USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 746 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 57 TYR OH : rot -46:sc= 0.023 USER MOD Set 1.2: A 70 ASN :FLIP amide:sc= -0.163 F(o=-0.72,f=-0.14) USER MOD Single : A 16 SER OG : rot 180:sc= -0.173 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 170:sc= -0.0948 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -5.65! C(o=-5.7!,f=-20!) USER MOD Single : A 28 GLN : amide:sc= -5.08! C(o=-5.1!,f=-8!) USER MOD Single : A 37 ASN : amide:sc= 0.81 K(o=0.81,f=-0.95) USER MOD Single : A 38 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0643) USER MOD Single : A 47 THR OG1 : rot -174:sc= -1.6! USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 86:sc= 1.09 USER MOD Single : A 52 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.1) USER MOD Single : A 54 GLN : amide:sc= -0.882 K(o=-0.88,f=-2.1!) USER MOD Single : A 56 MET CE :methyl 162:sc= -1.7 (180deg=-3.61!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -8.89! C(o=-8.9!,f=-9.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1.45 K(o=-1.5,f=-6.3!) USER MOD Single : A 78 ASN : amide:sc= -2.87! C(o=-2.9!,f=-4.1!) USER MOD Single : A 82 TYR OH : rot 30:sc= -0.462 USER MOD Single : A 83 CYS SG : rot 170:sc= -0.301 USER MOD Single : A 86 TYR OH : rot -73:sc= 1.19 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 69:sc= -0.382 USER MOD Single : A 93 LYS NZ :NH3+ -136:sc= 0.091 (180deg=-0.345) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= 0.797 F(o=-0.076,f=0.8) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 9 -8.086 -1.623 -1.283 1.00 0.00 N ATOM 84 CA VAL A 9 -7.359 -0.771 -2.209 1.00 0.00 C ATOM 85 C VAL A 9 -6.038 -0.339 -1.569 1.00 0.00 C ATOM 86 O VAL A 9 -6.034 0.389 -0.577 1.00 0.00 O ATOM 87 CB VAL A 9 -8.235 0.411 -2.630 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.377 1.598 -3.072 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.215 0.003 -3.731 1.00 0.00 C ATOM 0 HA VAL A 9 -7.115 -1.318 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.817 0.722 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.024 2.425 -3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.738 1.913 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.757 1.303 -3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.825 0.862 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.660 -0.347 -4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.860 -0.797 -3.366 1.00 0.00 H new ATOM 99 N ILE A 10 -4.949 -0.806 -2.162 1.00 0.00 N ATOM 100 CA ILE A 10 -3.625 -0.477 -1.661 1.00 0.00 C ATOM 101 C ILE A 10 -3.256 0.940 -2.103 1.00 0.00 C ATOM 102 O ILE A 10 -2.493 1.120 -3.051 1.00 0.00 O ATOM 103 CB ILE A 10 -2.611 -1.539 -2.090 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.957 -2.903 -1.488 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.185 -1.106 -1.747 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.125 -2.805 0.030 1.00 0.00 C ATOM 0 H ILE A 10 -4.956 -1.409 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.617 -0.484 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.664 -1.643 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.877 -3.280 -1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.170 -3.619 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.484 -1.879 -2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.954 -0.174 -2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.099 -0.956 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.370 -3.788 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.196 -2.451 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.929 -2.106 0.263 1.00 0.00 H new ATOM 118 N ARG A 11 -3.814 1.911 -1.394 1.00 0.00 N ATOM 119 CA ARG A 11 -3.552 3.307 -1.701 1.00 0.00 C ATOM 120 C ARG A 11 -2.048 3.587 -1.659 1.00 0.00 C ATOM 121 O ARG A 11 -1.481 3.790 -0.587 1.00 0.00 O ATOM 122 CB ARG A 11 -4.264 4.231 -0.712 1.00 0.00 C ATOM 123 CG ARG A 11 -5.771 3.965 -0.700 1.00 0.00 C ATOM 124 CD ARG A 11 -6.507 5.018 0.132 1.00 0.00 C ATOM 125 NE ARG A 11 -7.927 4.633 0.293 1.00 0.00 N ATOM 126 CZ ARG A 11 -8.793 5.273 1.090 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.389 6.333 1.804 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.063 4.854 1.174 1.00 0.00 N ATOM 0 H ARG A 11 -4.446 1.758 -0.608 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.933 3.503 -2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.857 4.082 0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.077 5.271 -0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.153 3.971 -1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.966 2.973 -0.292 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.035 5.116 1.110 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.438 5.991 -0.354 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.268 3.830 -0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.422 6.652 1.740 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.048 6.820 2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.371 4.047 0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.722 5.342 1.781 1.00 0.00 H new ATOM 142 N VAL A 12 -1.446 3.589 -2.839 1.00 0.00 N ATOM 143 CA VAL A 12 -0.019 3.841 -2.950 1.00 0.00 C ATOM 144 C VAL A 12 0.211 5.322 -3.259 1.00 0.00 C ATOM 145 O VAL A 12 0.117 5.741 -4.412 1.00 0.00 O ATOM 146 CB VAL A 12 0.597 2.909 -3.996 1.00 0.00 C ATOM 147 CG1 VAL A 12 2.062 3.266 -4.253 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.454 1.445 -3.578 1.00 0.00 C ATOM 0 H VAL A 12 -1.920 3.420 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 12 0.482 3.625 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 12 0.051 3.045 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.476 2.589 -5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.128 4.291 -4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.627 3.173 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.900 0.804 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.962 1.287 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.602 1.199 -3.470 1.00 0.00 H new ATOM 158 N PHE A 13 0.507 6.073 -2.209 1.00 0.00 N ATOM 159 CA PHE A 13 0.750 7.498 -2.354 1.00 0.00 C ATOM 160 C PHE A 13 2.012 7.758 -3.179 1.00 0.00 C ATOM 161 O PHE A 13 3.032 7.099 -2.985 1.00 0.00 O ATOM 162 CB PHE A 13 0.951 8.063 -0.946 1.00 0.00 C ATOM 163 CG PHE A 13 -0.351 8.314 -0.184 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.357 7.400 -0.237 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.504 9.451 0.547 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.566 7.632 0.470 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.713 9.683 1.254 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.719 8.769 1.201 1.00 0.00 C ATOM 0 H PHE A 13 0.584 5.722 -1.254 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.090 7.968 -2.866 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.568 7.371 -0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.505 8.999 -1.017 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.236 6.497 -0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.294 10.177 0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.364 6.906 0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.834 10.586 1.834 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.639 8.946 1.739 1.00 0.00 H new ATOM 178 N ILE A 14 1.901 8.720 -4.084 1.00 0.00 N ATOM 179 CA ILE A 14 3.020 9.074 -4.940 1.00 0.00 C ATOM 180 C ILE A 14 3.061 10.594 -5.116 1.00 0.00 C ATOM 181 O ILE A 14 2.070 11.278 -4.863 1.00 0.00 O ATOM 182 CB ILE A 14 2.950 8.304 -6.260 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.704 8.695 -7.058 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.026 6.795 -6.020 1.00 0.00 C ATOM 185 CD1 ILE A 14 2.086 9.321 -8.400 1.00 0.00 C ATOM 0 H ILE A 14 1.053 9.265 -4.243 1.00 0.00 H new ATOM 0 HA ILE A 14 3.962 8.781 -4.476 1.00 0.00 H new ATOM 0 HB ILE A 14 3.817 8.578 -6.861 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.085 7.814 -7.227 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.105 9.400 -6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.974 6.272 -6.975 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.966 6.552 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.192 6.484 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.182 9.589 -8.947 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.685 10.215 -8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.664 8.605 -8.984 1.00 0.00 H new ATOM 197 N ALA A 15 4.216 11.077 -5.548 1.00 0.00 N ATOM 198 CA ALA A 15 4.399 12.502 -5.760 1.00 0.00 C ATOM 199 C ALA A 15 5.049 12.731 -7.126 1.00 0.00 C ATOM 200 O ALA A 15 6.271 12.823 -7.229 1.00 0.00 O ATOM 201 CB ALA A 15 5.228 13.087 -4.615 1.00 0.00 C ATOM 0 H ALA A 15 5.035 10.506 -5.757 1.00 0.00 H new ATOM 0 HA ALA A 15 3.438 13.016 -5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.365 14.157 -4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.709 12.925 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.201 12.597 -4.583 1.00 0.00 H new ATOM 207 N SER A 16 4.202 12.817 -8.142 1.00 0.00 N ATOM 208 CA SER A 16 4.678 13.033 -9.497 1.00 0.00 C ATOM 209 C SER A 16 5.873 13.988 -9.486 1.00 0.00 C ATOM 210 O SER A 16 7.023 13.550 -9.494 1.00 0.00 O ATOM 211 CB SER A 16 3.566 13.585 -10.390 1.00 0.00 C ATOM 212 OG SER A 16 4.084 14.249 -11.540 1.00 0.00 O ATOM 0 H SER A 16 3.189 12.741 -8.053 1.00 0.00 H new ATOM 0 HA SER A 16 4.992 12.073 -9.906 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.915 12.769 -10.705 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.952 14.279 -9.817 1.00 0.00 H new ATOM 0 HG SER A 16 3.342 14.585 -12.085 1.00 0.00 H new ATOM 218 N SER A 17 5.561 15.276 -9.468 1.00 0.00 N ATOM 219 CA SER A 17 6.595 16.296 -9.455 1.00 0.00 C ATOM 220 C SER A 17 7.453 16.157 -8.196 1.00 0.00 C ATOM 221 O SER A 17 7.252 16.880 -7.221 1.00 0.00 O ATOM 222 CB SER A 17 5.986 17.698 -9.530 1.00 0.00 C ATOM 223 OG SER A 17 6.969 18.694 -9.800 1.00 0.00 O ATOM 0 H SER A 17 4.607 15.636 -9.462 1.00 0.00 H new ATOM 0 HA SER A 17 7.225 16.155 -10.333 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.224 17.721 -10.309 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.487 17.927 -8.588 1.00 0.00 H new ATOM 0 HG SER A 17 6.540 19.574 -9.842 1.00 0.00 H new ATOM 229 N SER A 18 8.390 15.223 -8.257 1.00 0.00 N ATOM 230 CA SER A 18 9.279 14.979 -7.134 1.00 0.00 C ATOM 231 C SER A 18 10.730 14.931 -7.616 1.00 0.00 C ATOM 232 O SER A 18 11.138 13.973 -8.271 1.00 0.00 O ATOM 233 CB SER A 18 8.914 13.679 -6.415 1.00 0.00 C ATOM 234 OG SER A 18 9.848 13.357 -5.387 1.00 0.00 O ATOM 0 H SER A 18 8.553 14.625 -9.067 1.00 0.00 H new ATOM 0 HA SER A 18 9.166 15.798 -6.424 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.917 13.771 -5.983 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.875 12.864 -7.137 1.00 0.00 H new ATOM 0 HG SER A 18 9.499 12.616 -4.848 1.00 0.00 H new ATOM 240 N GLY A 19 11.469 15.975 -7.273 1.00 0.00 N ATOM 241 CA GLY A 19 12.866 16.063 -7.663 1.00 0.00 C ATOM 242 C GLY A 19 13.707 15.014 -6.933 1.00 0.00 C ATOM 243 O GLY A 19 14.308 15.304 -5.900 1.00 0.00 O ATOM 0 H GLY A 19 11.127 16.767 -6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.956 15.921 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.247 17.059 -7.440 1.00 0.00 H new ATOM 247 N PHE A 20 13.721 13.816 -7.498 1.00 0.00 N ATOM 248 CA PHE A 20 14.477 12.721 -6.914 1.00 0.00 C ATOM 249 C PHE A 20 14.860 11.690 -7.978 1.00 0.00 C ATOM 250 O PHE A 20 