1.051 6.427 1.00 0.00 O ATOM 1524 CB ASP B 24 16.407 -2.039 7.523 1.00 0.00 C ATOM 1525 CG ASP B 24 17.483 -3.019 7.103 1.00 0.00 C ATOM 1526 OD1 ASP B 24 17.127 -4.077 6.542 1.00 0.00 O ATOM 1527 OD2 ASP B 24 18.680 -2.728 7.300 1.00 0.00 O ATOM 0 H ASP B 24 16.032 -3.083 5.334 1.00 0.00 H new ATOM 0 HA ASP B 24 14.880 -0.841 6.589 1.00 0.00 H new ATOM 0 HB2 ASP B 24 16.814 -1.348 8.261 1.00 0.00 H new ATOM 0 HB3 ASP B 24 15.593 -2.579 8.007 1.00 0.00 H new ATOM 1532 N ASN B 25 17.830 -0.366 5.245 1.00 0.00 N ATOM 1533 CA ASN B 25 18.778 0.666 4.861 1.00 0.00 C ATOM 1534 C ASN B 25 18.155 1.581 3.814 1.00 0.00 C ATOM 1535 O ASN B 25 18.370 2.792 3.829 1.00 0.00 O ATOM 1536 CB ASN B 25 20.063 0.049 4.319 1.00 0.00 C ATOM 1537 CG ASN B 25 21.187 1.061 4.226 1.00 0.00 C ATOM 1538 OD1 ASN B 25 21.314 1.951 5.069 1.00 0.00 O ATOM 1539 ND2 ASN B 25 21.996 0.944 3.192 1.00 0.00 N ATOM 0 H ASN B 25 18.041 -1.295 4.880 1.00 0.00 H new ATOM 0 HA ASN B 25 19.027 1.251 5.746 1.00 0.00 H new ATOM 0 HB2 ASN B 25 20.370 -0.774 4.964 1.00 0.00 H new ATOM 0 HB3 ASN B 25 19.874 -0.373 3.332 1.00 0.00 H new ATOM 0 HD21 ASN B 25 22.763 1.605 3.067 1.00 0.00 H new ATOM 0 HD22 ASN B 25 21.856 0.192 2.517 1.00 0.00 H new ATOM 1546 N VAL B 26 17.369 0.998 2.912 1.00 0.00 N ATOM 1547 CA VAL B 26 16.630 1.773 1.932 1.00 0.00 C ATOM 1548 C VAL B 26 15.656 2.712 2.641 1.00 0.00 C ATOM 1549 O VAL B 26 15.534 3.878 2.273 1.00 0.00 O ATOM 1550 CB VAL B 26 15.860 0.867 0.945 1.00 0.00 C ATOM 1551 CG1 VAL B 26 15.079 1.703 -0.052 1.00 0.00 C ATOM 1552 CG2 VAL B 26 16.812 -0.065 0.212 1.00 0.00 C ATOM 0 H VAL B 26 17.231 -0.010 2.844 1.00 0.00 H new ATOM 0 HA VAL B 26 17.351 2.354 1.357 1.00 0.00 H new ATOM 0 HB VAL B 26 15.158 0.264 1.521 1.00 0.00 H new ATOM 0 HG11 VAL B 26 14.544 1.046 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL B 26 14.365 2.331 0.480 1.00 0.00 H new ATOM 0 HG13 VAL B 26 15.767 2.333 -0.616 1.00 0.00 H new ATOM 0 HG21 VAL B 26 16.248 -0.693 -0.477 1.00 0.00 H new ATOM 0 HG22 VAL B 26 17.540 0.524 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL B 26 17.332 -0.695 0.934 1.00 0.00 H new ATOM 1562 N LYS B 27 14.991 2.198 3.678 1.00 0.00 N ATOM 1563 CA LYS B 27 14.116 3.014 4.521 1.00 0.00 C ATOM 1564 C LYS B 27 14.865 4.230 5.052 1.00 0.00 C ATOM 1565 O LYS B 27 14.329 5.338 5.097 1.00 0.00 O ATOM 1566 CB LYS B 27 13.577 2.203 5.704 1.00 0.00 C ATOM 1567 CG LYS B 27 12.504 1.193 5.335 1.00 0.00 C ATOM 1568 CD LYS B 27 11.954 0.507 6.571 1.00 0.00 C ATOM 1569 CE LYS B 27 10.617 -0.157 6.297 1.00 0.00 C ATOM 1570 NZ LYS B 27 10.046 -0.779 7.521 1.00 0.00 N ATOM 0 H LYS B 27 15.043 1.217 3.954 1.00 0.00 H new ATOM 0 HA LYS B 27 13.280 3.341 3.903 1.00 0.00 H new ATOM 0 HB2 LYS B 27 14.407 1.677 6.177 1.00 0.00 H new ATOM 0 HB3 LYS B 27 13.172 2.891 6.446 1.00 0.00 H new ATOM 0 HG2 LYS B 27 11.695 1.694 4.803 1.00 0.00 H new ATOM 0 HG3 LYS B 27 12.919 0.448 4.656 1.00 0.00 H new ATOM 0 HD2 LYS B 27 12.667 -0.240 6.920 1.00 0.00 H new ATOM 0 HD3 LYS B 27 11.840 1.237 7.372 1.00 0.00 H new ATOM 0 HE2 LYS B 27 9.918 0.582 5.905 1.00 0.00 H new ATOM 0 HE3 LYS B 27 10.741 -0.918 5.527 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 9.018 -0.886 7.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 10.477 -1.714 7.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 10.244 -0.173 8.343 1.00 0.00 H new ATOM 1584 N SER B 28 16.116 4.012 5.434 1.00 0.00 N ATOM 1585 CA SER B 28 16.953 5.079 5.954 1.00 0.00 C ATOM 1586 C SER B 28 17.258 6.101 4.861 1.00 0.00 C ATOM 1587 O SER B 28 17.258 7.307 5.102 1.00 0.00 O ATOM 1588 CB SER B 28 18.250 4.495 6.506 1.00 0.00 C ATOM 1589 OG SER B 28 17.996 3.415 7.396 1.00 0.00 O ATOM 0 H SER B 28 16.573 3.101 5.392 1.00 0.00 H new ATOM 0 HA SER B 28 16.418 5.585 6.758 1.00 0.00 H new ATOM 0 HB2 SER B 28 18.875 4.150 5.682 1.00 0.00 H new ATOM 0 HB3 SER B 28 18.809 5.273 7.026 1.00 0.00 H new ATOM 0 HG SER B 28 17.653 2.649 6.891 1.00 0.00 H new ATOM 1595 N LYS B 29 17.486 5.605 3.651 1.00 0.00 N ATOM 1596 CA LYS B 29 17.787 6.456 2.507 1.00 0.00 C ATOM 1597 C LYS B 29 16.536 7.192 2.023 1.00 0.00 C ATOM 1598 O LYS B 29 16.626 8.186 1.298 1.00 0.00 O ATOM 1599 CB LYS B 29 18.396 5.617 1.381 1.00 0.00 C ATOM 1600 CG LYS B 29 19.758 5.039 1.736 1.00 0.00 C ATOM 1601 CD LYS B 29 20.279 4.100 0.659 1.00 0.00 C ATOM 1602 CE LYS B 29 21.698 3.646 0.966 1.00 0.00 C ATOM 1603 NZ LYS B 29 22.193 2.642 -0.008 1.00 0.00 N ATOM 0 H LYS B 29 17.468 4.608 3.436 1.00 0.00 H new ATOM 0 HA LYS B 29 18.512 7.209 2.816 1.00 0.00 H new ATOM 0 HB2 LYS B 29 17.715 4.802 1.134 1.00 0.00 H new ATOM 0 HB3 LYS B 29 18.492 6.234 0.487 1.00 0.00 H new ATOM 0 HG2 LYS B 29 20.469 5.852 1.883 1.00 0.00 H new ATOM 0 HG3 LYS B 29 19.688 4.502 2.682 1.00 0.00 H new ATOM 0 HD2 LYS B 29 19.625 3.231 0.582 1.00 0.00 H new ATOM 0 HD3 LYS B 29 20.256 4.603 -0.308 1.00 0.00 H new ATOM 0 HE2 LYS B 29 22.362 4.510 0.962 1.00 0.00 H new ATOM 0 HE3 LYS B 29 21.732 3.222 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 23.157 2.351 0.