USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=41 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: B 19 SER OG : rot 138:sc= 0.605 USER MOD Set 1.2: B 63 LYS NZ :NH3+ -149:sc= 0.784 (180deg=0) USER MOD Set 2.1: B 25 ASN : amide:sc= 0.803 K(o=2.7,f=-3.7!) USER MOD Set 2.2: B 29 LYS NZ :NH3+ -167:sc= 1.88 (180deg=0.971) USER MOD Set 3.1: B 7 THR OG1 : rot 138:sc= 0.27! USER MOD Set 3.2: B 9 THR OG1 : rot 180:sc= 1.19 USER MOD Set 4.1: A 13 TYR OH : rot -141:sc= 1.27 USER MOD Set 4.2: B 68 HIS : no HE2:sc= 0.259 K(o=1.5,f=-6.7!) USER MOD Single : A 7 LYS NZ :NH3+ 141:sc= 0.896 (180deg=-0.455!) USER MOD Single : A 12 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.26) USER MOD Single : A 16 MET CE :methyl -143:sc= -0.228 (180deg=-0.954) USER MOD Single : A 19 SER OG : rot 77:sc= 0.0406 USER MOD Single : A 20 GLN : amide:sc= -1.03! C(o=-1!,f=-4.3!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 26 LYS NZ :NH3+ -130:sc= -0.35 (180deg=-1.86!) USER MOD Single : A 27 SER OG : rot 49:sc= 1.22 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= -5.1! (180deg=-5.19!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= 1.17 (180deg=1.08) USER MOD Single : A 44 MET CE :methyl -141:sc= -0.363 (180deg=-1.24) USER MOD Single : A 45 CYS SG : rot 4:sc= -0.857 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.613 F(o=-2.3!,f=-0.61) USER MOD Single : A 50 SER OG : rot 120:sc= -0.4 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -4.48! C(o=-4.5!,f=-8.8!) USER MOD Single : B 1 MET CE :methyl 179:sc= -0.322 (180deg=-0.327) USER MOD Single : B 1 MET N :NH3+ 175:sc= 2.2 (180deg=2.07) USER MOD Single : B 2 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0237) USER MOD Single : B 12 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : B 14 THR OG1 : rot -75:sc= 0.017 USER MOD Single : B 20 SER OG : rot 101:sc= 1.26 USER MOD Single : B 22 THR OG1 : rot 140:sc= 0.739 USER MOD Single : B 27 LYS NZ :NH3+ 151:sc= 1.24 (180deg=1.03) USER MOD Single : B 28 SER OG : rot 74:sc= 1.03 USER MOD Single : B 31 GLN :FLIP amide:sc= -0.0248 F(o=-1.2!,f=-0.025) USER MOD Single : B 33 LYS NZ :NH3+ -119:sc= -0.17 (180deg=-0.203) USER MOD Single : B 40 GLN :FLIP amide:sc= -0.146 F(o=-0.71,f=-0.15) USER MOD Single : B 41 GLN : amide:sc= -0.74 K(o=-0.74,f=-4.1!) USER MOD Single : B 48 LYS NZ :NH3+ -164:sc= 1.24 (180deg=0.923) USER MOD Single : B 49 GLN : amide:sc= 1.35 K(o=1.3,f=-7.7!) USER MOD Single : B 55 THR OG1 : rot -58:sc= 1.11 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot 48:sc= 1.05 USER MOD Single : B 60 ASN : amide:sc= 0 X(o=0,f=0.0074) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 65 SER OG : rot -103:sc= 0.228 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 7 -19.323 3.743 0.422 1.00 0.00 N ATOM 97 CA LYS A 7 -18.739 3.834 -0.901 1.00 0.00 C ATOM 98 C LYS A 7 -18.335 2.439 -1.352 1.00 0.00 C ATOM 99 O LYS A 7 -18.290 1.511 -0.546 1.00 0.00 O ATOM 100 CB LYS A 7 -17.519 4.763 -0.913 1.00 0.00 C ATOM 101 CG LYS A 7 -17.746 6.103 -0.230 1.00 0.00 C ATOM 102 CD LYS A 7 -16.629 7.084 -0.560 1.00 0.00 C ATOM 103 CE LYS A 7 -16.656 8.309 0.343 1.00 0.00 C ATOM 104 NZ LYS A 7 -16.147 8.001 1.705 1.00 0.00 N ATOM 0 HA LYS A 7 -19.478 4.254 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -16.686 4.256 -0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.223 4.941 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -18.703 6.518 -0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -17.801 5.960 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.666 6.583 -0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -16.719 7.399 -1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -16.052 9.101 -0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -17.676 8.687 0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.575 8.798 2.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.949 7.846 2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.560 7.143 1.670 1.00 0.00 H new ATOM 118 N ARG A 8 -18.055 2.278 -2.629 1.00 0.00 N ATOM 119 CA ARG A 8 -17.589 0.997 -3.131 1.00 0.00 C ATOM 120 C ARG A 8 -16.301 1.182 -3.901 1.00 0.00 C ATOM 121 O ARG A 8 -15.979 2.295 -4.332 1.00 0.00 O ATOM 122 CB ARG A 8 -18.646 0.325 -4.012 1.00 0.00 C ATOM 123 CG ARG A 8 -19.929 -0.005 -3.269 1.00 0.00 C ATOM 124 CD ARG A 8 -20.845 -0.894 -4.089 1.00 0.00 C ATOM 125 NE ARG A 8 -21.201 -0.297 -5.375 1.00 0.00 N ATOM 126 CZ ARG A 8 -22.425 -0.340 -5.901 1.00 0.00 C ATOM 127 NH1 ARG A 8 -23.418 -0.919 -5.237 1.00 0.00 N ATOM 128 NH2 ARG A 8 -22.654 0.199 -7.091 1.00 0.00 N ATOM 0 H ARG A 8 -18.140 3.010 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.405 0.344 -2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.879 0.980 -4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.231 -0.592 -4.430 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.687 -0.502 -2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -20.450 0.918 -3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.357 -1.853 -4.260 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -21.754 -1.095 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 8 -20.469 0.181 -5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -23.246 -1.333 -4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -24.353 -0.950 -5.643 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -21.894 0.646 -7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -23.590 0.166 -7.494 1.00 0.00 H new ATOM 142 N GLY A 9 -15.552 0.109 -4.055 1.00 0.00 N ATOM 143 CA GLY A 9 -14.308 0.191 -4.773 1.00 0.00 C ATOM 144 C GLY A 9 -13.816 -1.161 -5.225 1.00 0.00 C ATOM 145 O GLY A 9 -14.305 -2.200 -4.770 1.00 0.00 O ATOM 0 H GLY A 9 -15.784 -0.817 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.435 0.838 -5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.554 0.655 -4.137 1.00 0.00 H new ATOM 149 N ILE A 10 -12.851 -1.151 -6.127 1.00 0.00 N ATOM 150 CA ILE A 10 -12.262 -2.382 -6.612 1.00 0.00 C ATOM 151 C ILE A 10 -10.764 -2.395 -6.327 1.00 0.00 C ATOM 152 O ILE A 10 -10.040 -1.476 -6.710 1.00 0.00 O ATOM 153 CB ILE A 10 -12.520 -2.586 -8.123 1.00 0.00 C ATOM 154 CG1 ILE A 10 -14.022 -2.755 -8.368 1.00 0.00 C ATOM 155 CG2 ILE A 10 -11.745 -3.788 -8.647 1.00 0.00 C ATOM 156 CD1 ILE A 10 -14.386 -3.036 -9.808 1.00 0.00 C ATOM 0 H ILE A 10 -12.460 -0.303 -6.537 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.738 -3.207 -6.082 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.170 -1.707 -8.665 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.391 -3.570 -7.746 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.536 -1.850 -8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.942 -3.912 -9.712 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.678 -3.629 -8.492 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.060 -4.685 -8.113 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -15.467 -3.142 -9.896 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.050 -2.211 -10.436 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.903 -3.958 -10.132 1.00 0.00 H new ATOM 168 N VAL A 11 -10.302 -3.424 -5.633 1.00 0.00 N ATOM 169 CA VAL A 11 -8.901 -3.511 -5.253 1.00 0.00 C ATOM 170 C VAL A 11 -8.008 -3.822 -6.459 1.00 0.00 C ATOM 171 O VAL A 11 -8.242 -4.776 -7.201 1.00 0.00 O ATOM 172 CB VAL A 11 -8.684 -4.550 -4.131 1.00 0.00 C ATOM 173 CG1 VAL A 11 -9.316 -5.882 -4.492 1.00 0.00 C ATOM 174 CG2 VAL A 11 -7.204 -4.720 -3.829 1.00 0.00 C ATOM 0 H VAL A 11 -10.875 -4.208 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.613 -2.533 