16.007 11.250 -8.037 1.00 0.00 O ATOM 251 CB PHE A 20 13.571 12.054 -5.877 1.00 0.00 C ATOM 252 CG PHE A 20 13.629 12.702 -4.492 1.00 0.00 C ATOM 253 CD1 PHE A 20 12.867 13.795 -4.220 1.00 0.00 C ATOM 254 CD2 PHE A 20 14.442 12.184 -3.533 1.00 0.00 C ATOM 255 CE1 PHE A 20 12.920 14.396 -2.934 1.00 0.00 C ATOM 256 CE2 PHE A 20 14.496 12.785 -2.247 1.00 0.00 C ATOM 257 CZ PHE A 20 13.734 13.878 -1.975 1.00 0.00 C ATOM 0 H PHE A 20 13.221 13.579 -8.355 1.00 0.00 H new ATOM 0 HA PHE A 20 15.396 13.101 -6.467 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.542 12.081 -6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.850 11.004 -5.788 1.00 0.00 H new ATOM 0 HD1 PHE A 20 12.221 14.206 -4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 20 15.047 11.316 -3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.314 15.264 -2.718 1.00 0.00 H new ATOM 0 HE2 PHE A 20 15.142 12.374 -1.485 1.00 0.00 H new ATOM 0 HZ PHE A 20 13.775 14.335 -0.997 1.00 0.00 H new ATOM 267 N VAL A 21 13.877 11.334 -8.792 1.00 0.00 N ATOM 268 CA VAL A 21 14.096 10.363 -9.850 1.00 0.00 C ATOM 269 C VAL A 21 14.040 8.952 -9.261 1.00 0.00 C ATOM 270 O VAL A 21 13.292 8.103 -9.744 1.00 0.00 O ATOM 271 CB VAL A 21 15.415 10.659 -10.567 1.00 0.00 C ATOM 272 CG1 VAL A 21 16.453 9.573 -10.278 1.00 0.00 C ATOM 273 CG2 VAL A 21 15.195 10.821 -12.073 1.00 0.00 C ATOM 0 H VAL A 21 12.927 11.701 -8.740 1.00 0.00 H new ATOM 0 HA VAL A 21 13.310 10.433 -10.602 1.00 0.00 H new ATOM 0 HB VAL A 21 15.802 11.602 -10.181 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.381 9.808 -10.800 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.642 9.526 -9.205 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.077 8.610 -10.623 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.148 11.031 -12.559 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.774 9.902 -12.480 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.506 11.646 -12.253 1.00 0.00 H new ATOM 283 N ALA A 22 14.841 8.745 -8.226 1.00 0.00 N ATOM 284 CA ALA A 22 14.892 7.451 -7.566 1.00 0.00 C ATOM 285 C ALA A 22 13.495 7.086 -7.061 1.00 0.00 C ATOM 286 O ALA A 22 13.028 5.967 -7.272 1.00 0.00 O ATOM 287 CB ALA A 22 15.927 7.493 -6.440 1.00 0.00 C ATOM 0 H ALA A 22 15.460 9.451 -7.828 1.00 0.00 H new ATOM 0 HA ALA A 22 15.203 6.675 -8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.965 6.523 -5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.907 7.728 -6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.647 8.259 -5.717 1.00 0.00 H new ATOM 293 N ILE A 23 12.867 8.050 -6.404 1.00 0.00 N ATOM 294 CA ILE A 23 11.532 7.843 -5.868 1.00 0.00 C ATOM 295 C ILE A 23 10.642 7.230 -6.950 1.00 0.00 C ATOM 296 O ILE A 23 9.952 6.241 -6.705 1.00 0.00 O ATOM 297 CB ILE A 23 10.982 9.146 -5.284 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.863 9.647 -4.137 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.523 8.981 -4.856 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.416 11.034 -3.670 1.00 0.00 C ATOM 0 H ILE A 23 13.258 8.976 -6.231 1.00 0.00 H new ATOM 0 HA ILE A 23 11.559 7.135 -5.039 1.00 0.00 H new ATOM 0 HB ILE A 23 11.005 9.907 -6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.816 8.946 -3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.903 9.686 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.156 9.921 -4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.920 8.703 -5.720 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.452 8.201 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.058 11.368 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.488 11.738 -4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.384 10.986 -3.323 1.00 0.00 H new ATOM 312 N LYS A 24 10.685 7.842 -8.124 1.00 0.00 N ATOM 313 CA LYS A 24 9.890 7.369 -9.245 1.00 0.00 C ATOM 314 C LYS A 24 10.045 5.852 -9.370 1.00 0.00 C ATOM 315 O LYS A 24 9.076 5.111 -9.213 1.00 0.00 O ATOM 316 CB LYS A 24 10.255 8.131 -10.520 1.00 0.00 C ATOM 317 CG LYS A 24 9.201 9.191 -10.847 1.00 0.00 C ATOM 318 CD LYS A 24 9.488 9.852 -12.196 1.00 0.00 C ATOM 319 CE LYS A 24 9.891 11.317 -12.014 1.00 0.00 C ATOM 320 NZ LYS A 24 9.610 12.089 -13.245 1.00 0.00 N ATOM 0 H LYS A 24 11.258 8.662 -8.324 1.00 0.00 H new ATOM 0 HA LYS A 24 8.832 7.569 -9.073 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.228 8.607 -10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.344 7.433 -11.352 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.212 8.732 -10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.186 9.948 -10.063 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.285 9.313 -12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.604 9.790 -12.831 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.346 11.749 -11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.952 11.381 -11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.889 13.081 -13.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.149 11.687 -14.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.593 12.043 -13.459 1.00 0.00 H new ATOM 334 N LYS A 25 11.271 5.435 -9.650 1.00 0.00 N ATOM 335 CA LYS A 25 11.565 4.020 -9.798 1.00 0.00 C ATOM 336 C LYS A 25 10.805 3.232 -8.729 1.00 0.00 C ATOM 337 O LYS A 25 10.016 2.345 -9.050 1.00 0.00 O ATOM 338 CB LYS A 25 13.076 3.782 -9.780 1.00 0.00 C ATOM 339 CG LYS A 25 13.733 4.332 -11.047 1.00 0.00 C ATOM 340 CD LYS A 25 14.817 3.381 -11.560 1.00 0.00 C ATOM 341 CE LYS A 25 16.170 4.090 -11.651 1.00 0.00 C ATOM 342 NZ LYS A 25 17.271 3.103 -11.696 1.00 0.00 N ATOM 0 H LYS A 25 12.072 6.053 -9.778 1.00 0.00 H new ATOM 0 HA LYS A 25 11.221 3.658 -10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.513 4.260 -8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.279 2.714 -9.695 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.977 4.478 -11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.170 5.309 -10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.897 2.522 -10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.536 2.999 -12.541 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.199 4.717 -12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.300 4.749 -10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.182 3.601 -11.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.252 2.522 -10.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.154 2.491 -12.528 1.00 0.00 H new ATOM 356 N LYS A 26 11.071 3.583 -7.479 1.00 0.00 N ATOM 357 CA LYS A 26 10.422 2.920 -6.361 1.00 0.00 C ATOM 358 C LYS A 26 8.907 2.933 -6.575 1.00 0.00 C ATOM 359 O LYS A 26 8.266 1.883 -6.562 1.00 0.00 O ATOM 360 CB LYS A 26 10.862 3.548 -5.037 1.00 0.00 C ATOM 361 CG LYS A 26 12.369 3.390 -4.828 1.00 0.00 C ATOM 362 CD LYS A 26 12.827 4.117 -3.562 1.00 0.00 C ATOM 363 CE LYS A 26 14.340 3.994 -3.376 1.00 0.00 C ATOM 364 NZ LYS A 26 14.736 4.461 -2.029 1.00 0.00 N ATOM 0 H LYS A 26 11.727 4.318 -7.216 1.00 0.00 H new ATOM 0 HA LYS A 26 10.727 1.875 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.599 4.606 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.326 3.079 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.621 2.332 -4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.903 3.786 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.549 5.169 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.315 3.701 -2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.646 2.957 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.855 4.581 -4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.766 4.371 -1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.461 5.457 -1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.259 3.884 -1.307 1.00 0.00 H new ATOM 378 N GLN A 27 8.379 4.132 -6.767 1.00 0.00 N ATOM 379 CA GLN A 27 6.952 4.295 -6.983 1.00 0.00 C ATOM 380 C GLN A 27 6.456 3.295 -8.029 1.00 0.00 C ATOM 381 O GLN A 27 5.346 2.776 -7.920 1.00 0.00 O ATOM 382 CB GLN A 27 6.620 5.731 -7.397 1.00 0.00 C ATOM 383 CG GLN A 27 6.861 6.704 -6.241 1.00 0.00 C ATOM 384 CD GLN A 27 6.297 8.089 -6.564 1.00 0.00 C ATOM 385 OE1 GLN A 27 5.694 8.751 -5.735 1.00 0.00 O ATOM 386 NE2 GLN A 27 6.526 8.489 -7.812 1.00 0.00 N ATOM 0 H GLN A 27 8.914 5.000 -6.778 1.00 0.00 H new ATOM 0 HA GLN A 27 6.437 4.094 -6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.232 6.018 -8.252 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.579 5.790 -7.716 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.394 6.320 -5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.930 6.780 -6.042 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.038 7.885 -8.455 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.190 9.400 -8.126 1.00 0.00 H new ATOM 395 N GLN A 28 7.302 3.054 -9.020 1.00 0.00 N ATOM 396 CA GLN A 28 6.964 2.125 -10.084 1.00 0.00 C ATOM 397 C GLN A 28 7.027 0.685 -9.572 1.00 0.00 C ATOM 398 O GLN A 28 6.006 0.002 -9.499 1.00 0.00 O ATOM 399 CB GLN A 28 7.882 2.318 -11.293 1.00 0.00 C ATOM 400 CG GLN A 28 7.700 3.709 -11.903 1.00 0.00 C ATOM 401 CD GLN A 28 9.053 4.374 -12.165 1.00 0.00 C ATOM 402 OE1 GLN A 28 9.271 5.536 -11.864 1.00 0.00 O ATOM 403 NE2 GLN A 28 9.946 3.575 -12.741 1.00 0.00 N ATOM 0 H GLN A 28 8.221 3.487 -9.108 1.00 0.00 H new ATOM 0 HA GLN A 28 5.944 2.330 -10.408 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.920 2.183 -10.991 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.666 1.557 -12.043 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.142 3.631 -12.836 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.109 4.331 -11.230 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.698 2.612 -12.967 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.879 3.925 -12.957 1.00 0.00 H new ATOM 412 N ASP A 29 8.236 0.265 -9.230 1.00 0.00 N ATOM 413 CA ASP A 29 8.446 -1.082 -8.726 1.00 0.00 C ATOM 414 C ASP A 29 7.254 -1.489 -7.859 1.00 0.00 C ATOM 415 O ASP A 29 6.863 -2.655 -7.842 1.00 0.00 O ATOM 416 CB ASP A 29 9.707 -1.157 -7.863 1.00 0.00 C ATOM 417 CG ASP A 29 10.437 -2.501 -7.900 1.00 0.00 C ATOM 418 OD1 ASP A 29 9.882 -3.464 -7.329 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.534 -2.535 -8.499 1.00 0.00 O ATOM 0 H ASP A 29 9.081 0.834 -9.292 1.00 0.00 H new ATOM 0 HA ASP A 29 8.555 -1.749 -9.581 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.397 -0.377 -8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.436 -0.936 -6.831 1.00 0.00 H new ATOM 424 N VAL A 30 6.709 -0.505 -7.158 1.00 0.00 N ATOM 425 CA VAL A 30 5.569 -0.746 -6.290 1.00 0.00 C ATOM 426 C VAL A 30 4.380 -1.210 -7.134 1.00 0.00 C ATOM 427 O VAL A 30 4.189 -2.408 -7.337 1.00 0.00 O ATOM 428 CB VAL A 30 5.264 0.507 -5.467 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.972 0.336 -4.666 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.436 0.858 -4.548 1.00 0.00 C ATOM 0 H VAL A 30 7.036 0.461 -7.174 1.00 0.00 H new ATOM 0 HA VAL A 30 5.793 -1.540 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 30 5.121 1.336 -6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.779 1.241 -4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.142 0.156 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.074 -0.511 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.193 1.752 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.624 0.029 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.327 1.043 -5.149 1.00 0.00 H new ATOM 440 N VAL A 31 3.612 -0.238 -7.602 1.00 0.00 N ATOM 441 CA VAL A 31 2.447 -0.532 -8.419 1.00 0.00 C ATOM 442 C VAL A 31 2.780 -1.673 -9.383 1.00 0.00 C ATOM 443 O VAL A 31 2.042 -2.653 -9.469 1.00 0.00 O ATOM 444 