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 21.567 1.812 0.000 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 22.203 3.058 -0.961 1.00 0.00 H new ATOM 1617 N ILE B 30 15.371 6.691 2.415 1.00 0.00 N ATOM 1618 CA ILE B 30 14.114 7.378 2.156 1.00 0.00 C ATOM 1619 C ILE B 30 13.902 8.467 3.206 1.00 0.00 C ATOM 1620 O ILE B 30 13.476 9.583 2.891 1.00 0.00 O ATOM 1621 CB ILE B 30 12.913 6.403 2.167 1.00 0.00 C ATOM 1622 CG1 ILE B 30 13.076 5.346 1.068 1.00 0.00 C ATOM 1623 CG2 ILE B 30 11.603 7.161 1.986 1.00 0.00 C ATOM 1624 CD1 ILE B 30 11.978 4.303 1.056 1.00 0.00 C ATOM 0 H ILE B 30 15.272 5.808 2.915 1.00 0.00 H new ATOM 0 HA ILE B 30 14.173 7.822 1.162 1.00 0.00 H new ATOM 0 HB ILE B 30 12.886 5.900 3.134 1.00 0.00 H new ATOM 0 HG12 ILE B 30 13.102 5.844 0.099 1.00 0.00 H new ATOM 0 HG13 ILE B 30 14.037 4.847 1.196 1.00 0.00 H new ATOM 0 HG21 ILE B 30 10.771 6.457 1.997 1.00 0.00 H new ATOM 0 HG22 ILE B 30 11.482 7.878 2.798 1.00 0.00 H new ATOM 0 HG23 ILE B 30 11.618 7.691 1.034 1.00 0.00 H new ATOM 0 HD11 ILE B 30 12.162 3.590 0.252 1.00 0.00 H new ATOM 0 HD12 ILE B 30 11.965 3.777 2.011 1.00 0.00 H new ATOM 0 HD13 ILE B 30 11.016 4.790 0.897 1.00 0.00 H new ATOM 1636 N GLN B 31 14.229 8.137 4.452 1.00 0.00 N ATOM 1637 CA GLN B 31 14.170 9.097 5.551 1.00 0.00 C ATOM 1638 C GLN B 31 15.156 10.234 5.297 1.00 0.00 C ATOM 1639 O GLN B 31 14.906 11.386 5.655 1.00 0.00 O ATOM 1640 CB GLN B 31 14.486 8.399 6.877 1.00 0.00 C ATOM 1641 CG GLN B 31 14.347 9.297 8.096 1.00 0.00 C ATOM 1642 CD GLN B 31 14.766 8.609 9.381 1.00 0.00 C ATOM 1643 OE1 GLN B 31 14.219 8.877 10.451 1.00 0.00 O ATOM 1644 NE2 GLN B 31 15.758 7.734 9.288 1.00 0.00 N ATOM 0 H GLN B 31 14.540 7.205 4.728 1.00 0.00 H new ATOM 0 HA GLN B 31 13.164 9.512 5.611 1.00 0.00 H new ATOM 0 HB2 GLN B 31 13.822 7.542 6.992 1.00 0.00 H new ATOM 0 HB3 GLN B 31 15.504 8.011 6.838 1.00 0.00 H new ATOM 0 HG2 GLN B 31 14.953 10.192 7.954 1.00 0.00 H new ATOM 0 HG3 GLN B 31 13.311 9.624 8.185 1.00 0.00 H new ATOM 0 HE21 GLN B 31 16.184 7.541 8.382 1.00 0.00 H new ATOM 0 HE22 GLN B 31 16.095 7.254 10.123 1.00 0.00 H new ATOM 1653 N ASP B 32 16.263 9.886 4.658 1.00 0.00 N ATOM 1654 CA ASP B 32 17.281 10.844 4.232 1.00 0.00 C ATOM 1655 C ASP B 32 16.677 11.988 3.417 1.00 0.00 C ATOM 1656 O ASP B 32 17.125 13.131 3.504 1.00 0.00 O ATOM 1657 CB ASP B 32 18.334 10.107 3.399 1.00 0.00 C ATOM 1658 CG ASP B 32 19.246 11.031 2.616 1.00 0.00 C ATOM 1659 OD1 ASP B 32 20.148 11.642 3.224 1.00 0.00 O ATOM 1660 OD2 ASP B 32 19.081 11.127 1.379 1.00 0.00 O ATOM 0 H ASP B 32 16.485 8.920 4.416 1.00 0.00 H new ATOM 0 HA ASP B 32 17.738 11.283 5.119 1.00 0.00 H new ATOM 0 HB2 ASP B 32 18.940 9.488 4.060 1.00 0.00 H new ATOM 0 HB3 ASP B 32 17.830 9.434 2.705 1.00 0.00 H new ATOM 1665 N LYS B 33 15.646 11.681 2.646 1.00 0.00 N ATOM 1666 CA LYS B 33 15.073 12.656 1.732 1.00 0.00 C ATOM 1667 C LYS B 33 13.712 13.157 2.204 1.00 0.00 C ATOM 1668 O LYS B 33 13.521 14.356 2.392 1.00 0.00 O ATOM 1669 CB LYS B 33 14.967 12.044 0.338 1.00 0.00 C ATOM 1670 CG LYS B 33 16.326 11.700 -0.244 1.00 0.00 C ATOM 1671 CD LYS B 33 16.223 10.788 -1.451 1.00 0.00 C ATOM 1672 CE LYS B 33 17.604 10.372 -1.933 1.00 0.00 C ATOM 1673 NZ LYS B 33 18.413 9.763 -0.840 1.00 0.00 N ATOM 0 H LYS B 33 15.190 10.768 2.635 1.00 0.00 H new ATOM 0 HA LYS B 33 15.735 13.522 1.703 1.00 0.00 H new ATOM 0 HB2 LYS B 33 14.355 11.143 0.385 1.00 0.00 H new ATOM 0 HB3 LYS B 33 14.456 12.742 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS B 33 16.840 12.618 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.935 11.218 0.521 1.00 0.00 H new ATOM 0 HD2 LYS B 33 15.640 9.903 -1.195 1.00 0.00 H new ATOM 0 HD3 LYS B 33 15.691 11.299 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS B 33 17.504 9.659 -2.751 1.00 0.00 H new ATOM 0 HE3 LYS B 33 18.127 11.242 -2.331 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 19.141 9.144 -1.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 18.870 10.515 -0.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 17.793 9.204 -0.219 1.00 0.00 H new ATOM 1687 N GLU B 34 12.768 12.248 2.400 1.00 0.00 N ATOM 1688 CA GLU B 34 11.412 12.650 2.750 1.00 0.00 C ATOM 1689 C GLU B 34 11.260 12.831 4.259 1.00 0.00 C ATOM 1690 O GLU B 34 10.525 13.704 4.722 1.00 0.00 O ATOM 1691 CB GLU B 34 10.395 11.631 2.225 1.00 0.00 C ATOM 1692 CG GLU B 34 8.955 12.126 2.272 1.00 0.00 C ATOM 1693 CD GLU B 34 8.690 13.306 1.348 1.00 0.00 C ATOM 1694 OE1 GLU B 34 9.652 13.983 0.928 1.00 0.00 O ATOM 1695 OE2 GLU B 34 7.508 13.559 1.028 1.00 0.00 O ATOM 0 H GLU B 34 12.911 11.241 2.324 1.00 0.00 H new ATOM 0 HA GLU B 34 11.216 13.612 2.276 1.00 0.00 H new ATOM 0 HB2 GLU B 34 10.649 11.374 1.196 1.00 0.00 H new ATOM 0 HB3 GLU B 34 10.475 10.716 2.811 1.00 0.00 H new ATOM 0 HG2 GLU B 34 8.288 11.307 2.003 1.00 0.00 H new ATOM 0 HG3 GLU B 34 8.711 12.413 3.295 1.00 0.00 H new ATOM 1702 N GLY B 35 11.970 12.015 5.024 1.00 0.00 N ATOM 1703 CA GLY B 35 11.925 12.130 6.471 1.00 0.00 C ATOM 1704 C GLY B 35 10.964 11.151 7.110 1.00 0.00 C ATOM 1705 O GLY B 35 10.558 11.332 8.255 1.00 0.00 O ATOM 0 H GLY B 35 12.577 11.275 4.671 1.00 0.00 H new ATOM 0 HA2 GLY B 35 12.924 11.966 6.875 1.00 0.00 H new ATOM 0 HA3 GLY B 35 11.634 13.145 6.741 1.00 0.00 H new ATOM 1709 N ILE B 36 10.597 10.116 6.370 1.00 0.00 N ATOM 1710 CA ILE B 36 9.698 9.094 6.885 1.00 0.00 C ATOM 1711 C ILE B 36 10.465 8.068 7.714 1.00 0.00 C ATOM 1712 O ILE B 36 11.316 7.351 7.188 1.00 0.00 O ATOM 1713 CB ILE B 36 8.953 8.376 5.737 1.00 0.00 C ATOM 1714 CG1 ILE B 36 8.085 9.379 4.965 1.00 0.00 C ATOM 1715 CG2 ILE B 36 8.107 7.224 6.276 1.00 0.00 C ATOM 1716 CD1 ILE B 36 7.369 8.783 3.772 1.00 0.00 C ATOM 0 H ILE B 36 10.908 9.961 5.411 1.00 0.00 H new ATOM 0 HA ILE B 36 8.966 9.593 7.520 1.00 0.00 H new ATOM 0 HB ILE B 36 9.689 7.955 5.052 1.00 0.00 H new ATOM 0 HG12 ILE B 36 7.346 9.803 5.645 1.00 0.00 H new ATOM 0 HG13 ILE B 36 8.714 10.202 4.625 1.00 0.00 H new ATOM 0 HG21 ILE B 36 7.592 6.733 5.450 1.00 0.00 H new ATOM 0 HG22 ILE B 36 8.752 6.504 6.780 1.00 0.00 H new ATOM 0 HG23 ILE B 36 7.373 7.611 6.983 1.00 0.00 H new ATOM 0 HD11 ILE B 36 6.777 9.555 3.280 1.00 0.00 H new ATOM 0 HD12 ILE B 36 8.101 8.385 3.070 1.00 0.00 H new ATOM 0 HD13 ILE B 36 6.712 7.980 4.106 1.00 0.00 H new ATOM 1728 N PRO B 37 10.182 8.002 9.026 1.00 0.00 N ATOM 1729 CA PRO B 37 10.802 7.024 9.921 1.00 0.00 C ATOM 