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.174 -4.178 -3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.148 -6.595 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.387 -5.748 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.867 -6.261 -5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.077 -5.457 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.686 -5.060 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.786 -3.766 -3.508 1.00 0.00 H new ATOM 184 N GLN A 12 -6.995 -2.985 -6.647 1.00 0.00 N ATOM 185 CA GLN A 12 -6.104 -3.086 -7.794 1.00 0.00 C ATOM 186 C GLN A 12 -5.039 -4.156 -7.581 1.00 0.00 C ATOM 187 O GLN A 12 -4.950 -5.119 -8.344 1.00 0.00 O ATOM 188 CB GLN A 12 -5.424 -1.738 -8.051 1.00 0.00 C ATOM 189 CG GLN A 12 -6.392 -0.588 -8.274 1.00 0.00 C ATOM 190 CD GLN A 12 -7.267 -0.792 -9.493 1.00 0.00 C ATOM 191 OE1 GLN A 12 -6.904 -0.404 -10.604 1.00 0.00 O ATOM 192 NE2 GLN A 12 -8.426 -1.395 -9.294 1.00 0.00 N ATOM 0 H GLN A 12 -6.769 -2.220 -6.011 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.707 -3.368 -8.657 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.782 -1.499 -7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.778 -1.830 -8.924 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.024 -0.473 -7.393 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.830 0.339 -8.386 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.688 -1.701 -8.357 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.059 -1.555 -10.078 1.00 0.00 H new ATOM 201 N TYR A 13 -4.231 -3.979 -6.546 1.00 0.00 N ATOM 202 CA TYR A 13 -3.128 -4.890 -6.268 1.00 0.00 C ATOM 203 C TYR A 13 -3.607 -6.100 -5.475 1.00 0.00 C ATOM 204 O TYR A 13 -4.788 -6.220 -5.157 1.00 0.00 O ATOM 205 CB TYR A 13 -2.017 -4.172 -5.495 1.00 0.00 C ATOM 206 CG TYR A 13 -1.409 -2.994 -6.228 1.00 0.00 C ATOM 207 CD1 TYR A 13 -0.492 -3.184 -7.253 1.00 0.00 C ATOM 208 CD2 TYR A 13 -1.746 -1.690 -5.883 1.00 0.00 C ATOM 209 CE1 TYR A 13 0.072 -2.110 -7.917 1.00 0.00 C ATOM 210 CE2 TYR A 13 -1.185 -0.611 -6.540 1.00 0.00 C ATOM 211 CZ TYR A 13 -0.277 -0.825 -7.555 1.00 0.00 C ATOM 212 OH TYR A 13 0.288 0.251 -8.208 1.00 0.00 O ATOM 0 H TYR A 13 -4.318 -3.210 -5.882 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.732 -5.233 -7.224 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.419 -3.825 -4.543 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.228 -4.889 -5.266 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.214 -4.188 -7.537 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.457 -1.517 -5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.781 -2.276 -8.714 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.457 0.396 -6.259 1.00 0.00 H new ATOM 0 HH TYR A 13 0.479 0.962 -7.562 1.00 0.00 H new ATOM 222 N ASP A 14 -2.683 -6.995 -5.165 1.00 0.00 N ATOM 223 CA ASP A 14 -3.002 -8.197 -4.400 1.00 0.00 C ATOM 224 C ASP A 14 -2.333 -8.124 -3.035 1.00 0.00 C ATOM 225 O ASP A 14 -1.110 -8.237 -2.936 1.00 0.00 O ATOM 226 CB ASP A 14 -2.524 -9.437 -5.159 1.00 0.00 C ATOM 227 CG ASP A 14 -3.170 -10.717 -4.666 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.300 -11.016 -5.106 1.00 0.00 O ATOM 229 OD2 ASP A 14 -2.540 -11.445 -3.872 1.00 0.00 O ATOM 0 H ASP A 14 -1.702 -6.914 -5.431 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.081 -8.265 -4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.740 -9.313 -6.220 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.442 -9.521 -5.062 1.00 0.00 H new ATOM 234 N PHE A 15 -3.124 -7.926 -1.989 1.00 0.00 N ATOM 235 CA PHE A 15 -2.578 -7.656 -0.663 1.00 0.00 C ATOM 236 C PHE A 15 -2.780 -8.826 0.286 1.00 0.00 C ATOM 237 O PHE A 15 -3.909 -9.223 0.578 1.00 0.00 O ATOM 238 CB PHE A 15 -3.213 -6.398 -0.067 1.00 0.00 C ATOM 239 CG PHE A 15 -2.699 -6.048 1.304 1.00 0.00 C ATOM 240 CD1 PHE A 15 -1.419 -5.545 1.471 1.00 0.00 C ATOM 241 CD2 PHE A 15 -3.498 -6.226 2.423 1.00 0.00 C ATOM 242 CE1 PHE A 15 -0.944 -5.225 2.729 1.00 0.00 C ATOM 243 CE2 PHE A 15 -3.029 -5.907 3.683 1.00 0.00 C ATOM 244 CZ PHE A 15 -1.750 -5.407 3.837 1.00 0.00 C ATOM 0 H PHE A 15 -4.143 -7.947 -2.031 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.506 -7.502 -0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.032 -5.558 -0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.293 -6.537 -0.015 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.785 -5.401 0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.498 -6.618 2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.056 -4.833 2.846 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.662 -6.048 4.547 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.381 -5.159 4.821 1.00 0.00 H new ATOM 254 N MET A 16 -1.674 -9.366 0.773 1.00 0.00 N ATOM 255 CA MET A 16 -1.710 -10.394 1.800 1.00 0.00 C ATOM 256 C MET A 16 -1.600 -9.749 3.178 1.00 0.00 C ATOM 257 O MET A 16 -0.715 -8.925 3.412 1.00 0.00 O ATOM 258 CB MET A 16 -0.571 -11.397 1.601 1.00 0.00 C ATOM 259 CG MET A 16 -0.730 -12.277 0.369 1.00 0.00 C ATOM 260 SD MET A 16 -2.178 -13.350 0.464 1.00 0.00 S ATOM 261 CE MET A 16 -1.847 -14.244 1.982 1.00 0.00 C ATOM 0 H MET A 16 -0.735 -9.107 0.471 1.00 0.00 H new ATOM 0 HA MET A 16 -2.657 -10.929 1.725 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.370 -10.852 1.527 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.503 -12.033 2.483 1.00 0.00 H new ATOM 0 HG2 MET A 16 -0.808 -11.646 -0.516 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.164 -12.889 0.247 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.180 -15.277 1.876 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.777 -14.227 2.188 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.383 -13.773 2.806 1.00 0.00 H new ATOM 271 N ALA A 17 -2.504 -10.108 4.079 1.00 0.00 N ATOM 272 CA ALA A 17 -2.512 -9.536 5.418 1.00 0.00 C ATOM 273 C ALA A 17 -1.945 -10.521 6.429 1.00 0.00 C ATOM 274 O ALA A 17 -1.990 -11.736 6.218 1.00 0.00 O ATOM 275 CB ALA A 17 -3.923 -9.133 5.810 1.00 0.00 C ATOM 0 H ALA A 17 -3.241 -10.792 3.907 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.881 -8.647 5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.914 -8.707 6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.299 -8.392 5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.570 -10.010 5.794 1.00 0.00 H new ATOM 281 N GLU A 18 -1.411 -10.003 7.522 1.00 0.00 N ATOM 282 CA GLU A 18 -0.870 -10.852 8.569 1.00 0.00 C ATOM 283 C GLU A 18 -1.629 -10.633 9.871 1.00 0.00 C ATOM 284 O GLU A 18 -1.960 -11.583 10.576 1.00 0.00 O ATOM 285 CB GLU A 18 0.617 -10.574 8.778 1.00 0.00 C ATOM 286 CG GLU A 18 1.294 -11.588 9.687 1.00 0.00 C ATOM 287 CD GLU A 18 2.714 -11.208 10.039 1.00 0.00 C ATOM 288 OE1 GLU A 18 3.643 -11.583 9.290 1.00 0.00 O ATOM 289 OE2 GLU A 18 2.910 -10.547 11.080 1.00 0.00 O ATOM 0 H GLU A 18 -1.341 -9.002 7.707 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.987 -11.891 8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.119 -10.571 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.738 -9.577 9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.713 -11.691 10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.295 -12.562 9.199 1.00 0.00 H new ATOM 296 N SER A 19 -1.919 -9.376 10.172 1.00 0.00 N ATOM 297 CA SER A 19 -2.590 -9.029 11.411 1.00 0.00 C ATOM 298 C SER A 19 -4.104 -9.094 11.227 1.00 0.00 C ATOM 299 O SER A 19 -4.600 -9.026 10.101 1.00 0.00 O ATOM 300 CB SER A 19 -2.166 -7.626 11.848 1.00 0.00 C ATOM 301 OG SER A 19 -0.763 -7.459 11.707 1.00 0.00 O ATOM 0 H SER A 19 -1.699 -8.580 9.573 1.00 0.00 H new ATOM 0 HA SER A 19 -2.307 -9.743 12.184 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.688 -6.880 11.249 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.454 -7.460 12.886 1.00 0.00 H new ATOM 0 HG SER A 19 -0.544 -7.317 10.762 1.00 0.00 H new ATOM 307 N GLN A 20 -4.830 -9.221 12.328 1.00 0.00 N ATOM 308 CA GLN A 20 -6.284 -9.323 12.283 1.00 0.00 C ATOM 309 C GLN A 20 -6.914 -7.971 11.965 1.00 0.00 C ATOM 310 O GLN A 20 -8.064 -7.898 11.533 1.00 0.00 O ATOM 311 CB GLN A 20 -6.847 -9.882 13.602 1.00 0.00 C ATOM 312 CG GLN A 20 -6.510 -9.061 14.843 1.00 0.00 C ATOM 313 CD GLN A 20 -5.064 -9.214 15.283 1.00 0.00 C ATOM 314 OE1 GLN A 20 -4.190 -8.458 14.862 1.00 0.00 O ATOM 315 NE2 GLN A 20 -4.801 -10.199 16.125 1.00 0.00 N ATOM 0 H GLN A 20 -4.435 -9.256 13.268 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.540 -10.020 11.485 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.931 -9.955 13.516 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.470 -10.895 13.741 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.713 -8.009 14.642 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.166 -9.362 15.660 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.553 -10.805 16.452 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.846 -10.353 16.448 1.00 0.00 H new ATOM 324 N ASP A 21 -6.154 -6.901 12.181 1.00 0.00 N ATOM 325 CA ASP A 21 -6.590 -5.564 11.789 1.00 0.00 C ATOM 326 C ASP A 21 -6.680 -5.471 10.276 1.00 0.00 C ATOM 327 O ASP A 21 -7.595 -4.862 9.729 1.00 0.00 O ATOM 328 CB ASP A 21 -5.616 -4.492 12.292 1.00 0.00 C ATOM 329 CG ASP A 21 -5.740 -4.216 13.775 1.00 0.00 C ATOM 330 OD1 ASP A 21 -5.145 -4.964 14.576 1.00 0.00 O ATOM 331 OD2 ASP A 21 -6.427 -3.243 14.149 1.00 0.00 O ATOM 0 H ASP A 21 -5.236 -6.933 12.624 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.569 -5.390 12.236 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.596 -4.807 12.073 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.789 -3.567 11.742 1.00 0.00 H new ATOM 336 N GLU A 22 -5.728 -6.107 9.610 1.00 0.00 N ATOM 337 CA GLU A 22 -5.584 -6.005 8.168 1.00 0.00 C ATOM 338 C GLU A 22 -6.524 -6.979 7.458 1.00 0.00 C ATOM 339 O GLU A 22 -7.012 -7.936 8.063 1.00 0.00 O ATOM 340 CB GLU A 22 -4.131 -6.294 7.795 1.00 0.00 C ATOM 341 CG GLU A 22 -3.133 -5.512 8.638 1.00 0.00 C ATOM 342 CD GLU A 22 -1.706 -5.991 8.461 1.00 0.00 C ATOM 343 OE1 GLU A 22 -1.454 -7.199 8.669 1.00 0.00 O ATOM 344 OE2 GLU A 22 -0.830 -5.157 8.149 1.00 0.00 O ATOM 0 H GLU A 22 -5.034 -6.708 10.055 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.850 -4.997 7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.938 -7.361 7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.977 -6.053 6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.191 -4.456 8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.410 -5.594 9.689 1.00 0.00 H new ATOM 351 N LEU A 23 -6.776 -6.734 6.182 1.00 0.00 N ATOM 352 CA LEU A 23 -7.669 -7.582 5.403 1.00 0.00 C ATOM 353 C LEU A 23 -6.961 -8.123 4.165 1.00 0.00 C ATOM 354 O LEU A 23 -6.454 -7.355 3.346 1.00 0.00 O ATOM 355 CB LEU A 23 -8.918 -6.795 4.992 1.00 0.00 C ATOM 356 CG LEU A 23 -9.946 -7.577 4.173 1.00 0.00 C ATOM 357 CD1 LEU A 23 -10.509 -8.732 4.982 1.00 0.00 C ATOM 358 CD2 LEU A 23 -11.066 -6.661 3.711 1.00 0.00 C ATOM 0 H LEU A 23 -6.375 -5.954 5.662 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.968 -8.426 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.404 -6.422 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.605 -5.925 4.415 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.445 -7.984 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.238 -9.275 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.700 -9.405 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.993 -8.346 5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.788 -7.234 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.562 -6.226 4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.653 -5.864 3.092 1.00 0.00 H new ATOM 370 N THR A 24 -6.915 -9.444 4.047 1.00 0.00 N ATOM 371 CA THR A 24 -6.323 -10.090 2.884 1.00 0.00 C ATOM 372 C THR A 24 -7.225 -9.913 1.665 1.00 0.00 C ATOM 373 O THR A 24 -8.315 -10.486 1.594 1.00 0.00 O ATOM 374 CB THR A 24 -6.091 -11.593 3.144 1.00 0.00 C ATOM 375 OG1 THR A 24 -5.375 -11.767 4.375 1.00 0.00 O ATOM 376 CG2 THR A 24 -5.305 -12.228 2.003 1.00 0.00 C ATOM 0 H THR A 24 -7.282 -10.090 4.745 1.00 0.00 H new ATOM 0 HA THR A 24 -5.359 -9.618 2.692 1.00 0.00 H new ATOM 0 HB THR A 24 -7.062 -12.083 3.210 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.231 -12.723 4.537 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.155 -13.287 2.210 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.860 -12.116 1.072 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.337 -11.736 1.910 1.00 0.00 H new ATOM 384 N ILE A 25 -6.769 -9.114 0.710 1.00 0.00 N ATOM 385 CA ILE A 25 -7.578 -8.771 -0.450 1.00 0.00 C ATOM 386 C ILE A 25 -6.905 -9.214 -1.744 1.00 0.00 C ATOM 387 O ILE A 25 -5.765 -8.842 -2.030 1.00 0.00 O ATOM 388 CB ILE A 25 -7.871 -7.253 -0.500 1.00 0.00 C ATOM 389 CG1 ILE A 25 -6.571 -6.444 -0.415 1.00 0.00 C ATOM 390 CG2 ILE A 25 -8.809 -6.863 0.631 1.00 0.00 C ATOM 391 CD1 ILE A 25 -6.779 -4.942 -0.385 1.00 0.00 C ATOM 0 H ILE A 25 -5.841 -8.691 0.717 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.524 -9.304 -0.352 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.352 -7.027 -1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.027 -6.743 0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.942 -6.696 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.008 -5.792 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.746 -7.411 0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.346 -7.106 1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.812 -4.442 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.294 -4.628 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.380 -4.675 0.484 1.00 0.00 H new ATOM 403 N LYS A 26 -7.614 -10.020 -2.521 1.00 0.00 N ATOM 404 CA LYS A 26 -7.094 -10.501 -3.792 1.00 0.00 C ATOM 405 C LYS A 26 -7.347 -9.478 -4.889 1.00 0.00 C ATOM 406 O LYS A 26 -8.369 -8.791 -4.889 1.00 0.00 O ATOM 407 CB LYS A 26 -7.728 -11.848 -4.165 1.00 0.00 C ATOM 408 CG LYS A 26 -9.247 -11.837 -4.137 1.00 0.00 C ATOM 409 CD LYS A 26 -9.856 -13.096 -4.746 1.00 0.00 C ATOM 410 CE LYS A 26 -9.489 -14.364 -3.982 1.00 0.00 C ATOM 411 NZ LYS A 26 -8.163 -14.908 -4.387 1.00 0.00 N ATOM 0 H LYS A 26 -8.550 -10.354 -2.293 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.019 -10.645 -3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.394 -12.133 -5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.366 -12.613 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.587 -11.736 -3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.610 -10.964 -4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.941 -12.994 -4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.522 -13.191 -5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.480 -14.151 -2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.256 -15.121 -4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.254 -15.922 -4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.826 -14.406 -5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.482 -14.776 -3.612 1.00 0.00 H new ATOM 425 N SER A 27 -6.402 -9.382 -5.811 1.00 0.00 N ATOM 426 CA SER A 27 -6.477 -8.433 -6.913 1.00 0.00 C ATOM 427 C SER A 27 -7.768 -8.608 -7.717 1.00 0.00 C ATOM 428 O SER A 27 -8.123 -9.721 -8.117 1.00 0.00 O ATOM 