CB VAL A 31 1.976 0.736 -9.135 1.00 0.00 C ATOM 445 CG1 VAL A 31 3.134 1.714 -9.336 1.00 0.00 C ATOM 446 CG2 VAL A 31 1.306 0.396 -10.468 1.00 0.00 C ATOM 0 H VAL A 31 3.774 0.755 -7.431 1.00 0.00 H new ATOM 0 HA VAL A 31 1.618 -0.865 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 31 1.234 1.222 -8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.772 2.606 -9.847 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.547 1.993 -8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.910 1.241 -9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.981 1.315 -10.956 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.017 -0.124 -11.110 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.443 -0.245 -10.288 1.00 0.00 H new ATOM 456 N ARG A 32 3.893 -1.508 -10.083 1.00 0.00 N ATOM 457 CA ARG A 32 4.333 -2.512 -11.037 1.00 0.00 C ATOM 458 C ARG A 32 4.039 -3.916 -10.503 1.00 0.00 C ATOM 459 O ARG A 32 3.352 -4.700 -11.155 1.00 0.00 O ATOM 460 CB ARG A 32 5.831 -2.384 -11.320 1.00 0.00 C ATOM 461 CG ARG A 32 6.134 -1.103 -12.099 1.00 0.00 C ATOM 462 CD ARG A 32 6.388 -1.407 -13.577 1.00 0.00 C ATOM 463 NE ARG A 32 6.574 -0.146 -14.329 1.00 0.00 N ATOM 464 CZ ARG A 32 7.040 -0.081 -15.583 1.00 0.00 C ATOM 465 NH1 ARG A 32 7.371 -1.205 -16.234 1.00 0.00 N ATOM 466 NH2 ARG A 32 7.176 1.107 -16.187 1.00 0.00 N ATOM 0 H ARG A 32 4.503 -0.694 -10.009 1.00 0.00 H new ATOM 0 HA ARG A 32 3.785 -2.351 -11.965 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.383 -2.382 -10.380 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.173 -3.249 -11.888 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.298 -0.410 -12.005 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.007 -0.610 -11.670 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.272 -2.036 -13.681 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.549 -1.966 -13.991 1.00 0.00 H new ATOM 0 HE ARG A 32 6.332 0.729 -13.863 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.268 -2.110 -15.774 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.726 -1.156 -17.189 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.925 1.963 -15.692 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.531 1.156 -17.142 1.00 0.00 H new ATOM 480 N PHE A 33 4.575 -4.189 -9.323 1.00 0.00 N ATOM 481 CA PHE A 33 4.380 -5.485 -8.694 1.00 0.00 C ATOM 482 C PHE A 33 2.891 -5.806 -8.553 1.00 0.00 C ATOM 483 O PHE A 33 2.459 -6.915 -8.866 1.00 0.00 O ATOM 484 CB PHE A 33 5.007 -5.405 -7.301 1.00 0.00 C ATOM 485 CG PHE A 33 5.103 -6.753 -6.584 1.00 0.00 C ATOM 486 CD1 PHE A 33 6.192 -7.546 -6.771 1.00 0.00 C ATOM 487 CD2 PHE A 33 4.101 -7.158 -5.759 1.00 0.00 C ATOM 488 CE1 PHE A 33 6.282 -8.797 -6.106 1.00 0.00 C ATOM 489 CE2 PHE A 33 4.191 -8.409 -5.093 1.00 0.00 C ATOM 490 CZ PHE A 33 5.279 -9.202 -5.281 1.00 0.00 C ATOM 0 H PHE A 33 5.144 -3.535 -8.785 1.00 0.00 H new ATOM 0 HA PHE A 33 4.837 -6.266 -9.301 1.00 0.00 H new ATOM 0 HB2 PHE A 33 6.007 -4.979 -7.388 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.421 -4.720 -6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.988 -7.224 -7.426 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.236 -6.528 -5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.146 -9.427 -6.255 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.395 -8.730 -4.437 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.347 -10.154 -4.775 1.00 0.00 H new ATOM 500 N LEU A 34 2.146 -4.817 -8.081 1.00 0.00 N ATOM 501 CA LEU A 34 0.715 -4.981 -7.894 1.00 0.00 C ATOM 502 C LEU A 34 0.067 -5.330 -9.235 1.00 0.00 C ATOM 503 O LEU A 34 -0.636 -6.334 -9.346 1.00 0.00 O ATOM 504 CB LEU A 34 0.116 -3.741 -7.226 1.00 0.00 C ATOM 505 CG LEU A 34 0.816 -3.261 -5.953 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.476 -1.799 -5.659 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.488 -4.175 -4.770 1.00 0.00 C ATOM 0 H LEU A 34 2.507 -3.899 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 34 0.512 -5.810 -7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.120 -2.925 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.927 -3.949 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 34 1.893 -3.315 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.986 -1.483 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.800 -1.175 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.601 -1.696 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.998 -3.812 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.588 -4.176 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.821 -5.189 -4.991 1.00 0.00 H new ATOM 519 N GLU A 35 0.326 -4.483 -10.220 1.00 0.00 N ATOM 520 CA GLU A 35 -0.223 -4.690 -11.549 1.00 0.00 C ATOM 521 C GLU A 35 0.184 -6.065 -12.084 1.00 0.00 C ATOM 522 O GLU A 35 -0.665 -6.841 -12.519 1.00 0.00 O ATOM 523 CB GLU A 35 0.218 -3.579 -12.504 1.00 0.00 C ATOM 524 CG GLU A 35 -0.527 -2.275 -12.209 1.00 0.00 C ATOM 525 CD GLU A 35 -2.014 -2.405 -12.547 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.742 -2.964 -11.699 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.388 -1.941 -13.646 1.00 0.00 O ATOM 0 H GLU A 35 0.909 -3.652 -10.124 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.310 -4.655 -11.480 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.292 -3.418 -12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.031 -3.884 -13.534 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.411 -2.016 -11.157 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.088 -1.462 -12.788 1.00 0.00 H new ATOM 534 N ALA A 36 1.482 -6.324 -12.033 1.00 0.00 N ATOM 535 CA ALA A 36 2.012 -7.591 -12.506 1.00 0.00 C ATOM 536 C ALA A 36 1.376 -8.734 -11.711 1.00 0.00 C ATOM 537 O ALA A 36 1.307 -9.864 -12.190 1.00 0.00 O ATOM 538 CB ALA A 36 3.538 -7.582 -12.393 1.00 0.00 C ATOM 0 H ALA A 36 2.183 -5.677 -11.671 1.00 0.00 H new ATOM 0 HA ALA A 36 1.764 -7.741 -13.557 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.935 -8.533 -12.748 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.943 -6.771 -12.999 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.825 -7.435 -11.352 1.00 0.00 H new ATOM 544 N ASN A 37 0.927 -8.398 -10.511 1.00 0.00 N ATOM 545 CA ASN A 37 0.299 -9.382 -9.645 1.00 0.00 C ATOM 546 C ASN A 37 -1.219 -9.192 -9.681 1.00 0.00 C ATOM 547 O ASN A 37 -1.942 -9.788 -8.885 1.00 0.00 O ATOM 548 CB ASN A 37 0.762 -9.216 -8.196 1.00 0.00 C ATOM 549 CG ASN A 37 2.083 -9.949 -7.955 1.00 0.00 C ATOM 550 OD1 ASN A 37 2.120 -11.114 -7.595 1.00 0.00 O ATOM 551 ND2 ASN A 37 3.163 -9.203 -8.173 1.00 0.00 N ATOM 0 H ASN A 37 0.985 -7.459 -10.118 1.00 0.00 H new ATOM 0 HA ASN A 37 0.579 -10.373 -10.002 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.883 -8.157 -7.968 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.001 -9.602 -7.520 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.093 -9.601 -8.040 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.061 -8.234 -8.473 1.00 0.00 H new ATOM 558 N LYS A 38 -1.656 -8.358 -10.614 1.00 0.00 N ATOM 559 CA LYS A 38 -3.075 -8.082 -10.764 1.00 0.00 C ATOM 560 C LYS A 38 -3.678 -7.771 -9.393 1.00 0.00 C ATOM 561 O LYS A 38 -4.706 -8.334 -9.021 1.00 0.00 O ATOM 562 CB LYS A 38 -3.770 -9.233 -11.494 1.00 0.00 C ATOM 563 CG LYS A 38 -3.108 -9.504 -12.847 1.00 0.00 C ATOM 564 CD LYS A 38 -2.180 -10.718 -12.769 1.00 0.00 C ATOM 565 CE LYS A 38 -2.727 -11.881 -13.600 1.00 0.00 C ATOM 566 NZ LYS A 38 -2.631 -11.576 -15.045 1.00 0.00 N ATOM 0 H LYS A 38 -1.053 -7.865 -11.273 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.228 -7.201 -11.387 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.733 -10.133 -10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.823 -8.992 -11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.874 -9.675 -13.603 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.541 -8.628 -13.161 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.188 -10.445 -13.128 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.069 -11.029 -11.730 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.168 -12.790 -13.376 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.766 -12.071 -13.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.728 -12.455 -15.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.390 -10.917 -15.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.708 -11.142 -15.248 1.00 0.00 H new ATOM 580 N ILE A 39 -3.012 -6.874 -8.679 1.00 0.00 N ATOM 581 CA ILE A 39 -3.469 -6.481 -7.358 1.00 0.00 C ATOM 582 C ILE A 39 -4.195 -5.137 -7.452 1.00 0.00 C ATOM 583 O ILE A 39 -3.862 -4.306 -8.296 1.00 0.00 O ATOM 584 CB ILE A 39 -2.305 -6.483 -6.365 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.731 -7.891 -6.195 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.723 -5.868 -5.028 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.512 -7.878 -5.270 1.00 0.00 C ATOM 0 H ILE A 39 -2.160 -6.409 -8.991 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.187 -7.205 -6.973 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.509 -5.859 -6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.495 -8.552 -5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.449 -8.293 -7.168 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.877 -5.882 -4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.045 -4.839 -5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.545 -6.444 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.123 -8.891 -5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.259 -7.235 -5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.803 -7.499 -4.290 1.00 0.00 H new ATOM 599 N GLU A 40 -5.172 -4.965 -6.575 1.00 0.00 N ATOM 600 CA GLU A 40 -5.947 -3.737 -6.549 1.00 0.00 C ATOM 601 C GLU A 40 -5.224 -2.670 -5.724 1.00 0.00 C ATOM 602 O GLU A 40 -4.706 -2.959 -4.647 1.00 0.00 O ATOM 603 CB GLU A 40 -7.356 -3.988 -6.007 1.00 0.00 C ATOM 604 CG GLU A 40 -7.362 -3.990 -4.477 1.00 0.00 C ATOM 605 CD GLU A 40 -8.393 -4.982 -3.934 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.584 -4.802 -4.269 1.00 0.00 O ATOM 607 OE2 GLU A 40 -7.967 -5.897 -3.197 1.00 0.00 O ATOM 0 H GLU A 40 -5.445 -5.656 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.047 -3.372 -7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.034 -3.218 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.727 -4.944 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.371 -4.251 -4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.587 -2.989 -4.109 1.00 0.00 H new ATOM 614 N PHE A 41 -5.212 -1.459 -6.262 1.00 0.00 N ATOM 615 CA PHE A 41 -4.561 -0.348 -5.589 1.00 0.00 C ATOM 616 C PHE A 41 -4.878 0.977 -6.285 1.00 0.00 C ATOM 617 O PHE A 41 -5.687 1.018 -7.211 1.00 0.00 O ATOM 618 CB PHE A 41 -3.054 -0.601 -5.662 1.00 0.00 C ATOM 619 CG PHE A 41 -2.473 -0.490 -7.073 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.032 0.711 -7.534 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.396 -1.592 -7.866 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.492 0.815 -8.843 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.857 -1.488 -9.175 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.416 -0.287 -9.636 1.00 0.00 C ATOM 0 H PHE A 41 -5.643 -1.223 -7.156 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.913 -0.280 -4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.544 0.111 -5.013 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.843 -1.596 -5.271 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.093 1.586 -6.904 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.745 -2.546 -7.500 