1730 C PRO B 37 10.599 5.593 9.429 1.00 0.00 C ATOM 1731 O PRO B 37 9.512 5.227 8.976 1.00 0.00 O ATOM 1732 CB PRO B 37 10.087 7.235 11.263 1.00 0.00 C ATOM 1733 CG PRO B 37 8.896 8.080 10.959 1.00 0.00 C ATOM 1734 CD PRO B 37 9.249 8.881 9.741 1.00 0.00 C ATOM 0 HA PRO B 37 11.881 7.163 9.984 1.00 0.00 H new ATOM 0 HB2 PRO B 37 9.789 6.283 11.702 1.00 0.00 H new ATOM 0 HB3 PRO B 37 10.742 7.726 11.982 1.00 0.00 H new ATOM 0 HG2 PRO B 37 8.017 7.462 10.777 1.00 0.00 H new ATOM 0 HG3 PRO B 37 8.658 8.733 11.799 1.00 0.00 H new ATOM 0 HD2 PRO B 37 8.369 9.110 9.140 1.00 0.00 H new ATOM 0 HD3 PRO B 37 9.712 9.832 10.004 1.00 0.00 H new ATOM 1742 N PRO B 38 11.651 4.766 9.512 1.00 0.00 N ATOM 1743 CA PRO B 38 11.630 3.392 8.993 1.00 0.00 C ATOM 1744 C PRO B 38 10.584 2.510 9.671 1.00 0.00 C ATOM 1745 O PRO B 38 10.083 1.558 9.069 1.00 0.00 O ATOM 1746 CB PRO B 38 13.045 2.872 9.283 1.00 0.00 C ATOM 1747 CG PRO B 38 13.874 4.096 9.495 1.00 0.00 C ATOM 1748 CD PRO B 38 12.953 5.107 10.106 1.00 0.00 C ATOM 0 HA PRO B 38 11.361 3.372 7.937 1.00 0.00 H new ATOM 0 HB2 PRO B 38 13.056 2.231 10.164 1.00 0.00 H new ATOM 0 HB3 PRO B 38 13.425 2.278 8.452 1.00 0.00 H new ATOM 0 HG2 PRO B 38 14.719 3.888 10.152 1.00 0.00 H new ATOM 0 HG3 PRO B 38 14.285 4.459 8.553 1.00 0.00 H new ATOM 0 HD2 PRO B 38 12.934 5.031 11.193 1.00 0.00 H new ATOM 0 HD3 PRO B 38 13.253 6.126 9.863 1.00 0.00 H new ATOM 1756 N ASP B 39 10.239 2.836 10.906 1.00 0.00 N ATOM 1757 CA ASP B 39 9.245 2.067 11.647 1.00 0.00 C ATOM 1758 C ASP B 39 7.836 2.554 11.348 1.00 0.00 C ATOM 1759 O ASP B 39 6.858 2.015 11.865 1.00 0.00 O ATOM 1760 CB ASP B 39 9.512 2.138 13.150 1.00 0.00 C ATOM 1761 CG ASP B 39 10.605 1.190 13.584 1.00 0.00 C ATOM 1762 OD1 ASP B 39 11.794 1.537 13.441 1.00 0.00 O ATOM 1763 OD2 ASP B 39 10.277 0.088 14.078 1.00 0.00 O ATOM 0 H ASP B 39 10.630 3.626 11.418 1.00 0.00 H new ATOM 0 HA ASP B 39 9.327 1.029 11.323 1.00 0.00 H new ATOM 0 HB2 ASP B 39 9.790 3.157 13.420 1.00 0.00 H new ATOM 0 HB3 ASP B 39 8.595 1.904 13.691 1.00 0.00 H new ATOM 1768 N GLN B 40 7.726 3.574 10.508 1.00 0.00 N ATOM 1769 CA GLN B 40 6.425 4.101 10.143 1.00 0.00 C ATOM 1770 C GLN B 40 6.155 3.876 8.660 1.00 0.00 C ATOM 1771 O GLN B 40 5.179 4.382 8.120 1.00 0.00 O ATOM 1772 CB GLN B 40 6.330 5.597 10.470 1.00 0.00 C ATOM 1773 CG GLN B 40 4.900 6.122 10.484 1.00 0.00 C ATOM 1774 CD GLN B 40 4.816 7.633 10.567 1.00 0.00 C ATOM 1775 OE1 GLN B 40 3.877 8.178 11.142 1.00 0.00 O ATOM 1776 NE2 GLN B 40 5.779 8.315 9.970 1.00 0.00 N ATOM 0 H GLN B 40 8.517 4.048 10.071 1.00 0.00 H new ATOM 0 HA GLN B 40 5.672 3.570 10.725 1.00 0.00 H new ATOM 0 HB2 GLN B 40 6.786 5.779 11.443 1.00 0.00 H new ATOM 0 HB3 GLN B 40 6.909 6.159 9.737 1.00 0.00 H new ATOM 0 HG2 GLN B 40 4.388 5.786 9.582 1.00 0.00 H new ATOM 0 HG3 GLN B 40 4.370 5.689 11.332 1.00 0.00 H new ATOM 0 HE21 GLN B 40 6.540 7.821 9.504 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.760 9.335 9.975 1.00 0.00 H new ATOM 1785 N GLN B 41 7.011 3.110 7.998 1.00 0.00 N ATOM 1786 CA GLN B 41 6.833 2.865 6.574 1.00 0.00 C ATOM 1787 C GLN B 41 6.983 1.387 6.221 1.00 0.00 C ATOM 1788 O GLN B 41 7.698 0.644 6.893 1.00 0.00 O ATOM 1789 CB GLN B 41 7.827 3.695 5.772 1.00 0.00 C ATOM 1790 CG GLN B 41 9.254 3.372 6.110 1.00 0.00 C ATOM 1791 CD GLN B 41 10.246 3.938 5.116 1.00 0.00 C ATOM 1792 OE1 GLN B 41 10.557 3.307 4.110 1.00 0.00 O ATOM 1793 NE2 GLN B 41 10.770 5.117 5.403 1.00 0.00 N ATOM 0 H GLN B 41 7.823 2.654 8.415 1.00 0.00 H new ATOM 0 HA GLN B 41 5.816 3.162 6.317 1.00 0.00 H new ATOM 0 HB2 GLN B 41 7.662 3.525 4.708 1.00 0.00 H new ATOM 0 HB3 GLN B 41 7.644 4.753 5.958 1.00 0.00 H new ATOM 0 HG2 GLN B 41 9.482 3.761 7.102 1.00 0.00 H new ATOM 0 HG3 GLN B 41 9.373 2.290 6.156 1.00 0.00 H new ATOM 0 HE21 GLN B 41 10.485 5.609 6.249 1.00 0.00 H new ATOM 0 HE22 GLN B 41 11.460 5.534 4.778 1.00 0.00 H new ATOM 1802 N ARG B 42 6.277 0.969 5.178 1.00 0.00 N ATOM 1803 CA ARG B 42 6.434 -0.359 4.601 1.00 0.00 C ATOM 1804 C ARG B 42 6.473 -0.248 3.082 1.00 0.00 C ATOM 1805 O ARG B 42 5.688 0.491 2.487 1.00 0.00 O ATOM 1806 CB ARG B 42 5.292 -1.295 5.023 1.00 0.00 C ATOM 1807 CG ARG B 42 5.224 -2.568 4.186 1.00 0.00 C ATOM 1808 CD ARG B 42 4.077 -3.474 4.601 1.00 0.00 C ATOM 1809 NE ARG B 42 4.386 -4.255 5.797 1.00 0.00 N ATOM 1810 CZ ARG B 42 3.464 -4.776 6.604 1.00 0.00 C ATOM 1811 NH1 ARG B 42 2.173 -4.594 6.340 1.00 0.00 N ATOM 1812 NH2 ARG B 42 3.836 -5.492 7.660 1.00 0.00 N ATOM 0 H ARG B 42 5.578 1.543 4.708 1.00 0.00 H new ATOM 0 HA ARG B 42 7.368 -0.783 4.970 1.00 0.00 H new ATOM 0 HB2 ARG B 42 5.418 -1.563 6.072 1.00 0.00 H new ATOM 0 HB3 ARG B 42 4.344 -0.762 4.942 1.00 0.00 H new ATOM 0 HG2 ARG B 42 5.112 -2.303 3.135 1.00 0.00 H new ATOM 0 HG3 ARG B 42 6.164 -3.111 4.279 1.00 0.00 H new ATOM 0 HD2 ARG B 42 3.189 -2.869 4.785 1.00 0.00 H new ATOM 0 HD3 ARG B 42 3.838 -4.151 3.781 1.00 0.00 H new ATOM 0 HE ARG B 42 5.367 -4.410 6.027 1.00 0.00 H new ATOM 0 HH11 ARG B 42 1.891 -4.056 5.521 1.00 0.00 H new ATOM 0 HH12 ARG B 42 1.465 -4.992 6.957 1.00 0.00 H new ATOM 0 HH21 ARG B 42 4.827 -5.642 7.851 1.00 0.00 H new ATOM 0 HH22 ARG B 42 3.131 -5.892 8.279 1.00 0.00 H new ATOM 1826 N LEU B 43 7.389 -0.973 2.464 1.00 0.00 N ATOM 1827 CA LEU B 43 7.522 -0.962 1.015 1.00 0.00 C ATOM 1828 C LEU B 43 6.680 -2.081 0.413 1.00 0.00 C ATOM 1829 O LEU B 43 6.759 -3.228 0.848 1.00 0.00 O ATOM 1830 CB LEU B 43 8.993 -1.123 0.595 1.00 0.00 C ATOM 1831 CG LEU B 43 9.925 0.057 0.923 1.00 0.00 C ATOM 1832 CD1 LEU B 43 10.173 0.172 2.421 1.00 0.00 C ATOM 1833 CD2 LEU B 43 11.245 -0.091 0.183 1.00 0.00 C ATOM 0 H LEU B 43 8.054 -1.579 2.944 1.00 0.00 H new ATOM 0 HA LEU B 43 7.167 -0.001 0.643 1.00 0.00 H new ATOM 0 HB2 LEU