429 CB SER A 27 -5.255 -8.609 -7.823 1.00 0.00 C ATOM 430 OG SER A 27 -5.283 -7.716 -8.926 1.00 0.00 O ATOM 0 H SER A 27 -5.561 -9.959 -5.817 1.00 0.00 H new ATOM 0 HA SER A 27 -6.483 -7.425 -6.499 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.346 -8.444 -7.245 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.219 -9.635 -8.188 1.00 0.00 H new ATOM 0 HG SER A 27 -5.475 -6.809 -8.608 1.00 0.00 H new ATOM 436 N GLY A 28 -8.485 -7.507 -7.916 1.00 0.00 N ATOM 437 CA GLY A 28 -9.649 -7.523 -8.775 1.00 0.00 C ATOM 438 C GLY A 28 -10.926 -7.917 -8.060 1.00 0.00 C ATOM 439 O GLY A 28 -11.937 -8.194 -8.709 1.00 0.00 O ATOM 0 H GLY A 28 -8.278 -6.602 -7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.779 -6.534 -9.215 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.474 -8.217 -9.597 1.00 0.00 H new ATOM 443 N ASP A 29 -10.899 -7.957 -6.732 1.00 0.00 N ATOM 444 CA ASP A 29 -12.082 -8.345 -5.971 1.00 0.00 C ATOM 445 C ASP A 29 -13.001 -7.141 -5.747 1.00 0.00 C ATOM 446 O ASP A 29 -12.712 -6.031 -6.198 1.00 0.00 O ATOM 447 CB ASP A 29 -11.692 -8.970 -4.626 1.00 0.00 C ATOM 448 CG ASP A 29 -12.770 -9.898 -4.099 1.00 0.00 C ATOM 449 OD1 ASP A 29 -12.758 -11.093 -4.466 1.00 0.00 O ATOM 450 OD2 ASP A 29 -13.647 -9.435 -3.345 1.00 0.00 O ATOM 0 H ASP A 29 -10.082 -7.729 -6.166 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.621 -9.093 -6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.760 -9.524 -4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.506 -8.180 -3.899 1.00 0.00 H new ATOM 455 N LYS A 30 -14.097 -7.368 -5.038 1.00 0.00 N ATOM 456 CA LYS A 30 -15.120 -6.354 -4.822 1.00 0.00 C ATOM 457 C LYS A 30 -15.166 -5.976 -3.348 1.00 0.00 C ATOM 458 O LYS A 30 -15.447 -6.825 -2.498 1.00 0.00 O ATOM 459 CB LYS A 30 -16.485 -6.901 -5.257 1.00 0.00 C ATOM 460 CG LYS A 30 -16.523 -7.388 -6.700 1.00 0.00 C ATOM 461 CD LYS A 30 -16.736 -6.242 -7.677 1.00 0.00 C ATOM 462 CE LYS A 30 -18.146 -5.684 -7.560 1.00 0.00 C ATOM 463 NZ LYS A 30 -18.412 -4.610 -8.550 1.00 0.00 N ATOM 0 H LYS A 30 -14.303 -8.263 -4.595 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.880 -5.469 -5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.762 -7.724 -4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -17.236 -6.122 -5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.589 -7.898 -6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.324 -8.118 -6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.011 -5.452 -7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.562 -6.590 -8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.866 -6.490 -7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.297 -5.293 -6.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.385 -4.262 -8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.743 -3.827 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.295 -4.988 -9.512 1.00 0.00 H new ATOM 477 N VAL A 31 -14.895 -4.717 -3.030 1.00 0.00 N ATOM 478 CA VAL A 31 -14.854 -4.301 -1.634 1.00 0.00 C ATOM 479 C VAL A 31 -15.745 -3.095 -1.360 1.00 0.00 C ATOM 480 O VAL A 31 -15.861 -2.182 -2.181 1.00 0.00 O ATOM 481 CB VAL A 31 -13.414 -3.987 -1.162 1.00 0.00 C ATOM 482 CG1 VAL A 31 -12.561 -5.246 -1.146 1.00 0.00 C ATOM 483 CG2 VAL A 31 -12.769 -2.921 -2.038 1.00 0.00 C ATOM 0 H VAL A 31 -14.703 -3.978 -3.706 1.00 0.00 H new ATOM 0 HA VAL A 31 -15.235 -5.150 -1.067 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.477 -3.600 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.554 -4.999 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.001 -5.975 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.516 -5.668 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.758 -2.721 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.728 -3.273 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.358 -2.005 -1.990 1.00 0.00 H new ATOM 493 N TYR A 32 -16.396 -3.122 -0.203 1.00 0.00 N ATOM 494 CA TYR A 32 -17.122 -1.968 0.298 1.00 0.00 C ATOM 495 C TYR A 32 -16.155 -1.032 0.991 1.00 0.00 C ATOM 496 O TYR A 32 -15.216 -1.482 1.646 1.00 0.00 O ATOM 497 CB TYR A 32 -18.208 -2.382 1.294 1.00 0.00 C ATOM 498 CG TYR A 32 -19.397 -3.072 0.675 1.00 0.00 C ATOM 499 CD1 TYR A 32 -20.158 -2.435 -0.293 1.00 0.00 C ATOM 500 CD2 TYR A 32 -19.771 -4.348 1.070 1.00 0.00 C ATOM 501 CE1 TYR A 32 -21.258 -3.049 -0.851 1.00 0.00 C ATOM 502 CE2 TYR A 32 -20.872 -4.972 0.515 1.00 0.00 C ATOM 503 CZ TYR A 32 -21.613 -4.317 -0.446 1.00 0.00 C ATOM 504 OH TYR A 32 -22.712 -4.932 -1.002 1.00 0.00 O ATOM 0 H TYR A 32 -16.434 -3.938 0.407 1.00 0.00 H new ATOM 0 HA TYR A 32 -17.598 -1.473 -0.549 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -17.767 -3.045 2.038 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -18.555 -1.494 1.823 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -19.884 -1.441 -0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -19.192 -4.862 1.823 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -21.840 -2.538 -1.604 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -21.150 -5.966 0.832 1.00 0.00 H new ATOM 0 HH TYR A 32 -22.823 -5.822 -0.607 1.00 0.00 H new ATOM 514 N ILE A 33 -16.382 0.258 0.859 1.00 0.00 N ATOM 515 CA ILE A 33 -15.542 1.240 1.514 1.00 0.00 C ATOM 516 C ILE A 33 -16.274 1.832 2.707 1.00 0.00 C ATOM 517 O ILE A 33 -17.241 2.581 2.555 1.00 0.00 O ATOM 518 CB ILE A 33 -15.115 2.367 0.555 1.00 0.00 C ATOM 519 CG1 ILE A 33 -14.400 1.776 -0.661 1.00 0.00 C ATOM 520 CG2 ILE A 33 -14.212 3.360 1.274 1.00 0.00 C ATOM 521 CD1 ILE A 33 -13.967 2.812 -1.673 1.00 0.00 C ATOM 0 H ILE A 33 -17.142 0.652 0.304 1.00 0.00 H new ATOM 0 HA ILE A 33 -14.639 0.729 1.848 1.00 0.00 H new ATOM 0 HB ILE A 33 -16.005 2.896 0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.524 1.223 -0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -15.062 1.059 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.918 4.151 0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -14.748 3.795 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.322 2.846 1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -13.467 2.319 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -14.841 3.350 -2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -13.280 3.515 -1.203 1.00 0.00 H new ATOM 533 N LEU A 34 -15.810 1.469 3.891 1.00 0.00 N ATOM 534 CA LEU A 34 -16.434 1.901 5.128 1.00 0.00 C ATOM 535 C LEU A 34 -15.943 3.293 5.492 1.00 0.00 C ATOM 536 O LEU A 34 -16.708 4.256 5.495 1.00 0.00 O ATOM 537 CB LEU A 34 -16.116 0.921 6.268 1.00 0.00 C ATOM 538 CG LEU A 34 -16.677 -0.503 6.123 1.00 0.00 C ATOM 539 CD1 LEU A 34 -18.180 -0.472 5.901 1.00 0.00 C ATOM 540 CD2 LEU A 34 -15.988 -1.261 5.002 1.00 0.00 C ATOM 0 H LEU A 34 -14.995 0.870 4.021 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.514 1.923 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -15.033 0.853 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.495 1.344 7.198 1.00 0.00 H new ATOM 0 HG LEU A 34 -16.476 -1.031 7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.554 -1.491 5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.663 0.011 6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.402 0.087 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -16.409 -2.263 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -16.138 -0.734 4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -14.921 -1.331 5.212 1.00 0.00 H new ATOM 552 N ASP A 35 -14.657 3.390 5.797 1.00 0.00 N ATOM 553 CA ASP A 35 -14.045 4.669 6.109 1.00 0.00 C ATOM 554 C ASP A 35 -12.714 4.792 5.372 1.00 0.00 C ATOM 555 O ASP A 35 -11.750 