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.142 1.769 -9.209 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.797 -2.363 -9.805 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.005 -0.208 -10.632 1.00 0.00 H new ATOM 634 N GLU A 42 -4.224 2.028 -5.813 1.00 0.00 N ATOM 635 CA GLU A 42 -4.426 3.351 -6.379 1.00 0.00 C ATOM 636 C GLU A 42 -3.204 4.233 -6.116 1.00 0.00 C ATOM 637 O GLU A 42 -2.581 4.137 -5.060 1.00 0.00 O ATOM 638 CB GLU A 42 -5.698 3.996 -5.825 1.00 0.00 C ATOM 639 CG GLU A 42 -5.547 4.313 -4.335 1.00 0.00 C ATOM 640 CD GLU A 42 -6.592 5.335 -3.883 1.00 0.00 C ATOM 641 OE1 GLU A 42 -6.379 6.531 -4.175 1.00 0.00 O ATOM 642 OE2 GLU A 42 -7.581 4.896 -3.256 1.00 0.00 O ATOM 0 H GLU A 42 -3.554 1.990 -5.045 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.550 3.249 -7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.915 4.912 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.545 3.326 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.652 3.398 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.547 4.701 -4.142 1.00 0.00 H new ATOM 649 N GLU A 43 -2.898 5.072 -7.095 1.00 0.00 N ATOM 650 CA GLU A 43 -1.761 5.970 -6.983 1.00 0.00 C ATOM 651 C GLU A 43 -2.210 7.328 -6.438 1.00 0.00 C ATOM 652 O GLU A 43 -2.475 8.252 -7.206 1.00 0.00 O ATOM 653 CB GLU A 43 -1.051 6.127 -8.329 1.00 0.00 C ATOM 654 CG GLU A 43 -0.246 4.873 -8.674 1.00 0.00 C ATOM 655 CD GLU A 43 -0.901 4.098 -9.819 1.00 0.00 C ATOM 656 OE1 GLU A 43 -2.120 3.845 -9.710 1.00 0.00 O ATOM 657 OE2 GLU A 43 -0.167 3.776 -10.779 1.00 0.00 O ATOM 0 H GLU A 43 -3.418 5.149 -7.969 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.048 5.536 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.785 6.319 -9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.388 6.991 -8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.769 5.154 -8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.168 4.233 -7.795 1.00 0.00 H new ATOM 664 N VAL A 44 -2.281 7.405 -5.117 1.00 0.00 N ATOM 665 CA VAL A 44 -2.692 8.634 -4.461 1.00 0.00 C ATOM 666 C VAL A 44 -1.622 9.707 -4.678 1.00 0.00 C ATOM 667 O VAL A 44 -0.660 9.791 -3.917 1.00 0.00 O ATOM 668 CB VAL A 44 -2.979 8.367 -2.982 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.043 9.675 -2.191 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.266 7.559 -2.810 1.00 0.00 C ATOM 0 H VAL A 44 -2.061 6.636 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.619 9.007 -4.897 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.156 7.774 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.248 9.457 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.090 10.197 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.837 10.305 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.446 7.383 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.103 8.114 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.167 6.603 -3.324 1.00 0.00 H new ATOM 680 N ASP A 45 -1.827 10.498 -5.721 1.00 0.00 N ATOM 681 CA ASP A 45 -0.892 11.562 -6.048 1.00 0.00 C ATOM 682 C ASP A 45 -0.904 12.607 -4.931 1.00 0.00 C ATOM 683 O ASP A 45 -1.767 13.484 -4.906 1.00 0.00 O ATOM 684 CB ASP A 45 -1.285 12.258 -7.352 1.00 0.00 C ATOM 685 CG ASP A 45 -0.226 13.203 -7.924 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.610 13.671 -7.122 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.277 13.436 -9.152 1.00 0.00 O ATOM 0 H ASP A 45 -2.626 10.424 -6.350 1.00 0.00 H new ATOM 0 HA ASP A 45 0.098 11.119 -6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.513 11.497 -8.098 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.202 12.823 -7.183 1.00 0.00 H new ATOM 692 N ILE A 46 0.062 12.480 -4.034 1.00 0.00 N ATOM 693 CA ILE A 46 0.174 13.403 -2.917 1.00 0.00 C ATOM 694 C ILE A 46 0.561 14.787 -3.442 1.00 0.00 C ATOM 695 O ILE A 46 0.084 15.802 -2.936 1.00 0.00 O ATOM 696 CB ILE A 46 1.136 12.854 -1.862 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.590 12.997 -2.318 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.788 11.408 -1.502 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.509 12.073 -1.518 1.00 0.00 C ATOM 0 H ILE A 46 0.775 11.751 -4.058 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.787 13.510 -2.413 1.00 0.00 H new ATOM 0 HB ILE A 46 1.023 13.448 -0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.667 12.762 -3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.913 14.031 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.487 11.042 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.226 11.366 -1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.855 10.785 -2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.536 12.194 -1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.448 12.327 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.198 11.038 -1.661 1.00 0.00 H new ATOM 711 N THR A 47 1.421 14.783 -4.449 1.00 0.00 N ATOM 712 CA THR A 47 1.877 16.026 -5.048 1.00 0.00 C ATOM 713 C THR A 47 0.688 16.838 -5.563 1.00 0.00 C ATOM 714 O THR A 47 0.575 18.030 -5.278 1.00 0.00 O ATOM 715 CB THR A 47 2.895 15.681 -6.137 1.00 0.00 C ATOM 716 OG1 THR A 47 4.155 15.774 -5.478 1.00 0.00 O ATOM 717 CG2 THR A 47 2.967 16.748 -7.231 1.00 0.00 C ATOM 0 H THR A 47 1.814 13.939 -4.866 1.00 0.00 H new ATOM 0 HA THR A 47 2.370 16.662 -4.312 1.00 0.00 H new ATOM 0 HB THR A 47 2.637 14.721 -6.583 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.876 15.658 -6.132 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.704 16.454 -7.978 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.991 16.850 -7.705 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.258 17.702 -6.790 1.00 0.00 H new ATOM 725 N MET A 48 -0.170 16.162 -6.313 1.00 0.00 N ATOM 726 CA MET A 48 -1.347 16.805 -6.871 1.00 0.00 C ATOM 727 C MET A 48 -2.473 16.879 -5.838 1.00 0.00 C ATOM 728 O MET A 48 -3.029 17.949 -5.596 1.00 0.00 O ATOM 729 CB MET A 48 -1.826 16.021 -8.094 1.00 0.00 C ATOM 730 CG MET A 48 -0.870 16.206 -9.274 1.00 0.00 C ATOM 731 SD MET A 48 -1.133 17.801 -10.030 1.00 0.00 S ATOM 732 CE MET A 48 0.502 18.497 -9.863 1.00 0.00 C ATOM 0 H MET A 48 -0.073 15.174 -6.547 1.00 0.00 H new ATOM 0 HA MET A 48 -1.079 17.821 -7.162 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.901 14.962 -7.845 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.825 16.354 -8.375 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.162 16.122 -8.933 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.028 15.416 -10.008 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.515 19.501 -10.288 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.770 18.546 -8.808 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.220 17.870 -10.391 1.00 0.00 H new ATOM 742 N SER A 49 -2.775 15.728 -5.255 1.00 0.00 N ATOM 743 CA SER A 49 -3.824 15.649 -4.254 1.00 0.00 C ATOM 744 C SER A 49 -3.561 16.663 -3.139 1.00 0.00 C ATOM 745 O SER A 49 -4.490 17.298 -2.641 1.00 0.00 O ATOM 746 CB SER A 49 -3.926 14.237 -3.674 1.00 0.00 C ATOM 747 OG SER A 49 -4.186 13.263 -4.681 1.00 0.00 O ATOM 0 H SER A 49 -2.311 14.842 -5.457 1.00 0.00 H new ATOM 0 HA SER A 49 -4.774 15.885 -4.734 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.997 13.988 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.720 14.208 -2.928 1.00 0.00 H new ATOM 0 HG SER A 49 -3.340 12.976 -5.085 1.00 0.00 H new ATOM 753 N GLU A 50 -2.291 16.784 -2.780 1.00 0.00 N ATOM 754 CA GLU A 50 -1.895 17.711 -1.733 1.00 0.00 C ATOM 755 C GLU A 50 -2.449 17.254 -0.382 1.00 0.00 C ATOM 756 O GLU A 50 -1.692 16.840 0.495 1.00 0.00 O ATOM 757 CB GLU A 50 -2.350 19.134 -2.060 1.00 0.00 C ATOM 758 CG GLU A 50 -1.873 20.121 -0.992 1.00 0.00 C ATOM 759 CD GLU A 50 -2.874 21.265 -0.817 1.00 0.00 C ATOM 760 OE1 GLU A 50 -3.870 21.043 -0.096 1.00 0.00 O ATOM 761 OE2 GLU A 50 -2.619 22.337 -1.409 1.00 0.00 O ATOM 0 H GLU A 50 -1.523 16.256 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.807 17.718 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.960 19.430 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.437 19.165 -2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.741 19.600 -0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.900 20.524 -1.273 1.00 0.00 H new ATOM 768 N GLU A 51 -3.765 17.344 -0.257 1.00 0.00 N ATOM 769 CA GLU A 51 -4.428 16.945 0.972 1.00 0.00 C ATOM 770 C GLU A 51 -3.894 15.593 1.449 1.00 0.00 C ATOM 771 O GLU A 51 -3.449 15.464 2.589 1.00 0.00 O ATOM 772 CB GLU A 51 -5.946 16.900 0.786 1.00 0.00 C ATOM 773 CG GLU A 51 -6.662 17.589 1.949 1.00 0.00 C ATOM 774 CD GLU A 51 -6.865 19.078 1.664 1.00 0.00 C ATOM 775 OE1 GLU A 51 -5.841 19.754 1.424 1.00 0.00 O ATOM 776 OE2 GLU A 51 -8.038 19.507 1.692 1.00 0.00 O ATOM 0 H GLU A 51 -4.390 17.687 -0.987 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.210 17.690 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.216 17.387 -0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.276 15.864 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.628 17.113 2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.080 17.466 2.863 1.00 0.00 H new ATOM 783 N GLN A 52 -3.956 14.619 0.553 1.00 0.00 N ATOM 784 CA GLN A 52 -3.484 13.281 0.868 1.00 0.00 C ATOM 785 C GLN A 52 -2.072 13.341 1.455 1.00 0.00 C ATOM 786 O GLN A 52 -1.787 12.696 2.463 1.00 0.00 O ATOM 787 CB GLN A 52 -3.526 12.380 -0.367 1.00 0.00 C ATOM 788 CG GLN A 52 -4.960 12.212 -0.875 1.00 0.00 C ATOM 789 CD GLN A 52 -5.784 11.352 0.085 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.581 10.156 0.218 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.724 12.024 0.743 1.00 0.00 N ATOM 0 H GLN A 52 -4.326 14.730 -0.391 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.149 12.849 1.615 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.905 12.807 -1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.106 11.404 -0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.428 13.190 -0.985 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.948 11.751 -1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.841 13.025 0.585 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.328 11.539 1.406 1.00 0.00 H new ATOM 800 N ARG A 53 -1.226 14.122 0.800 1.00 0.00 N ATOM 801 CA ARG A 53 0.149 14.274 1.244 1.00 0.00 C ATOM 802 C ARG A 53 0.190 14.618 2.734 1.00 0.00 C ATOM 803 O ARG A 53 0.707 13.845 3.540 1.00 0.00 O ATOM 804 CB ARG A 53 0.865 15.372 0.454 1.00 0.00 C ATOM 805 CG ARG A 53 2.383 15.195 0.522 1.00 0.00 C ATOM 806 CD ARG A 53 3.087 16.105 -0.487 1.00 0.00 C ATOM 807 NE ARG A 53 4.515 15.733 -0.594 1.00 0.00 N ATOM 808 CZ ARG A 53 5.364 16.260 -1.487 1.00 0.00 C ATOM 809 NH1 ARG A 53 4.933 17.184 -2.357 1.00 0.00 N ATOM 810 NH2 ARG A 53 6.643 15.862 -1.512 1.00 0.00 N ATOM 0 H ARG A 53 -1.466 14.656 -0.035 1.00 0.00 H new ATOM 0 HA ARG A 53 0.660 13.327 1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.539 15.349 -0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.591 16.349 0.852 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.734 15.422 1.529 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.641 14.155 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.607 16.021 -1.462 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.996 17.146 -0.176 1.00 0.00 H new ATOM 0 HE ARG A 53 4.876 15.031 0.052 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.959 17.486 -2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.579 17.585 -3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.971 15.158 -0.851 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.289 16.263 -2.192 1.00 0.00 H new ATOM 824 N GLN A 54 -0.360 15.779 3.056 1.00 0.00 N ATOM 825 CA GLN A 54 -0.393 16.235 4.435 1.00 0.00 C ATOM 826 C GLN A 54 -0.767 15.081 5.367 1.00 0.00 C ATOM 827 O GLN A 54 -0.044 14.787 6.318 1.00 0.00 O ATOM 828 CB GLN A 54 -1.360 17.410 4.602 1.00 0.00 C ATOM 829 CG GLN A 54 -1.006 18.551 3.646 1.00 0.00 C ATOM 830 CD GLN A 54 0.484 18.889 3.724 1.00 0.00 C ATOM 831 OE1 GLN A 54 1.125 18.754 4.754 1.00 0.00 O ATOM 832 NE2 GLN A 54 0.998 19.335 2.581 1.00 0.00 N ATOM 0 H GLN A 54 -0.787 16.418 2.385 1.00 0.00 H new ATOM 0 HA GLN A 54 0.603 16.586 4.704 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.380 17.076 4.413 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.327 17.769 5.631 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.266 18.269 2.626 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.596 19.433 3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.405 19.424 1.756 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.985 19.588 2.530 1.00 0.00 H new ATOM 841 N TRP A 55 -1.896 14.458 5.062 1.00 0.00 N ATOM 842 CA TRP A 55 -2.374 13.343 5.861 1.00 0.00 C ATOM 843 C TRP A 55 -1.234 12.330 5.990 1.00 0.00 C ATOM 844 O TRP A 55 -0.891 11.914 7.095 1.00 0.00 O ATOM 845 CB TRP A 55 -3.644 12.740 5.256 1.00 0.00 C ATOM 846 CG TRP A 55 -4.284 11.647 6.115 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.317 11.762 6.960 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.889 10.261 6.177 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.616 10.555 7.560 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.719 9.614 7.069 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.863 9.576 5.501 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.610 8.250 7.368 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.767 8.214 5.811 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.595 7.548 6.707 1.00 0.00 C ATOM 0 H TRP A 55 -2.493 14.704 4.273 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.657 13.677 6.859 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.372 13.536 5.097 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.406 12.325 4.276 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.849 12.683 7.148 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.358 10.385 8.239 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.202 10.062 4.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.273 7.766 8.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -1.995 7.640 5.319 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.456 6.493 6.893 1.00 0.00 H new ATOM 865 N MET A 56 -0.679 11.963 4.844 1.00 0.00 N ATOM 866 CA MET A 56 0.414 11.007 4.815 1.00 0.00 C ATOM 867 C MET A 56 1.509 11.396 5.810 1.00 0.00 C ATOM 868 O MET A 56 1.971 10.563 6.587 1.00 0.00 O ATOM 869 CB MET A 56 1.004 10.949 3.404 1.00 0.00 C ATOM 870 CG MET A 56 1.894 9.716 3.232 1.00 0.00 C ATOM 871 SD MET A 56 2.648 9.728 1.614 1.00 0.00 S ATOM 872 CE MET A 56 3.728 11.139 1.786 1.00 0.00 C ATOM 0 H MET A 56 -0.966 12.311 3.929 1.00 0.00 H new ATOM 0 HA MET A 56 0.024 10.029 5.096 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.199 10.926 2.670 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.585 11.851 3.212 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.666 9.704 4.002 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.302 8.810 3.360 1.00 0.00 H new ATOM 0 HE1 MET A 56 4.494 11.107 1.011 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.147 12.056 1.685 1.00 0.00 H new ATOM 0 HE3 MET A 56 4.203 11.116 2.767 1.00 0.00 H new ATOM 882 N TYR A 57 1.893 12.663 5.753 1.00 0.00 N ATOM 883 CA TYR A 57 2.925 13.173 6.639 1.00 0.00 C ATOM 884 C TYR A 57 2.491 13.071 8.103 1.00 0.00 C ATOM 885 O TYR A 57 3.304 13.246 9.009 1.00 0.00 O ATOM 886 CB TYR A 57 3.103 14.648 6.275 1.00 0.00 C ATOM 887 CG TYR A 57 3.922 14.881 5.003 1.00 0.00 C ATOM 888 CD1 TYR A 57 4.064 13.865 4.079 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.518 16.105 4.780 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.834 14.084 2.882 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.288 16.324 3.583 1.00 0.00 C ATOM 892 CZ TYR A 57 5.408 15.302 2.693 1.00 0.00 C ATOM 893 OH TYR A 57 6.136 15.509 1.563 1.00 0.00 O ATOM 0 H TYR A 57 1.508 13.351 5.107 1.00 0.00 H new ATOM 0 HA TYR A 57 3.845 12.600 6.525 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.120 15.102 6.150 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.588 15.161 7.106 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.598 12.907 4.254 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.407 16.899 5.503 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.953 13.298 2.151 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.759 17.278 3.396 1.00 0.00 H new ATOM 0 HH TYR A 57 6.732 14.746 1.413 1.00 0.00 H new ATOM 903 N LYS A 58 1.210 12.787 8.288 1.00 0.00 N ATOM 904 CA LYS A 58 0.658 12.659 9.626 1.00 0.00 C ATOM 905 C LYS A 58 0.548 11.177 9.988 1.00 0.00 C ATOM 906 O LYS A 58 0.232 10.834 11.126 1.00 0.00 O ATOM 907 CB LYS A 58 -0.667 13.418 9.733 1.00 0.00 C ATOM 908 CG LYS A 58 -0.472 14.905 9.433 1.00 0.00 C ATOM 909 CD LYS A 58 -1.270 15.771 10.410 1.00 0.00 C ATOM 910 CE LYS A 58 -1.660 17.104 9.769 1.00 0.00 C ATOM 911 NZ LYS A 58 -3.034 17.487 10.164 1.00 0.00 N ATOM 0 H LYS A 58 0.539 12.642 7.534 1.00 0.00 H new ATOM 0 HA LYS A 58 1.323 13.118 10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.390 12.994 9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.080 13.296 10.734 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.586 15.157 9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.787 15.118 8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.168 15.238 10.724 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.678 15.954 11.307 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.958 17.880 10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.596 17.025 8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.283 18.394 9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.702 16.754 9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.084 17.583 11.198 1.00 0.00 H new ATOM 925 N ASN A 59 0.816 10.337 8.998 1.00 0.00 N ATOM 926 CA ASN A 59 0.751 8.900 9.199 1.00 0.00 C ATOM 927 C ASN A 59 2.095 8.275 8.818 1.00 0.00 C ATOM 928 O ASN A 59 2.137 7.196 8.229 1.00 0.00 O ATOM 929 CB ASN A 59 -0.330 8.269 8.319 1.00 0.00 C ATOM 930 CG ASN A 59 -1.721 8.767 8.717 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.602 8.004 9.076 1.00 0.00 O ATOM 932 ND2 ASN A 59 -1.867 10.086 8.633 1.00 0.00 N ATOM 0 H ASN A 59 1.078 10.625 8.055 1.00 0.00 H new ATOM 0 HA ASN A 59 0.515 8.716 10.247 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.139 8.510 7.273 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.289 7.183 8.409 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.759 10.517 8.877 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.087 10.667 8.325 1.00 0.00 H new ATOM 939 N VAL A 60 3.160 8.981 9.169 1.00 0.00 N ATOM 940 CA VAL A 60 4.502 8.509 8.871 1.00 0.00 C ATOM 941 C VAL A 60 5.469 9.028 9.937 1.00 0.00 C ATOM 942 O VAL A 60 5.665 10.235 10.067 1.00 0.00 O ATOM 943 CB VAL A 60 4.898 8.922 7.452 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.381 8.645 7.194 1.00 0.00 C ATOM 945 CG2 VAL A 60 4.021 8.223 6.412 1.00 0.00 C ATOM 0 H VAL A 60 3.121 9.876 9.657 1.00 0.00 H new ATOM 0 HA VAL A 60 4.540 7.420 8.901 1.00 0.00 H new ATOM 0 HB VAL A 60 4.736 9.996 7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.636 8.948 6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.985 9.210 7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.579 7.580 7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.324 8.534 5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.136 7.143 6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.978 8.493 6.576 1.00 0.00 H new ATOM 955 N PRO A 61 6.062 8.065 10.692 1.00 0.00 N ATOM 956 CA PRO A 61 7.004 8.413 11.743 1.00 0.00 C ATOM 957 C PRO A 61 8.352 8.831 11.154 1.00 0.00 C ATOM 958 O PRO A 61 8.591 8.664 9.959 1.00 0.00 O ATOM 959 CB PRO A 61 7.095 7.171 12.615 1.00 0.00 C ATOM 960 CG PRO A 61 6.567 6.026 11.767 1.00 0.00 C ATOM 961 CD PRO A 61 5.853 6.626 10.566 1.00 0.00 C ATOM 0 HA PRO A 61 6.682 9.273 12.330 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.124 6.986 12.924 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.505 7.288 13.524 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.385 5.383 11.443 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.884 5.405 12.347 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.264 6.246 9.631 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.792 6.378 10.572 1.00 0.00 H new ATOM 969 N PRO A 62 9.222 9.381 12.043 1.00 0.00 N ATOM 970 CA PRO A 62 10.540 9.825 11.624 1.00 0.00 C ATOM 971 C PRO A 62 11.473 8.634 11.397 1.00 0.00 C ATOM 972 O PRO A 62 12.396 8.709 10.587 1.00 0.00 O ATOM 973 CB PRO A 62 11.016 10.748 12.734 1.00 0.00 C ATOM 974 CG PRO A 62 10.154 10.425 13.943 1.00 0.00 C ATOM 975 CD PRO A 62 8.974 9.595 13.466 1.00 0.00 C ATOM 0 HA PRO A 62 10.523 10.349 10.668 1.00 0.00 H new ATOM 0 HB2 PRO A 62 12.071 10.585 12.952 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.908 11.794 12.446 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.731 9.876 14.687 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.808 11.342 14.421 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.912 8.649 14.004 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.031 10.117 13.630 1.00 0.00 H new ATOM 983 N GLU A 63 11.200 7.561 12.126 1.00 0.00 N ATOM 984 CA GLU A 63 12.003 6.356 12.014 1.00 0.00 C ATOM 985 C GLU A 63 11.748 5.671 10.670 1.00 0.00 C ATOM 986 O GLU A 63 12.556 4.860 10.220 1.00 0.00 O ATOM 987 CB GLU A 63 11.724 5.401 13.177 1.00 0.00 C ATOM 988 CG GLU A 63 10.557 4.467 12.851 1.00 0.00 C ATOM 989 CD GLU A 63 10.002 3.819 14.122 1.00 0.00 C ATOM 990 OE1 GLU A 63 10.793 3.128 14.798 1.00 0.00 O ATOM 991 OE2 GLU A 63 8.799 4.030 14.387 1.00 0.00 O ATOM 0 H GLU A 63 10.434 7.502 12.796 1.00 0.00 H new ATOM 0 HA GLU A 63 13.055 6.638 12.062 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.616 4.813 13.391 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.496 5.974 14.076 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.768 5.027 12.349 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.888 3.693 12.159 1.00 0.00 H new ATOM 998 N LYS A 64 10.623 6.024 10.066 1.00 0.00 N ATOM 999 CA LYS A 64 10.252 5.454 8.782 1.00 0.00 C ATOM 1000 C LYS A 64 10.634 6.429 7.666 1.00 0.00 C ATOM 1001 O LYS A 64 10.972 6.010 6.560 1.00 0.00 O ATOM 1002 CB LYS A 64 8.773 5.062 8.777 1.00 0.00 C ATOM 1003 CG LYS A 64 8.503 3.926 9.766 1.00 0.00 C ATOM 1004 CD LYS A 64 9.153 2.623 9.295 1.00 0.00 C ATOM 1005 CE LYS A 64 8.387 1.408 9.821 1.00 0.00 C ATOM 1006 NZ LYS A 64 9.304 0.264 10.021 1.00 0.00 N ATOM 0 H LYS A 64 9.956 6.698 10.442 1.00 0.00 H new ATOM 0 HA LYS A 64 10.803 4.531 8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.163 5.927 9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.478 4.753 7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.890 4.195 10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.428 3.782 9.875 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.178 2.598 8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.187 2.583 9.639 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.898 1.659 10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.601 1.133 9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.768 -0.552 10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.751 0.015 9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.038 0.524 10.710 1.00 0.00 H new ATOM 1020 N LYS A 65 10.567 7.710 7.996 1.00 0.00 N ATOM 1021 CA LYS A 65 10.901 8.748 7.035 1.00 0.00 C ATOM 1022 C LYS A 65 12.119 8.309 6.219 1.00 0.00 C ATOM 1023 O LYS A 65 13.113 7.849 6.780 1.00 0.00 O ATOM 1024 CB LYS A 65 11.087 10.092 7.742 1.00 0.00 C ATOM 1025 CG LYS A 65 9.753 10.830 7.876 1.00 0.00 C ATOM 1026 CD LYS A 65 9.957 12.227 8.465 1.00 0.00 C ATOM 1027 CE LYS A 65 8.783 12.619 9.365 1.00 0.00 C ATOM 1028 NZ LYS A 65 9.067 13.893 10.063 1.00 0.00 N ATOM 0 H LYS A 65 10.287 8.053 8.915 1.00 0.00 H new ATOM 0 HA LYS A 65 10.081 8.894 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.518 9.931 8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.792 10.707 7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.277 10.909 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.079 10.258 8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.884 12.252 9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.061 12.954 7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.877 12.719 8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.598 11.831 10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.260 14.144 10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.920 13.785 10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.221 14.646 9.362 1.00 0.00 H new ATOM 1042 N PRO A 66 11.998 8.469 4.874 1.00 0.00 N ATOM 1043 CA PRO A 66 13.077 8.094 3.976 1.00 0.00 C ATOM 1044 C PRO A 66 14.215 9.115 4.030 1.00 0.00 C ATOM 1045 O PRO A 66 15.372 8.750 4.236 1.00 0.00 O ATOM 1046 CB PRO A 66 12.430 7.998 2.604 1.00 0.00 C ATOM 1047 CG PRO A 66 11.124 8.770 2.703 1.00 0.00 C ATOM 1048 CD PRO A 66 10.835 9.010 4.176 1.00 0.00 C ATOM 0 HA PRO A 66 13.543 7.147 4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.077 8.423 1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.249 6.959 2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.199 9.717 2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.312 8.208 2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.705 10.072 4.386 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.918 8.509 4.487 1.00 0.00 H new ATOM 1094 N ASN A 70 10.396 15.817 5.808 1.00 0.00 N ATOM 1095 CA ASN A 70 9.091 15.195 5.667 1.00 0.00 C ATOM 1096 C ASN A 70 9.242 13.867 4.923 1.00 0.00 C ATOM 1097 O ASN A 70 10.270 13.615 4.297 1.00 0.00 O ATOM 1098 CB ASN A 70 8.142 16.083 4.860 1.00 0.00 C ATOM 1099 CG ASN A 70 8.919 16.979 3.893 1.00 0.00 C ATOM 1100 OD1 ASN A 70 9.480 18.038 4.469 1.00 0.00 O flip ATOM 1101 ND2 ASN A 70 9.003 16.725 2.702 1.00 0.00 N flip ATOM 0 HA ASN A 70 8.681 15.042 6.665 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.442 15.461 4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.551 16.699 5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.547 15.894 2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.529 17.344 2.084 1.00 0.00 H new ATOM 1108 N PRO A 71 8.174 13.030 5.019 1.00 0.00 N ATOM 1109 CA PRO A 71 8.178 11.733 4.363 1.00 0.00 C ATOM 1110 C PRO A 71 7.971 11.882 2.854 1.00 0.00 C ATOM 1111 O PRO A 71 7.280 12.796 2.406 1.00 0.00 O ATOM 1112 CB PRO A 71 7.068 10.946 5.040 1.00 0.00 C ATOM 1113 CG PRO A 71 6.183 11.976 5.722 1.00 0.00 C ATOM 1114 CD PRO A 71 6.939 13.295 5.751 1.00 0.00 C ATOM 0 HA PRO A 71 9.132 11.215 4.461 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.501 10.365 4.312 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.475 10.240 5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.242 12.087 5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.935 11.656 6.734 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.363 14.092 5.281 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.145 13.611 6.774 1.00 0.00 H new ATOM 1122 N LEU A 72 8.581 10.969 2.113 1.00 0.00 N ATOM 1123 CA LEU A 72 8.472 10.987 0.664 1.00 0.00 C ATOM 1124 C LEU A 72 7.985 9.621 0.176 1.00 0.00 C ATOM 1125 O LEU A 72 8.121 8.622 0.881 1.00 0.00 O ATOM 1126 CB LEU A 72 9.793 11.430 0.032 1.00 0.00 C ATOM 1127 CG LEU A 72 10.261 12.845 0.378 1.00 0.00 C ATOM 1128 CD1 LEU A 72 11.707 13.070 -0.068 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.311 13.894 -0.205 1.00 0.00 C ATOM 0 H LEU A 72 9.152 10.212 2.489 1.00 0.00 H new ATOM 0 HA LEU A 72 7.732 11.722 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.570 10.728 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.698 11.355 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 72 10.239 12.956 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.014 14.084 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.358 12.355 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.781 12.932 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.666 14.891 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.278 13.792 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.311 13.747 0.204 1.00 0.00 H new ATOM 1141 N PRO A 73 7.414 9.621 -1.058 1.00 0.00 N ATOM 1142 CA PRO A 73 6.907 8.394 -1.648 1.00 0.00 C ATOM 1143 C PRO A 73 8.052 7.507 -2.140 1.00 0.00 C ATOM 1144 O PRO A 73 9.201 7.944 -2.195 1.00 0.00 O ATOM 1145 CB PRO A 73 5.984 8.847 -2.767 1.00 0.00 C ATOM 1146 CG PRO A 73 6.366 10.288 -3.064 1.00 0.00 C ATOM 1147 CD PRO A 73 7.237 10.784 -1.921 1.00 0.00 C ATOM 0 HA PRO A 73 6.368 7.775 -0.931 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.105 8.221 -3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.939 8.774 -2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.904 10.353 -4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.474 10.907 -3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.195 11.156 -2.286 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.759 11.605 -1.386 1.00 0.00 H new ATOM 1155 N PRO A 74 7.691 6.245 -2.495 1.00 0.00 N ATOM 1156 CA PRO A 74 6.309 5.807 -2.399 1.00 0.00 C ATOM 1157 C PRO A 74 5.915 5.548 -0.943 1.00 0.00 C ATOM 1158 O PRO A 74 6.777 5.333 -0.092 1.00 0.00 O ATOM 1159 CB PRO A 74 6.229 4.562 -3.266 1.00 0.00 C ATOM 1160 CG PRO A 74 7.661 4.083 -3.440 1.00 0.00 C ATOM 1161 CD PRO A 74 8.585 5.204 -2.994 1.00 0.00 C ATOM 0 HA PRO A 74 5.604 6.563 -2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.615 3.795 -2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.772 4.786 -4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.838 3.185 -2.848 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.852 3.822 -4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.271 4.866 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.194 5.568 -3.821 1.00 0.00 H new ATOM 1169 N GLN A 75 4.613 5.578 -0.702 1.00 0.00 N ATOM 1170 CA GLN A 75 4.094 5.349 0.636 1.00 0.00 C ATOM 1171 C GLN A 75 2.820 4.505 0.575 1.00 0.00 C ATOM 1172 O GLN A 75 1.718 5.044 0.485 1.00 0.00 O ATOM 1173 CB GLN A 75 3.841 6.673 1.360 1.00 0.00 C ATOM 1174 CG GLN A 75 5.156 7.392 1.665 1.00 0.00 C ATOM 1175 CD GLN A 75 5.583 7.162 3.116 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.775 6.908 3.995 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.893 7.266 3.318 1.00 0.00 N ATOM 0 H GLN A 75 3.902 5.757 -1.411 1.00 0.00 H new ATOM 0 HA GLN A 75 4.843 4.799 1.205 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.207 7.312 0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.301 6.486 2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.935 7.034 0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.042 8.460 1.481 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.514 7.481 2.538 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.277 7.131 4.253 1.00 0.00 H new ATOM 1186 N ILE A 76 3.012 3.195 0.625 1.00 0.00 N ATOM 1187 CA ILE A 76 1.892 2.271 0.576 1.00 0.00 C ATOM 1188 C ILE A 76 1.004 2.488 1.802 1.00 0.00 C ATOM 1189 O ILE A 76 1.504 2.714 2.903 1.00 0.00 O ATOM 1190 CB ILE A 76 2.390 0.833 0.424 1.00 0.00 C ATOM 1191 CG1 ILE A 76 2.946 0.591 -0.981 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.291 -0.169 0.786 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.467 0.428 -0.948 1.00 0.00 C ATOM 0 H ILE A 76 3.927 2.751 0.699 1.00 0.00 H new ATOM 0 HA ILE A 76 1.276 2.465 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 76 3.210 0.679 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.490 -0.302 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.680 1.425 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.671 -1.184 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.983 -0.013 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.435 -0.024 0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.837 0.257 -1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.921 1.333 -0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.728 -0.422 -0.318 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.299 2.412 1.571 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.261 2.597 2.644 1.00 0.00 C ATOM 1207 C PHE A 77 -2.572 1.870 2.336 1.00 0.00 C ATOM 1208 O PHE A 77 -3.294 2.248 1.414 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.536 4.098 2.744 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.600 4.840 3.701 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.740 4.685 5.045 1.00 0.00 C ATOM 1212 CD2 PHE A 77 0.371 5.653 3.207 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.128 5.374 5.933 1.00 0.00 C ATOM 1214 CE2 PHE A 77 1.240 6.341 4.095 1.00 0.00 C ATOM 1215 CZ PHE A 77 1.100 6.187 5.439 1.00 0.00 C ATOM 0 H PHE A 77 -0.711 2.225 0.657 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.862 2.193 3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.449 4.540 1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.565 4.247 3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.511 4.038 5.437 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.482 5.776 2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.016 5.252 7.000 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.012 6.987 3.703 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.761 6.710 6.114 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.840 0.839 3.125 1.00 0.00 N ATOM 1226 CA ASN A 78 -4.051 0.056 2.948 1.00 0.00 C ATOM 1227 C ASN A 78 -5.193 0.708 3.730 1.00 0.00 C ATOM 1228 O ASN A 78 -5.293 0.541 4.944 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.868 -1.368 3.477 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.996 -2.281 2.994 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -6.172 -2.000 3.161 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.575 -3.387 2.387 1.00 0.00 N ATOM 0 H ASN A 78 -2.239 0.528 3.888 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.276 0.019 1.882 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.908 -1.763 3.144 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.847 -1.355 4.567 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.251 -4.061 2.028 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.576 -3.561 2.280 1.00 0.00 H new ATOM 1239 N GLY A 79 -6.026 1.437 3.001 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.157 2.114 3.611 1.00 0.00 C ATOM 1241 C GLY A 79 -6.693 3.297 4.464 1.00 0.00 C ATOM 1242 O GLY A 79 -6.522 4.404 3.956 1.00 0.00 O ATOM 0 H GLY A 79 -5.940 1.573 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.837 2.465 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.715 1.412 4.230 1.00 0.00 H new ATOM 1246 N ASP A 80 -6.503 3.022 5.746 1.00 0.00 N ATOM 1247 CA ASP A 80 -6.063 4.049 6.674 1.00 0.00 C