B 43 9.391 -2.017 1.075 1.00 0.00 H new ATOM 0 HB3 LEU B 43 9.025 -1.297 -0.481 1.00 0.00 H new ATOM 0 HG LEU B 43 9.432 0.971 0.594 1.00 0.00 H new ATOM 0 HD11 LEU B 43 10.835 1.016 2.616 1.00 0.00 H new ATOM 0 HD12 LEU B 43 9.225 0.328 2.936 1.00 0.00 H new ATOM 0 HD13 LEU B 43 10.637 -0.745 2.784 1.00 0.00 H new ATOM 0 HD21 LEU B 43 11.894 0.751 0.425 1.00 0.00 H new ATOM 0 HD22 LEU B 43 11.729 -1.020 0.484 1.00 0.00 H new ATOM 0 HD23 LEU B 43 11.060 -0.110 -0.891 1.00 0.00 H new ATOM 1845 N ILE B 44 5.847 -1.740 -0.559 1.00 0.00 N ATOM 1846 CA ILE B 44 5.017 -2.731 -1.230 1.00 0.00 C ATOM 1847 C ILE B 44 5.287 -2.726 -2.729 1.00 0.00 C ATOM 1848 O ILE B 44 5.008 -1.741 -3.417 1.00 0.00 O ATOM 1849 CB ILE B 44 3.514 -2.475 -0.979 1.00 0.00 C ATOM 1850 CG1 ILE B 44 3.225 -2.447 0.526 1.00 0.00 C ATOM 1851 CG2 ILE B 44 2.671 -3.547 -1.662 1.00 0.00 C ATOM 1852 CD1 ILE B 44 1.785 -2.120 0.866 1.00 0.00 C ATOM 0 H ILE B 44 5.727 -0.786 -0.901 1.00 0.00 H new ATOM 0 HA ILE B 44 5.276 -3.705 -0.816 1.00 0.00 H new ATOM 0 HB ILE B 44 3.250 -1.506 -1.403 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.478 -3.417 0.953 1.00 0.00 H new ATOM 0 HG13 ILE B 44 3.876 -1.711 0.998 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.615 -3.353 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.860 -3.529 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.935 -4.526 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE B 44 1.658 -2.119 1.949 1.00 0.00 H new ATOM 0 HD12 ILE B 44 1.532 -1.137 0.470 1.00 0.00 H new ATOM 0 HD13 ILE B 44 1.128 -2.869 0.424 1.00 0.00 H new ATOM 1864 N PHE B 45 5.831 -3.824 -3.232 1.00 0.00 N ATOM 1865 CA PHE B 45 6.151 -3.934 -4.649 1.00 0.00 C ATOM 1866 C PHE B 45 5.232 -4.937 -5.333 1.00 0.00 C ATOM 1867 O PHE B 45 5.316 -6.136 -5.077 1.00 0.00 O ATOM 1868 CB PHE B 45 7.615 -4.345 -4.839 1.00 0.00 C ATOM 1869 CG PHE B 45 7.971 -4.667 -6.262 1.00 0.00 C ATOM 1870 CD1 PHE B 45 7.858 -3.710 -7.255 1.00 0.00 C ATOM 1871 CD2 PHE B 45 8.413 -5.934 -6.601 1.00 0.00 C ATOM 1872 CE1 PHE B 45 8.182 -4.010 -8.562 1.00 0.00 C ATOM 1873 CE2 PHE B 45 8.740 -6.241 -7.907 1.00 0.00 C ATOM 1874 CZ PHE B 45 8.623 -5.278 -8.889 1.00 0.00 C ATOM 0 H PHE B 45 6.060 -4.651 -2.681 1.00 0.00 H new ATOM 0 HA PHE B 45 5.999 -2.957 -5.107 1.00 0.00 H new ATOM 0 HB2 PHE B 45 8.258 -3.539 -4.486 1.00 0.00 H new ATOM 0 HB3 PHE B 45 7.823 -5.215 -4.216 1.00 0.00 H new ATOM 0 HD1 PHE B 45 7.513 -2.718 -7.004 1.00 0.00 H new ATOM 0 HD2 PHE B 45 8.503 -6.691 -5.836 1.00 0.00 H new ATOM 0 HE1 PHE B 45 8.091 -3.255 -9.329 1.00 0.00 H new ATOM 0 HE2 PHE B 45 9.086 -7.232 -8.160 1.00 0.00 H new ATOM 0 HZ PHE B 45 8.876 -5.515 -9.912 1.00 0.00 H new ATOM 1884 N ALA B 46 4.339 -4.428 -6.186 1.00 0.00 N ATOM 1885 CA ALA B 46 3.401 -5.260 -6.946 1.00 0.00 C ATOM 1886 C ALA B 46 2.509 -6.100 -6.028 1.00 0.00 C ATOM 1887 O ALA B 46 1.895 -7.075 -6.463 1.00 0.00 O ATOM 1888 CB ALA B 46 4.156 -6.148 -7.927 1.00 0.00 C ATOM 0 H ALA B 46 4.246 -3.429 -6.369 1.00 0.00 H new ATOM 0 HA ALA B 46 2.747 -4.592 -7.507 1.00 0.00 H new ATOM 0 HB1 ALA B 46 3.447 -6.760 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.721 -5.525 -8.621 1.00 0.00 H new ATOM 0 HB3 ALA B 46 4.841 -6.795 -7.379 1.00 0.00 H new ATOM 1894 N GLY B 47 2.426 -5.703 -4.764 1.00 0.00 N ATOM 1895 CA GLY B 47 1.620 -6.434 -3.806 1.00 0.00 C ATOM 1896 C GLY B 47 2.470 -7.239 -2.846 1.00 0.00 C ATOM 1897 O GLY B 47 1.967 -7.791 -1.867 1.00 0.00 O ATOM 0 H GLY B 47 2.904 -4.886 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY B 47 1.002 -5.734 -3.244 1.00 0.00 H new ATOM 0 HA3 GLY B 47 0.942 -7.102 -4.337 1.00 0.00 H new ATOM 1901 N LYS B 48 3.765 -7.301 -3.128 1.00 0.00 N ATOM 1902 CA LYS B 48 4.690 -8.044 -2.291 1.00 0.00 C ATOM 1903 C LYS B 48 5.099 -7.226 -1.075 1.00 0.00 C ATOM 1904 O LYS B 48 5.533 -6.076 -1.193 1.00 0.00 O ATOM 1905 CB LYS B 48 5.929 -8.464 -3.087 1.00 0.00 C ATOM 1906 CG LYS B 48 6.988 -9.162 -2.242 1.00 0.00 C ATOM 1907 CD LYS B 48 8.130 -9.704 -3.091 1.00 0.00 C ATOM 1908 CE LYS B 48 7.677 -10.862 -3.966 1.00 0.00 C ATOM 1909 NZ LYS B 48 7.188 -12.013 -3.160 1.00 0.00 N ATOM 0 H LYS B 48 4.196 -6.844 -3.932 1.00 0.00 H new ATOM 0 HA LYS B 48 4.179 -8.943 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.624 -9.129 -3.895 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.369 -7.581 -3.551 1.00 0.00 H new ATOM 0 HG2 LYS B 48 7.384 -8.462 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.528 -9.980 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS B 48 8.527 -8.907 -3.719 1.00 0.00 H new ATOM 0 HD3 LYS B 48 8.942 -10.033 -2.442 1.00 0.00 H new ATOM 0 HE2 LYS B 48 6.884 -10.524 -4.633 1.00 0.00 H new ATOM 0 HE3 LYS B 48 8.506 -11.186 -4.595 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 7.163 -12.867 -3.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 7.828 -12.170 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 6.231 -11.808 -2.807 1.00 0.00 H new ATOM 1923 N GLN B 49 4.936 -7.838 0.088 1.00 0.00 N ATOM 1924 CA GLN B 49 5.333 -7.253 1.357 1.00 0.00 C ATOM 1925 C GLN B 49 6.857 -7.197 1.464 1.00 0.00 C ATOM 1926 O GLN B 49 7.519 -8.235 1.516 1.00 0.00 O ATOM 1927 CB GLN B 49 4.751 -8.112 2.482 1.00 0.00 C ATOM 1928 CG GLN B 49 5.237 -7.757 3.875 1.00 0.00 C ATOM 1929 CD GLN B 49 5.145 -8.944 4.814 1.00 0.00 C ATOM 1930 OE1 GLN B 49 5.266 -10.092 4.384 1.00 0.00 O ATOM 1931 NE2 GLN B 49 4.937 -8.686 6.094 1.00 0.00 N ATOM 0 H GLN B 49 4.520 -8.765 0.177 1.00 0.00 H new ATOM 0 HA GLN B 49 4.955 -6.233 1.432 1.00 0.00 H new ATOM 0 HB2 GLN B 49 3.665 -8.027 2.459 1.00 0.00 H new ATOM 0 HB3 GLN B 49 4.993 -9.156 2.284 1.00 0.00 H new ATOM 0 HG2 GLN B 49 6.269 -7.411 3.824 1.00 0.00 H new ATOM 0 