4.087 5.690 1.00 0.00 O ATOM 556 CB ASP A 35 -13.837 4.790 7.621 1.00 0.00 C ATOM 557 CG ASP A 35 -13.575 6.211 8.068 1.00 0.00 C ATOM 558 OD1 ASP A 35 -12.659 6.851 7.528 1.00 0.00 O ATOM 559 OD2 ASP A 35 -14.268 6.682 8.997 1.00 0.00 O ATOM 0 H ASP A 35 -14.018 2.596 5.834 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.701 5.477 5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.719 4.410 8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.998 4.161 7.919 1.00 0.00 H new ATOM 564 N ASP A 36 -12.674 5.673 4.381 1.00 0.00 N ATOM 565 CA ASP A 36 -11.495 5.838 3.529 1.00 0.00 C ATOM 566 C ASP A 36 -10.622 6.999 3.988 1.00 0.00 C ATOM 567 O ASP A 36 -9.829 7.543 3.218 1.00 0.00 O ATOM 568 CB ASP A 36 -11.909 6.038 2.064 1.00 0.00 C ATOM 569 CG ASP A 36 -13.114 6.944 1.894 1.00 0.00 C ATOM 570 OD1 ASP A 36 -13.249 7.931 2.642 1.00 0.00 O ATOM 571 OD2 ASP A 36 -13.959 6.649 1.025 1.00 0.00 O ATOM 0 H ASP A 36 -13.450 6.291 4.143 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.907 4.924 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.068 6.457 1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.129 5.067 1.621 1.00 0.00 H new ATOM 576 N LYS A 37 -10.756 7.362 5.252 1.00 0.00 N ATOM 577 CA LYS A 37 -9.921 8.392 5.849 1.00 0.00 C ATOM 578 C LYS A 37 -9.713 8.077 7.319 1.00 0.00 C ATOM 579 O LYS A 37 -9.357 8.939 8.124 1.00 0.00 O ATOM 580 CB LYS A 37 -10.564 9.767 5.666 1.00 0.00 C ATOM 581 CG LYS A 37 -11.990 9.863 6.183 1.00 0.00 C ATOM 582 CD LYS A 37 -12.586 11.228 5.891 1.00 0.00 C ATOM 583 CE LYS A 37 -14.036 11.313 6.331 1.00 0.00 C ATOM 584 NZ LYS A 37 -14.623 12.639 6.017 1.00 0.00 N ATOM 0 H LYS A 37 -11.441 6.955 5.890 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.951 8.411 5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.954 10.512 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.556 10.021 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.601 9.089 5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.004 9.679 7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.005 11.996 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.517 11.434 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.614 10.532 5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.103 11.129 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.614 12.663 6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.086 13.382 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.581 12.803 4.991 1.00 0.00 H new ATOM 598 N LYS A 38 -9.901 6.806 7.637 1.00 0.00 N ATOM 599 CA LYS A 38 -9.888 6.330 9.006 1.00 0.00 C ATOM 600 C LYS A 38 -8.511 6.483 9.632 1.00 0.00 C ATOM 601 O LYS A 38 -8.376 7.023 10.728 1.00 0.00 O ATOM 602 CB LYS A 38 -10.323 4.865 9.022 1.00 0.00 C ATOM 603 CG LYS A 38 -10.494 4.260 10.404 1.00 0.00 C ATOM 604 CD LYS A 38 -11.808 4.661 11.077 1.00 0.00 C ATOM 605 CE LYS A 38 -11.771 6.066 11.672 1.00 0.00 C ATOM 606 NZ LYS A 38 -12.306 7.107 10.743 1.00 0.00 N ATOM 0 H LYS A 38 -10.068 6.074 6.947 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.581 6.929 9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.267 4.776 8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.587 4.277 8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.449 3.174 10.326 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.661 4.569 11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.616 4.603 10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.039 3.945 11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.350 6.079 12.596 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.743 6.316 11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.178 8.048 11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.794 7.061 9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.318 6.937 10.577 1.00 0.00 H new ATOM 620 N SER A 39 -7.492 6.021 8.931 1.00 0.00 N ATOM 621 CA SER A 39 -6.131 6.151 9.413 1.00 0.00 C ATOM 622 C SER A 39 -5.256 6.790 8.344 1.00 0.00 C ATOM 623 O SER A 39 -4.029 6.721 8.413 1.00 0.00 O ATOM 624 CB SER A 39 -5.589 4.779 9.805 1.00 0.00 C ATOM 625 OG SER A 39 -6.441 4.150 10.752 1.00 0.00 O ATOM 0 H SER A 39 -7.581 5.554 8.029 1.00 0.00 H new ATOM 0 HA SER A 39 -6.121 6.794 10.293 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.499 4.152 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.588 4.885 10.224 1.00 0.00 H new ATOM 0 HG SER A 39 -6.076 3.272 10.988 1.00 0.00 H new ATOM 631 N LYS A 40 -5.913 7.421 7.363 1.00 0.00 N ATOM 632 CA LYS A 40 -5.242 8.106 6.251 1.00 0.00 C ATOM 633 C LYS A 40 -4.519 7.123 5.334 1.00 0.00 C ATOM 634 O LYS A 40 -4.884 6.968 4.171 1.00 0.00 O ATOM 635 CB LYS A 40 -4.270 9.182 6.770 1.00 0.00 C ATOM 636 CG LYS A 40 -3.406 9.817 5.686 1.00 0.00 C ATOM 637 CD LYS A 40 -2.679 11.056 6.193 1.00 0.00 C ATOM 638 CE LYS A 40 -1.769 10.751 7.376 1.00 0.00 C ATOM 639 NZ LYS A 40 -0.596 9.915 7.002 1.00 0.00 N ATOM 0 H LYS A 40 -6.931 7.471 7.318 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.016 8.598 5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.843 9.964 7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.620 8.736 7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.677 9.089 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.031 10.086 4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.087 11.484 5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.411 11.809 6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.418 11.688 7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.343 10.238 8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.104 9.935 7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.905 8.935 6.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.165 10.290 6.133 1.00 0.00 H new ATOM 653 N ASP A 41 -3.506 6.463 5.868 1.00 0.00 N ATOM 654 CA ASP A 41 -2.696 5.527 5.103 1.00 0.00 C ATOM 655 C ASP A 41 -3.425 4.200 4.945 1.00 0.00 C ATOM 656 O ASP A 41 -3.253 3.488 3.953 1.00 0.00 O ATOM 657 CB ASP A 41 -1.352 5.311 5.806 1.00 0.00 C ATOM 658 CG ASP A 41 -0.605 6.610 6.043 1.00 0.00 C ATOM 659 OD1 ASP A 41 -0.954 7.333 7.007 1.00 0.00 O ATOM 660 OD2 ASP A 41 0.320 6.925 5.264 1.00 0.00 O ATOM 0 H ASP A 41 -3.221 6.560 6.843 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.518 5.943 4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.521 4.813 6.761 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.734 4.645 5.204 1.00 0.00 H new ATOM 665 N TRP A 42 -4.249 3.882 5.933 1.00 0.00 N ATOM 666 CA TRP A 42 -5.010 2.643 5.937 1.00 0.00 C ATOM 667 C TRP A 42 -6.501 2.937 6.019 1.00 0.00 C ATOM 668 O TRP A 42 -6.934 3.796 6.793 1.00 0.00 O ATOM 669 CB TRP A 42 -4.572 1.759 7.106 1.00 0.00 C ATOM 670 CG TRP A 42 -3.164 1.264 6.966 1.00 0.00 C ATOM 671 CD1 TRP A 42 -2.017 1.964 7.210 1.00 0.00 C ATOM 672 CD2 TRP A 42 -2.754 -0.041 6.545 1.00 0.00 C ATOM 673 NE1 TRP A 42 -0.923 1.175 6.967 1.00 0.00 N ATOM 674 CE2 TRP A 42 -1.348 -0.061 6.558 1.00 0.00 C ATOM 675 CE3 TRP A 42 -3.443 -1.195 6.159 1.00 0.00 C ATOM 676 CZ2 TRP A 42 -0.617 -1.188 6.195 1.00 0.00 C ATOM 677 CZ3 TRP A 42 -2.716 -2.315 5.801 1.00 0.00 C ATOM 678 CH2 TRP A 42 -1.316 -2.304 5.824 1.00 0.00 C ATOM 0 H TRP A 42 -4.408 4.472 6.750 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.816 2.110 5.006 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.663 2.322 8.035 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.246 0.906 7.183 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.978 2.990 7.546 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.050 1.462 7.074 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.523 -1.211 6.