ATOM 1248 C ASP A 80 -5.004 3.464 7.612 1.00 0.00 C ATOM 1249 O ASP A 80 -4.688 4.055 8.643 1.00 0.00 O ATOM 1250 CB ASP A 80 -7.226 4.553 7.531 1.00 0.00 C ATOM 1251 CG ASP A 80 -7.946 3.475 8.342 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -7.234 2.710 9.029 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -9.193 3.439 8.258 1.00 0.00 O ATOM 0 H ASP A 80 -6.646 2.102 6.164 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.658 4.877 6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.850 5.312 8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.951 5.042 6.881 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.486 2.309 7.220 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.470 1.637 8.012 1.00 0.00 C ATOM 1260 C ARG A 81 -2.106 1.749 7.329 1.00 0.00 C ATOM 1261 O ARG A 81 -1.933 1.292 6.200 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.815 0.160 8.211 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.805 -0.210 9.695 1.00 0.00 C ATOM 1264 CD ARG A 81 -3.889 -1.726 9.883 1.00 0.00 C ATOM 1265 NE ARG A 81 -4.887 -2.053 10.925 1.00 0.00 N ATOM 1266 CZ ARG A 81 -4.970 -3.241 11.539 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -4.115 -4.222 11.219 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -5.908 -3.448 12.474 1.00 0.00 N ATOM 0 H ARG A 81 -4.751 1.822 6.364 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.433 2.123 8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.798 -0.048 7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.098 -0.460 7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.895 0.168 10.161 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.644 0.270 10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.164 -2.203 8.942 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.913 -2.120 10.166 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.554 -1.329 11.193 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.401 -4.064 10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.178 -5.126 11.687 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.558 -2.701 12.718 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.971 -4.352 12.941 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.170 2.358 8.043 1.00 0.00 N ATOM 1283 CA TYR A 82 0.174 2.535 7.520 1.00 0.00 C ATOM 1284 C TYR A 82 0.833 1.185 7.235 1.00 0.00 C ATOM 1285 O TYR A 82 0.975 0.357 8.134 1.00 0.00 O ATOM 1286 CB TYR A 82 0.962 3.253 8.617 1.00 0.00 C ATOM 1287 CG TYR A 82 2.385 3.640 8.210 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.681 3.883 6.884 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.372 3.746 9.168 1.00 0.00 C ATOM 1290 CE1 TYR A 82 4.020 4.247 6.500 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.712 4.111 8.784 1.00 0.00 C ATOM 1292 CZ TYR A 82 4.969 4.343 7.469 1.00 0.00 C ATOM 1293 OH TYR A 82 6.234 4.687 7.107 1.00 0.00 O ATOM 0 H TYR A 82 -1.316 2.735 8.979 1.00 0.00 H new ATOM 0 HA TYR A 82 0.152 3.096 6.586 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.421 4.153 8.909 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.009 2.610 9.496 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.908 3.800 6.134 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.140 3.555 10.206 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.265 4.439 5.466 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.494 4.198 9.524 1.00 0.00 H new ATOM 0 HH TYR A 82 6.203 5.261 6.313 1.00 0.00 H new ATOM 1303 N CYS A 83 1.219 1.003 5.980 1.00 0.00 N ATOM 1304 CA CYS A 83 1.860 -0.233 5.566 1.00 0.00 C ATOM 1305 C CYS A 83 3.376 -0.038 5.645 1.00 0.00 C ATOM 1306 O CYS A 83 4.023 -0.544 6.560 1.00 0.00 O ATOM 1307 CB CYS A 83 1.412 -0.661 4.167 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.355 -1.135 4.193 1.00 0.00 S ATOM 0 H CYS A 83 1.100 1.691 5.237 1.00 0.00 H new ATOM 0 HA CYS A 83 1.563 -1.041 6.234 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.568 0.155 3.461 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.017 -1.500 3.823 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.781 -1.290 2.974 1.00 0.00 H new ATOM 1314 N GLY A 84 3.897 0.698 4.674 1.00 0.00 N ATOM 1315 CA GLY A 84 5.324 0.966 4.623 1.00 0.00 C ATOM 1316 C GLY A 84 5.723 1.557 3.269 1.00 0.00 C ATOM 1317 O GLY A 84 4.955 1.495 2.310 1.00 0.00 O ATOM 0 H GLY A 84 3.357 1.117 3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.596 1.658 5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.877 0.043 4.798 1.00 0.00 H new ATOM 1321 N ASP A 85 6.923 2.118 3.234 1.00 0.00 N ATOM 1322 CA ASP A 85 7.432 2.720 2.014 1.00 0.00 C ATOM 1323 C ASP A 85 8.137 1.650 1.178 1.00 0.00 C ATOM 1324 O ASP A 85 8.099 0.468 1.516 1.00 0.00 O ATOM 1325 CB ASP A 85 8.447 3.821 2.326 1.00 0.00 C ATOM 1326 CG ASP A 85 9.765 3.334 2.931 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.710 2.334 3.679 1.00 0.00 O ATOM 1328 OD2 ASP A 85 10.798 3.972 2.632 1.00 0.00 O ATOM 0 H ASP A 85 7.557 2.168 4.031 1.00 0.00 H new ATOM 0 HA ASP A 85 6.589 3.149 1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.666 4.364 1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.989 4.532 3.014 1.00 0.00 H new ATOM 1333 N TYR A 86 8.764 2.103 0.102 1.00 0.00 N ATOM 1334 CA TYR A 86 9.477 1.199 -0.784 1.00 0.00 C ATOM 1335 C TYR A 86 10.392 0.262 0.007 1.00 0.00 C ATOM 1336 O TYR A 86 10.559 -0.901 -0.356 1.00 0.00 O ATOM 1337 CB TYR A 86 10.335 2.085 -1.690 1.00 0.00 C ATOM 1338 CG TYR A 86 11.381 1.318 -2.501 1.00 0.00 C ATOM 1339 CD1 TYR A 86 10.985 0.509 -3.546 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.719 1.437 -2.189 1.00 0.00 C ATOM 1341 CE1 TYR A 86 11.969 -0.213 -4.310 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.704 0.715 -2.953 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.280 -0.074 -3.976 1.00 0.00 C ATOM 1344 OH TYR A 86 14.210 -0.756 -4.697 1.00 0.00 O ATOM 0 H TYR A 86 8.793 3.084 -0.176 1.00 0.00 H new ATOM 0 HA TYR A 86 8.776 0.581 -1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.683 2.625 -2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.841 2.831 -1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.937 0.417 -3.791 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.028 2.072 -1.372 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.673 -0.851 -5.130 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.755 0.798 -2.719 1.00 0.00 H new ATOM 0 HH TYR A 86 14.167 -1.708 -4.469 1.00 0.00 H new ATOM 1354 N ASP A 87 10.960 0.804 1.074 1.00 0.00 N ATOM 1355 CA ASP A 87 11.854 0.031 1.920 1.00 0.00 C ATOM 1356 C ASP A 87 11.139 -1.241 2.381 1.00 0.00 C ATOM 1357 O ASP A 87 11.663 -2.342 2.224 1.00 0.00 O ATOM 1358 CB ASP A 87 12.257 0.825 3.164 1.00 0.00 C ATOM 1359 CG ASP A 87 13.416 0.226 3.965 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.500 0.068 3.363 1.00 0.00 O ATOM 1361 OD2 ASP A 87 13.191 -0.060 5.161 1.00 0.00 O ATOM 0 H ASP A 87 10.819 1.769 1.372 1.00 0.00 H new ATOM 0 HA ASP A 87 12.746 -0.208 1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.529 1.836 2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.389 0.912 3.818 1.00 0.00 H new ATOM 1366 N SER A 88 9.954 -1.046 2.941 1.00 0.00 N ATOM 1367 CA SER A 88 9.163 -2.163 3.426 1.00 0.00 C ATOM 1368 C SER A 88 8.750 -3.059 2.256 1.00 0.00 C ATOM 1369 O SER A 88 9.134 -4.226 2.197 1.00 0.00 O ATOM 1370 CB SER A 88 7.926 -1.675 4.183 1.00 0.00 C ATOM 1371 OG SER A 88 8.006 -1.962 5.576 1.00 0.00 O ATOM 0 H SER A 88 9.523 -0.131 3.069 1.00 0.00 H new ATOM 0 HA SER A 88 9.775 -2.740 4.119 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.814 -0.600 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.036 -2.147 3.766 1.00 0.00 H new ATOM 0 HG SER A 88 7.199 -1.634 6.025 1.00 0.00 H new ATOM 1377 N PHE A 89 7.973 -2.478 1.353 1.00 0.00 N ATOM 1378 CA PHE A 89 7.504 -3.209 0.188 1.00 0.00 C ATOM 1379 C PHE A 89 8.587 -4.152 -0.340 1.00 0.00 C ATOM 1380 O PHE A 89 8.309 -5.308 -0.655 1.00 0.00 O ATOM 1381 CB PHE A 89 7.178 -2.173 -0.889 1.00 0.00 C ATOM 1382 CG PHE A 89 7.147 -2.740 -2.309 1.00 0.00 C ATOM 1383 CD1 PHE A 89 6.449 -3.877 -2.573 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.819 -2.107 -3.309 1.00 0.00 C ATOM 1385 CE1 PHE A 89 6.421 -4.403 -3.892 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.790 -2.633 -4.627 1.00 0.00 C ATOM 1387 CZ PHE A 89 7.092 -3.770 -4.891 1.00 0.00 C ATOM 0 H PHE A 89 7.657 -1.510 1.405 1.00 0.00 H new ATOM 0 HA PHE A 89 6.633 -3.810 0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.209 -1.725 -0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.917 -1.373 -0.844 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.916 -4.380 -1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.374 -1.205 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.867 -5.306 -4.102 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.323 -2.130 -5.421 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.071 -4.170 -5.894 1.00 0.00 H new ATOM 1397 N PHE A 90 9.799 -3.623 -0.421 1.00 0.00 N ATOM 1398 CA PHE A 90 10.925 -4.403 -0.906 1.00 0.00 C ATOM 1399 C PHE A 90 11.299 -5.503 0.090 1.00 0.00 C ATOM 1400 O PHE A 90 11.517 -6.650 -0.299 1.00 0.00 O ATOM 1401 CB PHE A 90 12.106 -3.441 -1.052 1.00 0.00 C ATOM 1402 CG PHE A 90 13.207 -3.946 -1.988 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.123 -4.844 -1.538 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.269 -3.495 -3.269 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.144 -5.312 -2.406 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.291 -3.962 -4.138 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.207 -4.861 -3.687 1.00 0.00 C ATOM 0 H PHE A 90 10.026 -2.664 -0.159 1.00 0.00 H new ATOM 0 HA PHE A 90 10.668 -4.878 -1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.738 -2.484 -1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.536 -3.257 -0.067 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.074 -5.201 -0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.541 -2.782 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 90 15.871 -6.026 -2.049 1.00 0.00 H new ATOM 0 HE2 PHE A 90 14.341 -3.604 -5.156 1.00 0.00 H new ATOM 0 HZ PHE A 90 15.985 -5.217 -4.347 1.00 0.00 H new ATOM 1417 N GLU A 91 11.363 -5.115 1.355 1.00 0.00 N ATOM 1418 CA GLU A 91 11.707 -6.053 2.410 1.00 0.00 C ATOM 1419 C GLU A 91 10.658 -7.164 2.495 1.00 0.00 C ATOM 1420 O GLU A 91 10.892 -8.197 3.121 1.00 0.00 O ATOM 1421 CB GLU A 91 11.859 -5.337 3.753 1.00 0.00 C ATOM 1422 CG GLU A 91 13.326 -5.282 4.183 1.00 0.00 C ATOM 1423 CD GLU A 91 13.447 -5.129 5.700 1.00 0.00 C ATOM 1424 OE1 GLU A 91 12.803 -5.935 6.406 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.182 -4.209 6.121 1.00 0.00 O ATOM 0 H GLU A 91 11.182 -4.163 1.673 1.00 0.00 H new ATOM 0 HA GLU A 91 12.668 -6.506 2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.461 -4.325 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.273 -5.854 4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.837 -6.191 3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.822 -4.447 3.689 1.00 0.00 H new ATOM 1432 N SER A 92 9.525 -6.913 1.857 1.00 0.00 N ATOM 1433 CA SER A 92 8.439 -7.879 1.853 1.00 0.00 C ATOM 1434 C SER A 92 8.465 -8.691 0.557 1.00 0.00 C ATOM 1435 O SER A 92 7.977 -9.819 0.516 1.00 0.00 O ATOM 1436 CB SER A 92 7.085 -7.186 2.019 1.00 0.00 C ATOM 1437 OG SER A 92 7.028 -6.402 3.207 1.00 0.00 O ATOM 0 H SER A 92 9.335 -6.055 1.339 1.00 0.00 H new ATOM 0 HA SER A 92 8.578 -8.553 2.698 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.896 -6.549 