HG3 GLN B 49 4.643 -6.932 4.270 1.00 0.00 H new ATOM 0 HE21 GLN B 49 4.842 -7.721 6.411 1.00 0.00 H new ATOM 0 HE22 GLN B 49 4.871 -9.452 6.765 1.00 0.00 H new ATOM 1940 N LEU B 50 7.411 -5.994 1.477 1.00 0.00 N ATOM 1941 CA LEU B 50 8.851 -5.827 1.598 1.00 0.00 C ATOM 1942 C LEU B 50 9.204 -5.311 2.987 1.00 0.00 C ATOM 1943 O LEU B 50 9.167 -4.104 3.238 1.00 0.00 O ATOM 1944 CB LEU B 50 9.377 -4.854 0.539 1.00 0.00 C ATOM 1945 CG LEU B 50 8.947 -5.143 -0.897 1.00 0.00 C ATOM 1946 CD1 LEU B 50 9.448 -4.049 -1.819 1.00 0.00 C ATOM 1947 CD2 LEU B 50 9.459 -6.498 -1.350 1.00 0.00 C ATOM 0 H LEU B 50 6.887 -5.122 1.405 1.00 0.00 H new ATOM 0 HA LEU B 50 9.320 -6.799 1.443 1.00 0.00 H new ATOM 0 HB2 LEU B 50 9.049 -3.848 0.802 1.00 0.00 H new ATOM 0 HB3 LEU B 50 10.466 -4.855 0.580 1.00 0.00 H new ATOM 0 HG LEU B 50 7.858 -5.164 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU B 50 9.136 -4.264 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU B 50 9.032 -3.091 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU B 50 10.536 -4.004 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU B 50 9.141 -6.683 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU B 50 10.548 -6.511 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU B 50 9.057 -7.275 -0.700 1.00 0.00 H new ATOM 1959 N GLU B 51 9.521 -6.228 3.888 1.00 0.00 N ATOM 1960 CA GLU B 51 9.872 -5.861 5.251 1.00 0.00 C ATOM 1961 C GLU B 51 11.376 -5.690 5.380 1.00 0.00 C ATOM 1962 O GLU B 51 12.149 -6.296 4.635 1.00 0.00 O ATOM 1963 CB GLU B 51 9.385 -6.922 6.241 1.00 0.00 C ATOM 1964 CG GLU B 51 7.885 -7.160 6.193 1.00 0.00 C ATOM 1965 CD GLU B 51 7.065 -5.961 6.646 1.00 0.00 C ATOM 1966 OE1 GLU B 51 6.975 -4.972 5.895 1.00 0.00 O ATOM 1967 OE2 GLU B 51 6.485 -6.014 7.752 1.00 0.00 O ATOM 0 H GLU B 51 9.542 -7.230 3.700 1.00 0.00 H new ATOM 0 HA GLU B 51 9.383 -4.915 5.484 1.00 0.00 H new ATOM 0 HB2 GLU B 51 9.900 -7.861 6.036 1.00 0.00 H new ATOM 0 HB3 GLU B 51 9.664 -6.619 7.250 1.00 0.00 H new ATOM 0 HG2 GLU B 51 7.599 -7.422 5.174 1.00 0.00 H new ATOM 0 HG3 GLU B 51 7.641 -8.016 6.822 1.00 0.00 H new ATOM 1974 N ASP B 52 11.780 -4.865 6.331 1.00 0.00 N ATOM 1975 CA ASP B 52 13.189 -4.611 6.591 1.00 0.00 C ATOM 1976 C ASP B 52 13.856 -5.820 7.235 1.00 0.00 C ATOM 1977 O ASP B 52 13.180 -6.747 7.685 1.00 0.00 O ATOM 1978 CB ASP B 52 13.344 -3.375 7.481 1.00 0.00 C ATOM 1979 CG ASP B 52 12.419 -3.384 8.681 1.00 0.00 C ATOM 1980 OD1 ASP B 52 11.281 -2.877 8.553 1.00 0.00 O ATOM 1981 OD2 ASP B 52 12.822 -3.880 9.749 1.00 0.00 O ATOM 0 H ASP B 52 11.144 -4.354 6.943 1.00 0.00 H new ATOM 0 HA ASP B 52 13.685 -4.425 5.638 1.00 0.00 H new ATOM 0 HB2 ASP B 52 14.376 -3.311 7.826 1.00 0.00 H new ATOM 0 HB3 ASP B 52 13.150 -2.481 6.888 1.00 0.00 H new ATOM 1986 N GLY B 53 15.180 -5.824 7.254 1.00 0.00 N ATOM 1987 CA GLY B 53 15.907 -6.935 7.826 1.00 0.00 C ATOM 1988 C GLY B 53 16.612 -7.768 6.775 1.00 0.00 C ATOM 1989 O GLY B 53 17.632 -8.398 7.056 1.00 0.00 O ATOM 0 H GLY B 53 15.764 -5.075 6.882 1.00 0.00 H new ATOM 0 HA2 GLY B 53 16.641 -6.557 8.538 1.00 0.00 H new ATOM 0 HA3 GLY B 53 15.217 -7.568 8.384 1.00 0.00 H new ATOM 1993 N ARG B 54 16.070 -7.776 5.561 1.00 0.00 N ATOM 1994 CA ARG B 54 16.650 -8.556 4.475 1.00 0.00 C ATOM 1995 C ARG B 54 16.982 -7.678 3.273 1.00 0.00 C ATOM 1996 O ARG B 54 16.577 -6.514 3.206 1.00 0.00 O ATOM 1997 CB ARG B 54 15.708 -9.688 4.065 1.00 0.00 C ATOM 1998 CG ARG B 54 15.585 -10.772 5.122 1.00 0.00 C ATOM 1999 CD ARG B 54 14.680 -11.902 4.668 1.00 0.00 C ATOM 2000 NE ARG B 54 13.292 -11.470 4.527 1.00 0.00 N ATOM 2001 CZ ARG B 54 12.393 -12.100 3.775 1.00 0.00 C ATOM 2002 NH1 ARG B 54 12.743 -13.166 3.065 1.00 0.00 N ATOM 2003 NH2 ARG B 54 11.146 -11.656 3.716 1.00 0.00 N ATOM 0 H ARG B 54 15.233 -7.253 5.306 1.00 0.00 H new ATOM 0 HA ARG B 54 17.582 -8.989 4.839 1.00 0.00 H new ATOM 0 HB2 ARG B 54 14.720 -9.275 3.860 1.00 0.00 H new ATOM 0 HB3 ARG B 54 16.066 -10.133 3.137 1.00 0.00 H new ATOM 0 HG2 ARG B 54 16.574 -11.169 5.353 1.00 0.00 H new ATOM 0 HG3 ARG B 54 15.192 -10.339 6.042 1.00 0.00 H new ATOM 0 HD2 ARG B 54 15.037 -12.291 3.714 1.00 0.00 H new ATOM 0 HD3 ARG B 54 14.734 -12.720 5.386 1.00 0.00 H new ATOM 0 HE ARG B 54 12.994 -10.637 5.035 1.00 0.00 H new ATOM 0 HH11 ARG B 54 13.704 -13.505 3.095 1.00 0.00 H new ATOM 0 HH12 ARG B 54 12.050 -13.646 2.490 1.00 0.00 H new ATOM 0 HH21 ARG B 54 10.873 -10.829 4.248 1.00 0.00 H new ATOM 0 HH22 ARG B 54 10.459 -12.141 3.139 1.00 0.00 H new ATOM 2017 N THR B 55 17.719 -8.251 2.329 1.00 0.00 N ATOM 2018 CA THR B 55 18.205 -7.517 1.168 1.00 0.00 C ATOM 2019 C THR B 55 17.172 -7.469 0.044 1.00 0.00 C ATOM 2020 O THR B 55 16.190 -8.217 0.049 1.00 0.00 O ATOM 2021 CB THR B 55 19.498 -8.154 0.620 1.00 0.00 C ATOM 2022 OG1 THR B 55 19.270 -9.538 0.314 1.00 0.00 O ATOM 2023 CG2 THR B 55 20.639 -8.033 1.622 1.00 0.00 C ATOM 0 H THR B 55 17.995 -9.233 2.347 1.00 0.00 H new ATOM 0 HA THR B 55 18.402 -6.500 1.506 1.00 0.00 H new ATOM 0 HB THR B 55 19.780 -7.619 -0.287 1.00 0.00 H new ATOM 0 HG1 THR B 55 20.095 -9.936 -0.035 1.00 0.00 H new ATOM 0 HG21 THR B 55 21.537 -8.491 1.208 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.831 -6.980 1.829 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.366 -8.541 2.547 1.00 0.00 H new ATOM 2031 N LEU B 56 17.412 -6.589 -0.924 1.00 0.00 N ATOM 2032 CA LEU B 56 16.563 -6.486 -2.108 1.00 0.00 C ATOM 2033 C LEU B 56 16.740 -7.713 -2.995 1.00 0.00 C ATOM 2034 O LEU B 56 15.830 -8.093 -3.735 1.00 0.00 O ATOM 2035 CB LEU B 56 16.887 -5.219 -2.911 1.00 0.00 C ATOM 2036 CG LEU B 56 16.327 -3.902 -2.354 1.00 0.00 C ATOM 2037 CD1 LEU B 56 16.944 -3.557 -1.009 1.00 0.00 C ATOM 2038 CD2 LEU B 56 16.557 -2.776 -3.344 1.00 0.00 