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.463 -1.182 6.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.236 -3.212 5.499 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.776 -3.196 5.543 1.00 0.00 H new ATOM 689 N TRP A 43 -7.278 2.235 5.205 1.00 0.00 N ATOM 690 CA TRP A 43 -8.716 2.455 5.128 1.00 0.00 C ATOM 691 C TRP A 43 -9.479 1.230 5.612 1.00 0.00 C ATOM 692 O TRP A 43 -8.908 0.153 5.761 1.00 0.00 O ATOM 693 CB TRP A 43 -9.143 2.752 3.689 1.00 0.00 C ATOM 694 CG TRP A 43 -8.497 3.953 3.074 1.00 0.00 C ATOM 695 CD1 TRP A 43 -7.722 4.891 3.695 1.00 0.00 C ATOM 696 CD2 TRP A 43 -8.590 4.350 1.706 1.00 0.00 C ATOM 697 NE1 TRP A 43 -7.322 5.842 2.791 1.00 0.00 N ATOM 698 CE2 TRP A 43 -7.846 5.536 1.562 1.00 0.00 C ATOM 699 CE3 TRP A 43 -9.234 3.815 0.589 1.00 0.00 C ATOM 700 CZ2 TRP A 43 -7.729 6.191 0.339 1.00 0.00 C ATOM 701 CZ3 TRP A 43 -9.118 4.464 -0.619 1.00 0.00 C ATOM 702 CH2 TRP A 43 -8.372 5.643 -0.738 1.00 0.00 C ATOM 0 H TRP A 43 -6.933 1.503 4.584 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.948 3.308 5.766 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.919 1.882 3.072 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.224 2.888 3.667 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.462 4.885 4.743 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.731 6.646 3.000 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.813 2.907 0.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -7.152 7.099 0.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.611 4.057 -1.490 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.303 6.130 -1.699 1.00 0.00 H new ATOM 713 N MET A 44 -10.775 1.402 5.837 1.00 0.00 N ATOM 714 CA MET A 44 -11.648 0.294 6.207 1.00 0.00 C ATOM 715 C MET A 44 -12.381 -0.205 4.977 1.00 0.00 C ATOM 716 O MET A 44 -13.131 0.547 4.352 1.00 0.00 O ATOM 717 CB MET A 44 -12.694 0.733 7.232 1.00 0.00 C ATOM 718 CG MET A 44 -12.128 1.378 8.481 1.00 0.00 C ATOM 719 SD MET A 44 -11.421 0.182 9.632 1.00 0.00 S ATOM 720 CE MET A 44 -12.854 -0.836 9.992 1.00 0.00 C ATOM 0 H MET A 44 -11.248 2.303 5.769 1.00 0.00 H new ATOM 0 HA MET A 44 -11.026 -0.491 6.638 1.00 0.00 H new ATOM 0 HB2 MET A 44 -13.377 1.436 6.755 1.00 0.00 H new ATOM 0 HB3 MET A 44 -13.283 -0.136 7.524 1.00 0.00 H new ATOM 0 HG2 MET A 44 -11.360 2.098 8.196 1.00 0.00 H new ATOM 0 HG3 MET A 44 -12.917 1.936 8.985 1.00 0.00 H new ATOM 0 HE1 MET A 44 -12.852 -1.106 11.048 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.763 -0.280 9.761 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.819 -1.741 9.386 1.00 0.00 H new ATOM 730 N CYS A 45 -12.173 -1.456 4.619 1.00 0.00 N ATOM 731 CA CYS A 45 -12.894 -2.034 3.501 1.00 0.00 C ATOM 732 C CYS A 45 -13.399 -3.424 3.843 1.00 0.00 C ATOM 733 O CYS A 45 -12.886 -4.077 4.752 1.00 0.00 O ATOM 734 CB CYS A 45 -12.022 -2.060 2.243 1.00 0.00 C ATOM 735 SG CYS A 45 -11.623 -0.415 1.599 1.00 0.00 S ATOM 0 H CYS A 45 -11.518 -2.087 5.080 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.759 -1.404 3.295 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -11.095 -2.588 2.465 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -12.535 -2.629 1.468 1.00 0.00 H new ATOM 0 HG CYS A 45 -12.098 0.492 2.400 1.00 0.00 H new ATOM 741 N GLN A 46 -14.426 -3.854 3.127 1.00 0.00 N ATOM 742 CA GLN A 46 -15.072 -5.126 3.393 1.00 0.00 C ATOM 743 C GLN A 46 -15.265 -5.918 2.107 1.00 0.00 C ATOM 744 O GLN A 46 -15.796 -5.397 1.128 1.00 0.00 O ATOM 745 CB GLN A 46 -16.430 -4.884 4.057 1.00 0.00 C ATOM 746 CG GLN A 46 -17.227 -6.153 4.306 1.00 0.00 C ATOM 747 CD GLN A 46 -18.606 -5.882 4.878 1.00 0.00 C ATOM 748 OE1 GLN A 46 -19.556 -6.748 4.550 1.00 0.00 O flip ATOM 749 NE2 GLN A 46 -18.819 -4.905 5.598 1.00 0.00 N flip ATOM 0 H GLN A 46 -14.832 -3.333 2.350 1.00 0.00 H new ATOM 0 HA GLN A 46 -14.433 -5.704 4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -16.273 -4.373 5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.017 -4.215 3.428 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -17.329 -6.701 3.370 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.674 -6.794 4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -18.059 -4.264 5.826 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -19.755 -4.738 5.967 1.00 0.00 H new ATOM 758 N LEU A 47 -14.830 -7.171 2.114 1.00 0.00 N ATOM 759 CA LEU A 47 -15.066 -8.066 0.990 1.00 0.00 C ATOM 760 C LEU A 47 -16.562 -8.323 0.863 1.00 0.00 C ATOM 761 O LEU A 47 -17.178 -8.855 1.789 1.00 0.00 O ATOM 762 CB LEU A 47 -14.321 -9.393 1.185 1.00 0.00 C ATOM 763 CG LEU A 47 -12.792 -9.294 1.227 1.00 0.00 C ATOM 764 CD1 LEU A 47 -12.183 -10.651 1.548 1.00 0.00 C ATOM 765 CD2 LEU A 47 -12.248 -8.765 -0.096 1.00 0.00 C ATOM 0 H LEU A 47 -14.312 -7.590 2.886 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.692 -7.598 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -14.663 -9.848 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.601 -10.069 0.377 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.515 -8.593 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.097 -10.565 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.544 -10.991 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.472 -11.370 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.161 -8.703 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.534 -9.439 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -12.659 -7.774 -0.288 1.00 0.00 H new ATOM 777 N VAL A 48 -17.136 -7.939 -0.271 1.00 0.00 N ATOM 778 CA VAL A 48 -18.580 -8.017 -0.476 1.00 0.00 C ATOM 779 C VAL A 48 -19.104 -9.443 -0.304 1.00 0.00 C ATOM 780 O VAL A 48 -20.167 -9.655 0.283 1.00 0.00 O ATOM 781 CB VAL A 48 -18.967 -7.495 -1.879 1.00 0.00 C ATOM 782 CG1 VAL A 48 -20.463 -7.626 -2.121 1.00 0.00 C ATOM 783 CG2 VAL A 48 -18.525 -6.050 -2.054 1.00 0.00 C ATOM 0 H VAL A 48 -16.620 -7.568 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 48 -19.040 -7.387 0.285 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.451 -8.109 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -20.705 -7.251 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -20.753 -8.674 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -21.005 -7.047 -1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -18.806 -5.701 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -19.008 -5.428 -1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -17.443 -5.984 -1.939 1.00 0.00 H new ATOM 793 N ASP A 49 -18.346 -10.415 -0.793 1.00 0.00 N ATOM 794 CA ASP A 49 -18.793 -11.805 -0.802 1.00 0.00 C ATOM 795 C ASP A 49 -18.849 -12.402 0.605 1.00 0.00 C ATOM 796 O ASP A 49 -19.888 -12.907 1.036 1.00 0.00 O ATOM 797 CB ASP A 49 -17.869 -12.649 -1.680 1.00 0.00 C ATOM 798 CG ASP A 49 -18.318 -14.093 -1.780 1.00 0.00 C ATOM 799 OD1 ASP A 49 -19.235 -14.377 -2.576 1.00 0.00 O ATOM 800 OD2 ASP A 49 -17.734 -14.953 -1.081 1.00 0.00 O ATOM 0 H ASP A 49 -17.418 -10.268 -1.189 1.00 0.00 H new ATOM 0 HA ASP A 49 -19.804 -11.816 -1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.827 -12.215 -2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.858 -12.614 -1.275 1.00 0.00 H new ATOM 805 N SER A 50 -17.736 -12.337 1.318 1.00 0.00 N ATOM 806 CA SER A 50 -17.619 -13.024 2.599 1.00 0.00 C ATOM 807 C SER A 50 -18.062 -12.134 3.763 1.00 0.00 C ATOM 808 O SER A 50 -18.525 -12.630 4.790 1.00 0.00 O ATOM 809 CB SER A 50 -16.176 -13.498 2.807 1.00 0.00 C ATOM 810 OG SER A 50 -16.080 -14.384 3.906 1.00 0.00 O ATOM 0 H SER A 50 -16.904 -11.819 1.036 1.00 0.00 H new ATOM 0 