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.294 -7.936 2.041 1.00 0.00 H new ATOM 0 HG SER A 92 7.619 -5.626 3.115 1.00 0.00 H new ATOM 1443 N LYS A 93 9.040 -8.085 -0.472 1.00 0.00 N ATOM 1444 CA LYS A 93 9.137 -8.737 -1.767 1.00 0.00 C ATOM 1445 C LYS A 93 10.093 -9.927 -1.664 1.00 0.00 C ATOM 1446 O LYS A 93 9.711 -11.061 -1.947 1.00 0.00 O ATOM 1447 CB LYS A 93 9.526 -7.727 -2.848 1.00 0.00 C ATOM 1448 CG LYS A 93 8.287 -7.049 -3.436 1.00 0.00 C ATOM 1449 CD LYS A 93 8.618 -6.355 -4.759 1.00 0.00 C ATOM 1450 CE LYS A 93 9.563 -5.172 -4.536 1.00 0.00 C ATOM 1451 NZ LYS A 93 10.971 -5.594 -4.705 1.00 0.00 N ATOM 0 H LYS A 93 9.444 -7.149 -0.435 1.00 0.00 H new ATOM 0 HA LYS A 93 8.167 -9.132 -2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.191 -6.974 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.079 -8.232 -3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.504 -7.790 -3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.896 -6.320 -2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.078 -7.068 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.699 -6.007 -5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.329 -4.374 -5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.417 -4.766 -3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.549 -5.188 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.029 -6.632 -4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.326 -5.259 -5.624 1.00 0.00 H new ATOM 1465 N GLU A 94 11.318 -9.627 -1.257 1.00 0.00 N ATOM 1466 CA GLU A 94 12.332 -10.658 -1.113 1.00 0.00 C ATOM 1467 C GLU A 94 11.816 -11.788 -0.219 1.00 0.00 C ATOM 1468 O GLU A 94 12.283 -12.922 -0.316 1.00 0.00 O ATOM 1469 CB GLU A 94 13.633 -10.073 -0.561 1.00 0.00 C ATOM 1470 CG GLU A 94 14.277 -9.119 -1.569 1.00 0.00 C ATOM 1471 CD GLU A 94 15.801 -9.132 -1.440 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.274 -9.047 -0.286 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.460 -9.226 -2.499 1.00 0.00 O ATOM 0 H GLU A 94 11.631 -8.685 -1.023 1.00 0.00 H new ATOM 0 HA GLU A 94 12.547 -11.070 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.431 -9.542 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.327 -10.880 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.992 -9.407 -2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.903 -8.108 -1.408 1.00 0.00 H new ATOM 1480 N SER A 95 10.861 -11.439 0.630 1.00 0.00 N ATOM 1481 CA SER A 95 10.278 -12.411 1.540 1.00 0.00 C ATOM 1482 C SER A 95 8.976 -12.960 0.954 1.00 0.00 C ATOM 1483 O SER A 95 8.507 -14.022 1.362 1.00 0.00 O ATOM 1484 CB SER A 95 10.021 -11.792 2.915 1.00 0.00 C ATOM 1485 OG SER A 95 10.883 -12.332 3.913 1.00 0.00 O ATOM 0 H SER A 95 10.476 -10.497 0.707 1.00 0.00 H new ATOM 0 HA SER A 95 10.986 -13.230 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.163 -10.713 2.859 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.983 -11.963 3.201 1.00 0.00 H new ATOM 0 HG SER A 95 10.689 -11.910 4.776 1.00 0.00 H new ATOM 1491 N ASN A 96 8.429 -12.213 0.006 1.00 0.00 N ATOM 1492 CA ASN A 96 7.191 -12.613 -0.641 1.00 0.00 C ATOM 1493 C ASN A 96 6.029 -12.438 0.340 1.00 0.00 C ATOM 1494 O ASN A 96 5.216 -13.345 0.512 1.00 0.00 O ATOM 1495 CB ASN A 96 7.238 -14.083 -1.061 1.00 0.00 C ATOM 1496 CG ASN A 96 6.240 -14.364 -2.186 1.00 0.00 C ATOM 1497 OD1 ASN A 96 6.804 -14.563 -3.373 1.00 0.00 O flip ATOM 1498 ND2 ASN A 96 5.036 -14.398 -1.988 1.00 0.00 N flip ATOM 0 H ASN A 96 8.821 -11.333 -0.330 1.00 0.00 H new ATOM 0 HA ASN A 96 7.056 -11.990 -1.525 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.245 -14.339 -1.391 1.00 0.00 H new ATOM 0 HB3 ASN A 96 7.013 -14.717 -0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.669 -14.236 -1.050 1.00 0.00 H new ATOM 0 HD22 ASN A 96 4.397 -14.588 -2.760 1.00 0.00 H new ATOM 1505 N THR A 97 5.989 -11.267 0.958 1.00 0.00 N ATOM 1506 CA THR A 97 4.941 -10.962 1.917 1.00 0.00 C ATOM 1507 C THR A 97 4.212 -9.678 1.520 1.00 0.00 C ATOM 1508 O THR A 97 3.287 -9.247 2.207 1.00 0.00 O ATOM 1509 CB THR A 97 5.577 -10.895 3.307 1.00 0.00 C ATOM 1510 OG1 THR A 97 6.789 -10.174 3.100 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.040 -12.265 3.807 1.00 0.00 C ATOM 0 H THR A 97 6.666 -10.518 0.813 1.00 0.00 H new ATOM 0 HA THR A 97 4.178 -11.740 1.930 1.00 0.00 H new ATOM 0 HB THR A 97 4.861 -10.474 4.013 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.265 -10.083 3.952 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.483 -12.160 4.797 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.186 -12.940 3.862 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.781 -12.672 3.119 1.00 0.00 H new ATOM 1519 N VAL A 98 4.655 -9.102 0.411 1.00 0.00 N ATOM 1520 CA VAL A 98 4.055 -7.876 -0.086 1.00 0.00 C ATOM 1521 C VAL A 98 2.554 -7.891 0.207 1.00 0.00 C ATOM 1522 O VAL A 98 2.034 -6.981 0.850 1.00 0.00 O ATOM 1523 CB VAL A 98 4.373 -7.704 -1.573 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.376 -6.753 -2.240 1.00 0.00 C ATOM 1525 CG2 VAL A 98 5.810 -7.221 -1.775 1.00 0.00 C ATOM 0 H VAL A 98 5.422 -9.462 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 98 4.476 -7.010 0.425 1.00 0.00 H new ATOM 0 HB VAL A 98 4.278 -8.679 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.624 -6.648 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.368 -7.156 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.425 -5.777 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.009 -7.107 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.945 -6.261 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.502 -7.950 -1.352 1.00 0.00 H new ATOM 1535 N PHE A 99 1.899 -8.936 -0.279 1.00 0.00 N ATOM 1536 CA PHE A 99 0.468 -9.082 -0.077 1.00 0.00 C ATOM 1537 C PHE A 99 0.095 -8.854 1.389 1.00 0.00 C ATOM 1538 O PHE A 99 -0.797 -8.062 1.690 1.00 0.00 O ATOM 1539 CB PHE A 99 0.106 -10.517 -0.467 1.00 0.00 C ATOM 1540 CG PHE A 99 0.081 -10.764 -1.976 1.00 0.00 C ATOM 1541 CD1 PHE A 99 1.221 -11.124 -2.625 1.00 0.00 C ATOM 1542 CD2 PHE A 99 -1.081 -10.625 -2.669 1.00 0.00 C ATOM 1543 CE1 PHE A 99 1.198 -11.354 -4.026 1.00 0.00 C ATOM 1544 CE2 PHE A 99 -1.104 -10.855 -4.070 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.036 -11.215 -4.719 1.00 0.00 C ATOM 0 H PHE A 99 2.334 -9.689 -0.812 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.070 -8.349 -0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.823 -11.199 -0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.873 -10.759 -0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.144 -11.235 -2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.986 -10.340 -2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.103 -11.639 -4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.027 -10.744 -4.620 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.018 -11.390 -5.785 1.00 0.00 H new ATOM 1555 N SER A 100 0.796 -9.563 2.262 1.00 0.00 N ATOM 1556 CA SER A 100 0.549 -9.448 3.689 1.00 0.00 C ATOM 1557 C SER A 100 0.978 -8.066 4.184 1.00 0.00 C ATOM 1558 O SER A 100 0.291 -7.455 5.002 1.00 0.00 O ATOM 1559 CB SER A 100 1.286 -10.542 4.465 1.00 0.00 C ATOM 1560 OG SER A 100 0.779 -10.692 5.788 1.00 0.00 O ATOM 0 H SER A 100 1.535 -10.219 2.008 1.00 0.00 H new ATOM 0 HA SER A 100 -0.520 -9.574 3.863 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.195 -11.489 3.932 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.348 -10.302 4.509 1.00 0.00 H new ATOM 0 HG SER A 100 1.274 -11.400 6.250 1.00 0.00 H new ATOM 1566 N PHE A 101 2.110 -7.612 3.668 1.00 0.00 N ATOM 1567 CA PHE A 101 2.638 -6.313 4.048 1.00 0.00 C ATOM 1568 C PHE A 101 1.608 -5.209 3.802 1.00 0.00 C ATOM 1569 O PHE A 101 1.522 -4.252 4.571 1.00 0.00 O ATOM 1570 CB PHE A 101 3.864 -6.054 3.170 1.00 0.00 C ATOM 1571 CG PHE A 101 4.219 -4.573 3.017 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.365 -3.792 4.121 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.389 -4.039 1.778 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.694 -2.418 3.979 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.718 -2.665 1.637 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.864 -1.883 2.740 1.00 0.00 C ATOM 0 H PHE A 101 2.677 -8.121 2.989 1.00 0.00 H new ATOM 0 HA PHE A 101 2.889 -6.310 5.109 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.719 -6.580 3.594 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.687 -6.478 2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.231 -4.217 5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.274 -4.660 0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.809 -1.797 4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.852 -2.241 0.653 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.115 -0.838 2.632 1.00 0.00 H new ATOM 1586 N LEU A 102 0.851 -5.379 2.728 1.00 0.00 N ATOM 1587 CA LEU A 102 -0.171 -4.409 2.371 1.00 0.00 C ATOM 1588 C LEU A 102 -1.460 -4.729 3.131 1.00 0.00 C ATOM 1589 O LEU A 102 -2.306 -3.857 3.320 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.350 -4.353 0.853 1.00 0.00 C ATOM 1591 CG LEU A 102 0.934 -4.419 0.023 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.765 -5.354 -1.176 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.387 -3.020 -0.399 1.00 0.00 C ATOM 0 H LEU A 102 0.925 -6.174 2.093 1.00 0.00 H new ATOM 0 HA LEU A 102 0.135 -3.406 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.996 -5.178 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.874 -3.430 0.603 1.00 0.00 H new ATOM 0 HG LEU A 102 1.723 -4.837 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.692 -5.382 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.525 -6.357 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.043 -4.989 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.301 -3.096 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.607 -2.551 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.576 -2.416 0.488 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.568 -5.983 3.546 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.739 -6.429 4.281 1.00 0.00 C ATOM 1607 C GLY A 103 -3.724 -7.151 3.358 1.00 0.00 C ATOM 1608 O GLY A 103 -4.937 -7.013 3.509 1.00 0.00 O ATOM 0 H GLY A 103 -0.864 -6.704 3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.434 -7.097 5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.230 -5.573 4.744 1.00 0.00 H new ATOM 1612 N LEU A 104 -3.165 -7.904 2.422 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.978 -8.646 1.474 1.00 0.00 C ATOM 1614 C LEU A 104 -4.129 -10.089 1.960 1.00 0.00 C ATOM 1615 O LEU A 104 -4.847 -10.352 2.924 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.398 -8.530 0.063 1.00 0.00 C ATOM 1617 CG LEU A 104 -3.319 -7.116 -0.515 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.618 -7.118 -1.875 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.707 -6.475 -0.587 1.00 0.00 C ATOM 0 H LEU A 104 -2.159 -8.016 2.300 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.980 -8.221 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.395 -8.956 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.001 -9.142 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.716 -6.505 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.575 -6.101 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.606 -7.506 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.173 -7.749 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.623 -5.470 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.353 -7.078 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.135 -6.420 0.414 1.00 0.00 H new