C ATOM 0 H LEU B 56 18.193 -5.933 -0.911 1.00 0.00 H new ATOM 0 HA LEU B 56 15.528 -6.429 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU B 56 17.971 -5.127 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU B 56 16.510 -5.350 -3.925 1.00 0.00 H new ATOM 0 HG LEU B 56 15.255 -4.032 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.524 -2.619 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU B 56 16.728 -4.352 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU B 56 18.023 -3.452 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU B 56 16.156 -1.847 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.626 -2.662 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU B 56 16.055 -3.009 -4.283 1.00 0.00 H new ATOM 2050 N SER B 57 17.920 -8.323 -2.911 1.00 0.00 N ATOM 2051 CA SER B 57 18.232 -9.527 -3.671 1.00 0.00 C ATOM 2052 C SER B 57 17.271 -10.656 -3.306 1.00 0.00 C ATOM 2053 O SER B 57 16.803 -11.391 -4.178 1.00 0.00 O ATOM 2054 CB SER B 57 19.684 -9.954 -3.405 1.00 0.00 C ATOM 2055 OG SER B 57 20.057 -11.070 -4.202 1.00 0.00 O ATOM 0 H SER B 57 18.682 -7.997 -2.317 1.00 0.00 H new ATOM 0 HA SER B 57 18.117 -9.309 -4.733 1.00 0.00 H new ATOM 0 HB2 SER B 57 20.353 -9.119 -3.612 1.00 0.00 H new ATOM 0 HB3 SER B 57 19.803 -10.204 -2.351 1.00 0.00 H new ATOM 0 HG SER B 57 20.986 -11.314 -4.009 1.00 0.00 H new ATOM 2061 N ASP B 58 16.964 -10.768 -2.018 1.00 0.00 N ATOM 2062 CA ASP B 58 16.082 -11.823 -1.524 1.00 0.00 C ATOM 2063 C ASP B 58 14.670 -11.648 -2.075 1.00 0.00 C ATOM 2064 O ASP B 58 14.024 -12.614 -2.482 1.00 0.00 O ATOM 2065 CB ASP B 58 16.047 -11.807 0.007 1.00 0.00 C ATOM 2066 CG ASP B 58 15.258 -12.967 0.587 1.00 0.00 C ATOM 2067 OD1 ASP B 58 14.013 -12.921 0.559 1.00 0.00 O ATOM 2068 OD2 ASP B 58 15.886 -13.923 1.087 1.00 0.00 O ATOM 0 H ASP B 58 17.313 -10.140 -1.294 1.00 0.00 H new ATOM 0 HA ASP B 58 16.472 -12.782 -1.864 1.00 0.00 H new ATOM 0 HB2 ASP B 58 17.067 -11.839 0.390 1.00 0.00 H new ATOM 0 HB3 ASP B 58 15.608 -10.869 0.347 1.00 0.00 H new ATOM 2073 N TYR B 59 14.205 -10.405 -2.101 1.00 0.00 N ATOM 2074 CA TYR B 59 12.866 -10.098 -2.596 1.00 0.00 C ATOM 2075 C TYR B 59 12.834 -10.061 -4.120 1.00 0.00 C ATOM 2076 O TYR B 59 11.782 -9.832 -4.720 1.00 0.00 O ATOM 2077 CB TYR B 59 12.379 -8.760 -2.037 1.00 0.00 C ATOM 2078 CG TYR B 59 12.137 -8.762 -0.544 1.00 0.00 C ATOM 2079 CD1 TYR B 59 10.970 -9.297 -0.013 1.00 0.00 C ATOM 2080 CD2 TYR B 59 13.065 -8.216 0.332 1.00 0.00 C ATOM 2081 CE1 TYR B 59 10.734 -9.286 1.347 1.00 0.00 C ATOM 2082 CE2 TYR B 59 12.838 -8.205 1.696 1.00 0.00 C ATOM 2083 CZ TYR B 59 11.671 -8.740 2.198 1.00 0.00 C ATOM 2084 OH TYR B 59 11.436 -8.728 3.555 1.00 0.00 O ATOM 0 H TYR B 59 14.734 -9.592 -1.785 1.00 0.00 H new ATOM 0 HA TYR B 59 12.200 -10.891 -2.256 1.00 0.00 H new ATOM 0 HB2 TYR B 59 13.115 -7.991 -2.273 1.00 0.00 H new ATOM 0 HB3 TYR B 59 11.454 -8.483 -2.543 1.00 0.00 H new ATOM 0 HD1 TYR B 59 10.235 -9.729 -0.676 1.00 0.00 H new ATOM 0 HD2 TYR B 59 13.979 -7.793 -0.058 1.00 0.00 H new ATOM 0 HE1 TYR B 59 9.820 -9.703 1.742 1.00 0.00 H new ATOM 0 HE2 TYR B 59 13.571 -7.779 2.365 1.00 0.00 H new ATOM 0 HH TYR B 59 11.604 -7.829 3.908 1.00 0.00 H new ATOM 2094 N ASN B 60 13.997 -10.278 -4.736 1.00 0.00 N ATOM 2095 CA ASN B 60 14.120 -10.322 -6.195 1.00 0.00 C ATOM 2096 C ASN B 60 13.712 -8.996 -6.828 1.00 0.00 C ATOM 2097 O ASN B 60 13.081 -8.959 -7.888 1.00 0.00 O ATOM 2098 CB ASN B 60 13.284 -11.472 -6.768 1.00 0.00 C ATOM 2099 CG ASN B 60 13.927 -12.826 -6.531 1.00 0.00 C ATOM 2100 OD1 ASN B 60 14.656 -13.333 -7.382 1.00 0.00 O ATOM 2101 ND2 ASN B 60 13.666 -13.421 -5.377 1.00 0.00 N ATOM 0 H ASN B 60 14.876 -10.428 -4.241 1.00 0.00 H new ATOM 0 HA ASN B 60 15.168 -10.497 -6.437 1.00 0.00 H new ATOM 0 HB2 ASN B 60 12.293 -11.459 -6.314 1.00 0.00 H new ATOM 0 HB3 ASN B 60 13.147 -11.320 -7.839 1.00 0.00 H new ATOM 0 HD21 ASN B 60 14.075 -14.332 -5.169 1.00 0.00 H new ATOM 0 HD22 ASN B 60 13.056 -12.968 -4.696 1.00 0.00 H new ATOM 2108 N ILE B 61 14.102 -7.907 -6.183 1.00 0.00 N ATOM 2109 CA ILE B 61 13.792 -6.572 -6.674 1.00 0.00 C ATOM 2110 C ILE B 61 14.813 -6.138 -7.724 1.00 0.00 C ATOM 2111 O ILE B 61 16.020 -6.177 -7.481 1.00 0.00 O ATOM 2112 CB ILE B 61 13.765 -5.545 -5.521 1.00 0.00 C ATOM 2113 CG1 ILE B 61 12.737 -5.966 -4.465 1.00 0.00 C ATOM 2114 CG2 ILE B 61 13.449 -4.153 -6.053 1.00 0.00 C ATOM 2115 CD1 ILE B 61 12.692 -5.051 -3.260 1.00 0.00 C ATOM 0 H ILE B 61 14.636 -7.922 -5.314 1.00 0.00 H new ATOM 0 HA ILE B 61 12.802 -6.609 -7.128 1.00 0.00 H new ATOM 0 HB ILE B 61 14.750 -5.515 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE B 61 11.749 -5.996 -4.924 1.00 0.00 H new ATOM 0 HG13 ILE B 61 12.965 -6.979 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE B 61 13.434 -3.442 -5.227 1.00 0.00 H new ATOM 0 HG22 ILE B 61 14.212 -3.857 -6.773 1.00 0.00 H new ATOM 0 HG23 ILE B 61 12.474 -4.163 -6.541 1.00 0.00 H new ATOM 0 HD11 ILE B 61 11.942 -5.412 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE B 61 13.668 -5.039 -2.775 1.00 0.00 H new ATOM 0 HD13 ILE B 61 12.434 -4.041 -3.579 1.00 0.00 H new ATOM 2127 N GLN B 62 14.326 -5.753 -8.895 1.00 0.00 N ATOM 2128 CA GLN B 62 15.192 -5.273 -9.967 1.00 0.00 C ATOM 2129 C GLN B 62 15.073 -3.761 -10.102 1.00 0.00 C ATOM 2130 O GLN B 62 14.237 -3.139 -9.445 1.00 0.00 O ATOM 2131 CB GLN B 62 14.836 -5.950 -11.291 1.00 0.00 C ATOM 2132 CG GLN B 62 15.024 -7.459 -11.275 1.00 0.00 C ATOM 2133 CD GLN B 62 14.650 -8.105 -12.592 1.00 0.00 C ATOM 2134 OE1 GLN B 62 13.499 -8.487 -12.806 1.00 0.00 O ATOM 2135 NE2 GLN B 62 15.618 -8.228 -13.487 1.00 0.00 N ATOM 0 H GLN B 62 13.333 -5.763 -9.129 1.00 0.00 H new ATOM 0 HA GLN B 62 16.222 -5.525 -9.716 1.00 0.00 H new ATOM 0 HB2 GLN B 62 13.798 -5.724 -11.537 1.00 0.00 H new ATOM 0 HB3 GLN B 62 15.451 -5.524 -12.084 1.00 0.00 H new ATOM 0 HG2 GLN B 62 16.064 -7.690 -11.044 1.00 0.00 H new ATOM 0 HG3 GLN B 62 14.417 -7.889 -10.478 1.00 0.00 H new ATOM 0 HE21 GLN B 62 16.558 -7.898 -13.270 1.00 0.00 H new ATOM 0 HE22 GLN B 62 15.423 -8.652 -14.394 1.00 0.00 H new ATOM 2144 N LYS B 63 15.897 -3.170 -10.958 1.00 0.00 N ATOM 2145 CA LYS B 63 15.913 -1.720 -11.121 1.00 0.00 C ATOM 2146 C LYS B 63 14.676 -1.224 -11.861 1.00 0.00 C ATOM 2147 O LYS B 63 14.038 -1.973 -12.605 1.00 0.00 O ATOM 2148 CB LYS B 63 17.179 -1.263 -11.853 1.00 0.00 C ATOM 2149 CG LYS B 63 17.353 -1.852 -13.247 1.00 0.00 C ATOM 2150 CD LYS B 63 18.718 -1.495 -13.819 1.00 0.00 C ATOM 2151 CE LYS B 63 18.811 -0.033 -14.238 1.00 0.00 C ATOM 2152 NZ LYS B 63 18.163 0.222 -15.553 1.00 0.00 N ATOM 0 H LYS B 63 16.561 -3.670 -11.549 1.00 0.00 H new ATOM 0 HA LYS B 63 15.908 -1.286 -10.121 1.00 0.00 H new ATOM 0 HB2 LYS B 63 17.165 -0.176 -11.931 1.00 0.00 H new ATOM 0 HB3 LYS B 63 18.047 -1.528 -11.250 1.00 0.00 H new ATOM 0 HG2 LYS B 63 17.244 -2.936 -13.205 1.00 0.00 H new ATOM 0 HG3 LYS B 63 16.569 -1.478 -13.905 1.00 0.00 H new ATOM 0 HD2 LYS B 63 19.486 -1.706 -13.075 1.00 0.00 H new ATOM 0 HD3 LYS B 63 18.925 -2.130 -14.680 1.00 0.00 H new ATOM 0 HE2 LYS B 63 18.341 0.591 -13.477 1.00 0.00 H new ATOM 0 HE3 LYS B 63 19.859 0.262 -14.289 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 18.147 1.245 -15.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 18.699 -0.259 -16.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 17.189 -0.142 -15.536 1.00 0.00 H new ATOM 2166 N GLU B 64 14.350 0.049 -11.630 1.00 0.00 N ATOM 2167 CA GLU B 64 13.226 0.718 -12.282 1.00 0.00 C ATOM 2168 C GLU B 64 11.902 0.090 -11.870 1.00 0.00 C ATOM 2169 O GLU B 64 10.891 0.220 -12.561 1.00 0.00 O ATOM 2170 CB GLU B 64 13.391 0.691 -13.800 1.00 0.00 C ATOM 2171 CG GLU B 64 14.641 1.409 -14.276 1.00 0.00 C ATOM 2172 CD GLU B 64 14.928 1.175 -15.740 1.00 0.00 C ATOM 2173 OE1 GLU B 64 15.505 0.115 -16.067 1.00 0.00 O ATOM 2174 OE2 GLU B 64 14.597 2.051 -16.564 1.00 0.00 O ATOM 0 H GLU B 64 14.862 0.647 -10.981 1.00 0.00 H new ATOM 0 HA GLU B 64 13.217 1.758 -11.957 1.00 0.00 H new ATOM 0 HB2 GLU B 64 13.423 -0.345 -14.138 1.00 0.00 H new ATOM 0 HB3 GLU B 64 12.517 1.150 -14.263 1.00 0.00 H new ATOM 0 HG2 GLU B 64 14.530 2.479 -14.099 1.00 0.00 H new ATOM 0 HG3 GLU B 64 15.494 1.075 -13.685 1.00 0.00 H new ATOM 2181 N SER B 65 11.910 -0.576 -10.730 1.00 0.00 N ATOM 2182 CA SER B 65 10.703 -1.156 -10.187 1.00 0.00 C ATOM 2183 C SER B 65 9.918 -0.095 -9.425 1.00 0.00 C ATOM 2184 O SER B 65 10.504 0.796 -8.807 1.00 0.00 O ATOM 2185 CB SER B 65 11.055 -2.334 -9.281 1.00 0.00 C ATOM 2186 OG SER B 65 12.093 -1.990 -8.381 1.00 0.00 O ATOM 0 H SER B 65 12.744 -0.727 -10.163 1.00 0.00 H new ATOM 0 HA SER B 65 10.079 -1.526 -11.000 1.00 0.00 H new ATOM 0 HB2 SER B 65 10.172 -2.644 -8.722 1.00 0.00 H new ATOM 0 HB3 SER B 65 11.363 -3.185 -9.888 1.00 0.00 H new ATOM 0 HG SER B 65 12.908 -2.478 -8.620 1.00 0.00 H new ATOM 2192 N THR B 66 8.600 -0.165 -9.497 1.00 0.00 N ATOM 2193 CA THR B 66 7.759 0.801 -8.818 1.00 0.00 C ATOM 2194 C THR B 66 7.282 0.257 -7.479 1.00 0.00 C ATOM 2195 O THR B 66 6.375 -0.576 -7.414 1.00 0.00 O ATOM 2196 CB THR B 66 6.545 1.183 -9.677 1.00 0.00 C ATOM 2197 OG1 THR B 66 6.980 1.501 -11.006 1.00 0.00 O ATOM 2198 CG2 THR B 66 5.812 2.376 -9.078 1.00 0.00 C ATOM 0 H THR B 66 8.092 -0.880 -10.018 1.00 0.00 H new ATOM 0 HA THR B 66 8.362 1.693 -8.648 1.00 0.00 H new ATOM 0 HB THR B 66 5.859 0.336 -9.706 1.00 0.00 H new ATOM 0 HG1 THR B 66 6.205 1.743 -11.555 1.00 0.00 H new ATOM 0 HG21 THR B 66 4.956 2.628 -9.704 1.00 0.00 H new ATOM 0 HG22 THR B 66 5.467 2.125 -8.075 1.00 0.00 H new ATOM 0 HG23 THR B 66 6.488 3.230 -9.026 1.00 0.00 H new ATOM 2206 N LEU B 67 7.914 0.715 -6.415 1.00 0.00 N ATOM 2207 CA LEU B 67 7.523 0.334 -5.072 1.00 0.00 C ATOM 2208 C LEU B 67 6.543 1.354 -4.523 1.00 0.00 C ATOM 2209 O LEU B 67 6.670 2.546 -4.783 1.00 0.00 O ATOM 2210 CB LEU B 67 8.742 0.236 -4.143 1.00 0.00 C ATOM 2211 CG LEU B 67 9.710 -0.924 -4.417 1.00 0.00 C ATOM 2212 CD1 LEU B 67 10.490 -0.709 -5.704 1.00 0.00 C ATOM 2213 CD2 LEU B 67 10.663 -1.090 -3.249 1.00 0.00 C ATOM 0 H LEU B 67 8.706 1.356 -6.456 1.00 0.00 H new ATOM 0 HA LEU B 67 7.052 -0.648 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU B 67 9.299 1.170 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU B 67 8.385 0.149 -3.117 1.00 0.00 H new ATOM 0 HG LEU B 67 9.120 -1.833 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU B 67 11.165 -1.550 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU B 67 9.797 -0.635 -6.542 1.00 0.00 H new ATOM 0 HD13 LEU B 67 11.069 0.212 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU B 67 11.346 -1.915 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU B 67 11.234 -0.172 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU B 67 10.095 -1.303 -2.343 1.00 0.00 H new ATOM 2225 N HIS B 68 5.554 0.887 -3.788 1.00 0.00 N ATOM 2226 CA HIS B 68 4.585 1.777 -3.173 1.00 0.00 C ATOM 2227 C HIS B 68 4.868 1.884 -1.688 1.00 0.00 C ATOM 2228 O HIS B 68 4.857 0.881 -0.974 1.00 0.00 O ATOM 2229 CB HIS B 68 3.154 1.280 -3.408 1.00 0.00 C ATOM 2230 CG HIS B 68 2.749 1.260 -4.849 1.00 0.00 C ATOM 2231 ND1 HIS B 68 2.012 2.264 -5.441 1.00 0.00 N ATOM 2232 CD2 HIS B 68 2.975 0.344 -5.821 1.00 0.00 C ATOM 2233 CE1 HIS B 68 1.803 1.965 -6.707 1.00 0.00 C ATOM 2234 NE2 HIS B 68 2.376 0.808 -6.965 1.00 0.00 N ATOM 0 H HIS B 68 5.399 -0.104 -3.601 1.00 0.00 H new ATOM 0 HA HIS B 68 4.675 2.762 -3.631 1.00 0.00 H new ATOM 0 HB2 HIS B 68 3.057 0.274 -2.999 1.00 0.00 H new ATOM 0 HB3 HIS B 68 2.463 1.917 -2.855 1.00 0.00 H new ATOM 0 HD1 HIS B 68 1.680 3.107 -4.972 1.00 0.00 H new ATOM 0 HD2 HIS B 68 3.524 -0.580 -5.715 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.254 2.568 -7.415 1.00 0.00 H new ATOM 2243 N LEU B 69 5.140 3.093 -1.230 1.00 0.00 N ATOM 2244 CA LEU B 69 5.480 3.308 0.163 1.00 0.00 C ATOM 2245 C LEU B 69 4.227 3.594 0.977 1.00 0.00 C ATOM 2246 O LEU B 69 3.661 4.686 0.912 1.00 0.00 O ATOM 2247 CB LEU B 69 6.480 4.458 0.303 1.00 0.00 C ATOM 2248 CG LEU B 69 7.069 4.632 1.704 1.00 0.00 C ATOM 2249 CD1 LEU B 69 7.814 3.374 2.128 1.00 0.00 C ATOM 2250 CD2 LEU B 69 7.991 5.841 1.748 1.00 0.00 C ATOM 0 H LEU B 69 5.132 3.938 -1.801 1.00 0.00 H new ATOM 0 HA LEU B 69 5.945 2.400 0.547 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.296 4.298 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU B 69 5.987 5.386 0.014 1.00 0.00 H new ATOM 0 HG LEU B 69 6.251 4.799 2.405 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.227 3.515 3.127 1.00 0.00 H new ATOM 0 HD12 LEU B 69 7.126 2.529 2.136 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.624 3.176 1.425 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.401 5.950 2.752 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.805 5.704 1.036 1.00 0.00 H new ATOM 0 HD23 LEU B 69 7.428 6.737 1.487 1.00 0.00 H new ATOM 2262 N VAL B 70 3.793 2.597 1.726 1.00 0.00 N ATOM 2263 CA VAL B 70 2.621 2.727 2.574 1.00 0.00 C ATOM 2264 C VAL B 70 3.046 2.821 4.031 1.00 0.00 C ATOM 2265 O VAL B 70 3.821 1.993 4.515 1.00 0.00 O ATOM 2266 CB VAL B 70 1.653 1.541 2.377 1.00 0.00 C ATOM 2267 CG1 VAL B 70 0.423 1.686 3.259 1.00 0.00 C ATOM 2268 CG2 VAL B 70 1.244 1.428 0.918 1.00 0.00 C ATOM 0 H VAL B 70 4.239 1.680 1.764 1.00 0.00 H new ATOM 0 HA VAL B 70 2.095 3.639 2.291 1.00 0.00 H new ATOM 0 HB VAL B 70 2.174 0.629 2.669 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.241 0.837 3.099 1.00 0.00 H new ATOM 0 HG12 VAL B 70 0.727 1.717 4.305 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -0.100 2.608 3.005 1.00 0.00 H new ATOM 0 HG21 VAL B 70 0.561 0.587 0.796 1.00 0.00 H new ATOM 0 HG22 VAL B 70 0.747 2.347 0.607 1.00 0.00 H new ATOM 0 HG23 VAL B 70 2.130 1.269 0.303 1.00 0.00 H new ATOM 2278 N LEU B 71 2.554 3.839 4.718 1.00 0.00 N ATOM 2279 CA LEU B 71 2.946 4.092 6.094 1.00 0.00 C ATOM 2280 C LEU B 71 2.324 3.074 7.043 1.00 0.00 C ATOM 2281 O LEU B 71 1.365 2.397 6.699 1.00 0.00 O ATOM 2282 CB LEU B 71 2.561 5.506 6.513 1.00 0.00 C ATOM 2283 CG LEU B 71 3.218 6.624 5.704 1.00 0.00 C ATOM 2284 CD1 LEU B 71 3.023 7.949 6.405 1.00 0.00 C ATOM 2285 CD2 LEU B 71 4.699 6.344 5.485 1.00 0.00 C ATOM 0 H LEU B 71 1.880 4.506 4.343 1.00 0.00 H new ATOM 0 HA LEU B 71 4.030 3.992 6.152 1.00 0.00 H new ATOM 0 HB2 LEU B 71 1.479 5.610 6.434 1.00 0.00 H new ATOM 0 HB3 LEU B 71 2.818 5.640 7.564 1.00 0.00 H new ATOM 0 HG LEU B 71 2.741 6.669 4.725 1.00 0.00 H new ATOM 0 HD11 LEU B 71 3.494 8.741 5.823 1.00 0.00 H new ATOM 0 HD12 LEU B 71 1.957 8.155 6.503 1.00 0.00 H new ATOM 0 HD13 LEU B 71 3.477 7.907 7.395 1.00 0.00 H new ATOM 0 HD21 LEU B 71 5.141 7.155 4.907 1.00 0.00 H new ATOM 0 HD22 LEU B 71 5.202 6.270 6.449 1.00 0.00 H new ATOM 0 HD23 LEU B 71 4.816 5.406 4.942 1.00 0.00 H new ATOM 2297 N ARG B 72 2.909 2.942 8.222 1.00 0.00 N ATOM 2298 CA ARG B 72 2.374 2.060 9.251 1.00 0.00 C ATOM 2299 C ARG B 72 1.535 2.855 10.241 1.00 0.00 C ATOM 2300 O ARG B 72 0.971 2.292 11.180 1.00 0.00 O ATOM 2301 CB ARG B 72 3.508 1.342 9.990 1.00 0.00 C ATOM 2302 CG ARG B 72 4.260 0.334 9.137 1.00 0.00 C ATOM 2303 CD ARG B 72 3.365 -0.818 8.710 1.00 0.00 C ATOM 2304 NE ARG B 72 2.869 -1.586 9.853 1.00 0.00 N ATOM 2305 CZ ARG B 72 1.843 -2.438 9.790 1.00 0.00 C ATOM 2306 NH1 ARG B 72 1.203 -2.619 8.642 1.00 0.00 N ATOM 2307 NH2 ARG B 72 1.457 -3.101 10.873 1.00 0.00 N ATOM 0 H ARG B 72 3.759 3.436 8.493 1.00 0.00 H new ATOM 0 HA ARG B 72 1.744 1.313 8.768 1.00 0.00 H new ATOM 0 HB2 ARG B 72 4.213 2.085 10.363 1.00 0.00 H new ATOM 0 HB3 ARG B 72 3.095 0.831 10.859 1.00 0.00 H new ATOM 0 HG2 ARG B 72 4.660 0.831 8.253 1.00 0.00 H new ATOM 0 HG3 ARG B 72 5.111 -0.054 9.697 1.00 0.00 H new ATOM 0 HD2 ARG B 72 2.520 -0.428 8.142 1.00 0.00 H new ATOM 0 HD3 ARG B 72 3.919 -1.479 8.044 1.00 0.00 H new ATOM 0 HE ARG B 72 3.335 -1.463 10.752 1.00 0.00 H new ATOM 0 HH11 ARG B 72 1.495 -2.108 7.809 1.00 0.00 H new ATOM 0 HH12 ARG B 72 0.419 -3.270 8.592 1.00 0.00 H new ATOM 0 HH21 ARG B 72 1.945 -2.961 11.758 1.00 0.00 H new ATOM 0 HH22 ARG B 72 0.673 -3.751 10.821 1.00 0.00 H new ATOM 2321 N LEU B 73 1.483 4.173 10.025 1.00 0.00 N ATOM 2322 CA LEU B 73 0.727 5.096 10.876 1.00 0.00 C ATOM 2323 C LEU B 73 1.194 5.018 12.337 1.00 0.00 C ATOM 2324 O LEU B 73 0.475 5.403 13.263 1.00 0.00 O ATOM 2325 CB LEU B 73 -0.776 4.804 10.766 1.00 0.00 C ATOM 2326 CG LEU B 73 -1.702 5.901 11.294 1.00 0.00 C ATOM 2327 CD1 LEU B 73 -1.451 7.209 10.558 1.00 0.00 C ATOM 2328 CD2 LEU B 73 -3.158 5.479 11.156 1.00 0.00 C ATOM 0 H LEU B 73 1.966 4.631 9.252 1.00 0.00 H new ATOM 0 HA LEU B 73 0.913 6.112 10.527 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -1.017 4.623 9.719 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -0.989 3.882 11.306 1.00 0.00 H new ATOM 0 HG LEU B 73 -1.488 6.056 12.351 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.118 7.979 10.946 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -0.416 7.517 10.707 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.639 7.069 9.493 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -3.804 6.270 11.536 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -3.386 5.298 10.106 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -3.328 4.566 11.727 1.00 0.00 H new