HA SER A 50 -18.283 -13.888 2.578 1.00 0.00 H new ATOM 0 HB2 SER A 50 -15.820 -13.995 1.904 1.00 0.00 H new ATOM 0 HB3 SER A 50 -15.528 -12.637 2.973 1.00 0.00 H new ATOM 0 HG SER A 50 -15.738 -15.250 3.599 1.00 0.00 H new ATOM 816 N GLY A 51 -17.931 -10.823 3.602 1.00 0.00 N ATOM 817 CA GLY A 51 -18.282 -9.911 4.677 1.00 0.00 C ATOM 818 C GLY A 51 -17.081 -9.530 5.521 1.00 0.00 C ATOM 819 O GLY A 51 -17.201 -8.765 6.478 1.00 0.00 O ATOM 0 H GLY A 51 -17.590 -10.375 2.751 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.728 -9.010 4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -19.038 -10.374 5.312 1.00 0.00 H new ATOM 823 N LYS A 52 -15.920 -10.059 5.158 1.00 0.00 N ATOM 824 CA LYS A 52 -14.684 -9.779 5.879 1.00 0.00 C ATOM 825 C LYS A 52 -14.280 -8.319 5.715 1.00 0.00 C ATOM 826 O LYS A 52 -14.076 -7.847 4.600 1.00 0.00 O ATOM 827 CB LYS A 52 -13.558 -10.683 5.377 1.00 0.00 C ATOM 828 CG LYS A 52 -13.835 -12.163 5.555 1.00 0.00 C ATOM 829 CD LYS A 52 -12.686 -13.003 5.022 1.00 0.00 C ATOM 830 CE LYS A 52 -12.953 -14.489 5.184 1.00 0.00 C ATOM 831 NZ LYS A 52 -11.833 -15.310 4.657 1.00 0.00 N ATOM 0 H LYS A 52 -15.808 -10.688 4.363 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.859 -9.978 6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.386 -10.480 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.639 -10.429 5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.990 -12.382 6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.756 -12.429 5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.527 -12.775 3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.768 -12.739 5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.107 -14.718 6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.873 -14.752 4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.052 -16.319 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.702 -15.110 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.960 -15.077 5.172 1.00 0.00 H new ATOM 845 N SER A 53 -14.175 -7.610 6.824 1.00 0.00 N ATOM 846 CA SER A 53 -13.787 -6.210 6.804 1.00 0.00 C ATOM 847 C SER A 53 -12.507 -5.990 7.602 1.00 0.00 C ATOM 848 O SER A 53 -12.246 -6.702 8.574 1.00 0.00 O ATOM 849 CB SER A 53 -14.925 -5.359 7.362 1.00 0.00 C ATOM 850 OG SER A 53 -15.499 -5.971 8.505 1.00 0.00 O ATOM 0 H SER A 53 -14.354 -7.983 7.756 1.00 0.00 H new ATOM 0 HA SER A 53 -13.590 -5.911 5.774 1.00 0.00 H new ATOM 0 HB2 SER A 53 -14.550 -4.369 7.624 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.689 -5.219 6.597 1.00 0.00 H new ATOM 0 HG SER A 53 -16.225 -5.409 8.848 1.00 0.00 H new ATOM 856 N GLY A 54 -11.711 -5.010 7.189 1.00 0.00 N ATOM 857 CA GLY A 54 -10.460 -4.739 7.866 1.00 0.00 C ATOM 858 C GLY A 54 -9.724 -3.561 7.265 1.00 0.00 C ATOM 859 O GLY A 54 -10.271 -2.848 6.418 1.00 0.00 O ATOM 0 H GLY A 54 -11.911 -4.399 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.655 -4.543 8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.825 -5.624 7.819 1.00 0.00 H new ATOM 863 N LEU A 55 -8.485 -3.361 7.699 1.00 0.00 N ATOM 864 CA LEU A 55 -7.664 -2.259 7.222 1.00 0.00 C ATOM 865 C LEU A 55 -6.941 -2.649 5.943 1.00 0.00 C ATOM 866 O LEU A 55 -6.346 -3.725 5.854 1.00 0.00 O ATOM 867 CB LEU A 55 -6.642 -1.826 8.285 1.00 0.00 C ATOM 868 CG LEU A 55 -7.175 -0.941 9.424 1.00 0.00 C ATOM 869 CD1 LEU A 55 -7.831 0.312 8.867 1.00 0.00 C ATOM 870 CD2 LEU A 55 -8.150 -1.707 10.311 1.00 0.00 C ATOM 0 H LEU A 55 -8.025 -3.956 8.388 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.326 -1.418 7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.205 -2.723 8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.835 -1.291 7.785 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.326 -0.644 10.040 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.202 0.925 9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.100 0.880 8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.662 0.031 8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.509 -1.054 11.106 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.995 -2.048 9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.644 -2.568 10.749 1.00 0.00 H new ATOM 882 N VAL A 56 -7.012 -1.773 4.952 1.00 0.00 N ATOM 883 CA VAL A 56 -6.344 -1.985 3.676 1.00 0.00 C ATOM 884 C VAL A 56 -5.555 -0.739 3.283 1.00 0.00 C ATOM 885 O VAL A 56 -5.886 0.368 3.709 1.00 0.00 O ATOM 886 CB VAL A 56 -7.353 -2.323 2.553 1.00 0.00 C ATOM 887 CG1 VAL A 56 -8.084 -3.621 2.854 1.00 0.00 C ATOM 888 CG2 VAL A 56 -8.346 -1.188 2.360 1.00 0.00 C ATOM 0 H VAL A 56 -7.533 -0.898 5.009 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.668 -2.831 3.798 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.793 -2.452 1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.788 -3.837 2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.363 -4.435 2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.626 -3.523 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.046 -1.448 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.895 -1.023 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.810 -0.278 2.089 1.00 0.00 H new ATOM 898 N PRO A 57 -4.489 -0.905 2.489 1.00 0.00 N ATOM 899 CA PRO A 57 -3.680 0.220 2.012 1.00 0.00 C ATOM 900 C PRO A 57 -4.457 1.115 1.046 1.00 0.00 C ATOM 901 O PRO A 57 -5.209 0.630 0.198 1.00 0.00 O ATOM 902 CB PRO A 57 -2.501 -0.450 1.295 1.00 0.00 C ATOM 903 CG PRO A 57 -2.535 -1.881 1.717 1.00 0.00 C ATOM 904 CD PRO A 57 -3.974 -2.192 2.005 1.00 0.00 C ATOM 0 HA PRO A 57 -3.372 0.873 2.828 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.597 -0.358 0.213 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.556 0.018 1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.145 -2.529 0.932 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.916 -2.042 2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.502 -2.530 1.113 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.077 -2.977 2.754 1.00 0.00 H new ATOM 912 N ALA A 58 -4.256 2.422 1.182 1.00 0.00 N ATOM 913 CA ALA A 58 -4.989 3.417 0.400 1.00 0.00 C ATOM 914 C ALA A 58 -4.847 3.215 -1.114 1.00 0.00 C ATOM 915 O ALA A 58 -5.840 3.249 -1.844 1.00 0.00 O ATOM 916 CB ALA A 58 -4.527 4.812 0.788 1.00 0.00 C ATOM 0 H ALA A 58 -3.583 2.823 1.835 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.047 3.292 0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.074 5.552 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.715 4.976 1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.460 4.910 0.589 1.00 0.00 H new ATOM 922 N GLN A 59 -3.620 2.978 -1.577 1.00 0.00 N ATOM 923 CA GLN A 59 -3.335 2.886 -3.019 1.00 0.00 C ATOM 924 C GLN A 59 -3.839 1.578 -3.631 1.00 0.00 C ATOM 925 O GLN A 59 -3.462 1.228 -4.748 1.00 0.00 O ATOM 926 CB GLN A 59 -1.827 3.002 -3.291 1.00 0.00 C ATOM 927 CG GLN A 59 -1.252 4.403 -3.133 1.00 0.00 C ATOM 928 CD GLN A 59 -1.165 4.851 -1.693 1.00 0.00 C ATOM 929 OE1 GLN A 59 -2.080 5.470 -1.167 1.00 0.00 O ATOM 930 NE2 GLN A 59 -0.055 4.534 -1.044 1.00 0.00 N ATOM 0 H GLN A 59 -2.804 2.845 -0.979 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.866 3.717 -3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.298 2.330 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.628 2.656 -4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.257 4.433 -3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.870 5.108 -3.689 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.684 4.017 -1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.061 4.807 -0.068 1.00 0.00 H new ATOM 939 N PHE A 60 -4.681 0.857 -2.915 1.00 0.00 N ATOM 940 CA PHE A 60 -5.156 -0.431 -3.394 1.00 0.00 C ATOM 941 C PHE A 60 -6.597 -0.369 -3.878 1.00 0.00 C ATOM 942 O PHE A 60 -6.996 -1.161 -4.724 1.00 0.00 O ATOM 943 CB PHE A 60 -5.024 -1.490 -2.301 1.00 0.00 C ATOM 944 CG PHE A 60 -3.638 -2.054 -2.165 1.00 0.00 C ATOM 945 CD1 PHE A 60 -2.543 -1.221 -2.005 1.00 0.00 C ATOM 946 CD2 PHE A 60 -3.434 -3.423 -2.196 1.00 0.00 C ATOM 947 CE1 PHE A 60 -1.273 -1.743 -1.877 1.00 0.00 C ATOM 948 CE2 PHE A 60 -2.164 -3.949 -2.069 1.00 0.00 C ATOM 949 CZ PHE A 60 -1.084 -3.110 -1.909 1.00 0.00 C ATOM 0 H PHE A 60 -5.049 1.137 -2.006 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.531 -0.704 -4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -5.323 -1.054 -1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.718 -2.304 -2.511 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.685 -0.151 -1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.277 -4.086 -2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.427 -1.083 -1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.018 -5.019 -2.095 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.090 -3.521 -1.809 1.00 0.00 H new ATOM 959 N ILE A 61 -7.375 0.568 -3.366 1.00 0.00 N ATOM 960 CA ILE A 61 -8.807 0.565 -3.634 1.00 0.00 C ATOM 961 C ILE A 61 -9.195 1.610 -4.680 1.00 0.00 C ATOM 962 O ILE A 61 -9.190 2.811 -4.401 1.00 0.00 O ATOM 963 CB ILE A 61 -9.620 0.808 -2.344 1.00 0.00 C ATOM 964 CG1 ILE A 61 -9.166 -0.148 -1.232 1.00 0.00 C ATOM 965 CG2 ILE A 61 -11.109 0.639 -2.612 1.00 0.00 C ATOM 966 CD1 ILE A 61 -9.302 -1.615 -1.589 1.00 0.00 C ATOM 0 H ILE A 61 -7.049 1.330 -2.772 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.045 -0.424 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.441 1.831 -2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.124 0.062 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.749 0.053 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.666 0.814 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -11.426 1.355 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.302 -0.373 -2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.961 -2.226 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -10.346 -1.842 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.696 -1.833 -2.468 1.00 0.00 H new ATOM 978 N GLU A 62 -9.539 1.142 -5.876 1.00 0.00 N ATOM 979 CA GLU A 62 -10.033 2.015 -6.939 1.00 0.00 C ATOM 980 C GLU A 62 -11.407 2.567 -6.578 1.00 0.00 C ATOM 981 O GLU A 62 -12.264 1.832 -6.090 1.00 0.00 O ATOM 982 CB GLU A 62 -10.138 1.244 -8.260 1.00 0.00 C ATOM 983 CG GLU A 62 -10.812 2.028 -9.378 1.00 0.00 C ATOM 984 CD GLU A 62 -11.192 1.161 -10.563 1.00 0.00 C ATOM 985 OE1 GLU A 62 -10.350 0.976 -11.469 1.00 0.00 O ATOM 986 OE2 GLU A 62 -12.333 0.657 -10.598 1.00 0.00 O ATOM 0 H GLU A 62 -9.485 0.157 -6.136 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.328 2.838 -7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.137 0.957 -8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.694 0.322 -8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.707 2.512 -8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.143 2.820 -9.714 1.00 0.00 H new ATOM 993 N PRO A 63 -11.627 3.874 -6.780 1.00 0.00 N ATOM 994 CA PRO A 63 -12.948 4.476 -6.654 1.00 0.00 C ATOM 995 C PRO A 63 -13.802 4.174 -7.879 1.00 0.00 C ATOM 996 O PRO A 63 -13.379 4.405 -9.011 1.00 0.00 O ATOM 997 CB PRO A 63 -12.669 5.982 -6.562 1.00 0.00 C ATOM 998 CG PRO A 63 -11.177 6.124 -6.527 1.00 0.00 C ATOM 999 CD PRO A 63 -10.616 4.873 -7.136 1.00 0.00 C ATOM 0 HA PRO A 63 -13.495 4.092 -5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.091 6.510 -7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.123 6.409 -5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.858 7.004 -7.085 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.823 6.250 -5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.496 4.964 -8.216 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.637 4.625 -6.727 1.00 0.00 H new ATOM 1007 N VAL A 64 -14.995 3.654 -7.653 1.00 0.00 N ATOM 1008 CA VAL A 64 -15.869 3.259 -8.748 1.00 0.00 C ATOM 1009 C VAL A 64 -16.695 4.424 -9.269 1.00 0.00 C ATOM 1010 O VAL A 64 -17.252 4.357 -10.362 1.00 0.00 O ATOM 1011 CB VAL A 64 -16.815 2.122 -8.332 1.00 0.00 C ATOM 1012 CG1 VAL A 64 -16.059 0.808 -8.229 1.00 0.00 C ATOM 1013 CG2 VAL A 64 -17.481 2.456 -7.012 1.00 0.00 C ATOM 0 H VAL A 64 -15.382 3.495 -6.723 1.00 0.00 H new ATOM 0 HA VAL A 64 -15.214 2.910 -9.546 1.00 0.00 H new ATOM 0 HB VAL A 64 -17.585 2.013 -9.095 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -16.746 0.015 -7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -15.619 0.565 -9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -15.269 0.900 -7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -18.149 1.644 -6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -16.720 2.587 -6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -18.054 3.378 -7.116 1.00 0.00 H new ATOM 1152 N MET B 1 20.306 0.396 -9.216 1.00 0.00 N ATOM 1153 CA MET B 1 19.077 0.575 -10.018 1.00 0.00 C ATOM 1154 C MET B 1 18.214 1.670 -9.434 1.00 0.00 C ATOM 1155 O MET B 1 18.234 1.920 -8.227 1.00 0.00 O ATOM 1156 CB MET B 1 18.256 -0.716 -10.085 1.00 0.00 C ATOM 1157 CG MET B 1 17.827 -1.252 -8.731 1.00 0.00 C ATOM 1158 SD MET B 1 16.942 -2.817 -8.861 1.00 0.00 S ATOM 1159 CE MET B 1 16.581 -3.148 -7.141 1.00 0.00 C ATOM 0 H1 MET B 1 20.844 -0.415 -9.582 1.00 0.00 H new ATOM 0 H2 MET B 1 20.889 1.255 -9.278 1.00 0.00 H new ATOM 0 H3 MET B 1 20.050 0.222 -8.223 1.00 0.00 H new ATOM 0 HA MET B 1 19.391 0.848 -11.026 1.00 0.00 H new ATOM 0 HB2 MET B 1 17.367 -0.537 -10.690 1.00 0.00 H new ATOM 0 HB3 MET B 1 18.842 -1.480 -10.596 1.00 0.00 H new ATOM 0 HG2 MET B 1 18.706 -1.386 -8.101 1.00 0.00 H new ATOM 0 HG3 MET B 1 17.190 -0.518 -8.238 1.00 0.00 H new ATOM 0 HE1 MET B 1 16.019 -4.078 -7.060 1.00 0.00 H new ATOM 0 HE2 MET B 1 17.514 -3.238 -6.584 1.00 0.00 H new ATOM 0 HE3 MET B 1 15.990 -2.330 -6.729 1.00 0.00 H new ATOM 1171 N GLN B 2 17.453 2.315 -10.295 1.00 0.00 N ATOM 1172 CA GLN B 2 16.499 3.303 -9.858 1.00 0.00 C ATOM 1173 C GLN B 2 15.223 2.614 -9.412 1.00 0.00 C ATOM 1174 O GLN B 2 14.688 1.759 -10.126 1.00 0.00 O ATOM 1175 CB GLN B 2 16.186 4.290 -10.983 1.00 0.00 C ATOM 1176 CG GLN B 2 17.382 5.107 -11.441 1.00 0.00 C ATOM 1177 CD GLN B 2 17.032 6.084 -12.549 1.00 0.00 C ATOM 1178 OE1 GLN B 2 15.795 6.556 -12.561 1.00 0.00 O flip ATOM 1179 NE2 GLN B 2 17.867 6.414 -13.390 1.00 0.00 N flip ATOM 0 H GLN B 2 17.480 2.169 -11.304 1.00 0.00 H new ATOM 0 HA GLN B 2 16.929 3.857 -9.023 1.00 0.00 H new ATOM 0 HB2 GLN B 2 15.788 3.739 -11.835 1.00 0.00 H new ATOM 0 HB3 GLN B 2 15.402 4.969 -10.648 1.00 0.00 H new ATOM 0 HG2 GLN B 2 17.788 5.657 -10.592 1.00 0.00 H new ATOM 0 HG3 GLN B 2 18.165 4.434 -11.789 1.00 0.00 H new ATOM 0 HE21 GLN B 2 18.811 6.030 -13.349 1.00 0.00 H new ATOM 0 HE22 GLN B 2 17.615 7.072 -14.128 1.00 0.00 H new ATOM 1188 N ILE B 3 14.778 2.940 -8.212 1.00 0.00 N ATOM 1189 CA ILE B 3 13.456 2.550 -7.763 1.00 0.00 C ATOM 1190 C ILE B 3 12.644 3.797 -7.466 1.00 0.00 C ATOM 1191 O ILE B 3 13.145 4.754 -6.870 1.00 0.00 O ATOM 1192 CB ILE B 3 13.478 1.632 -6.516 1.00 0.00 C ATOM 1193 CG1 ILE B 3 14.199 2.304 -5.344 1.00 0.00 C ATOM 1194 CG2 ILE B 3 14.127 0.298 -6.854 1.00 0.00 C ATOM 1195 CD1 ILE B 3 14.118 1.524 -4.049 1.00 0.00 C ATOM 0 H ILE B 3 15.315 3.475 -7.530 1.00 0.00 H new ATOM 0 HA ILE B 3 13.001 1.971 -8.567 1.00 0.00 H new ATOM 0 HB ILE B 3 12.447 1.451 -6.210 1.00 0.00 H new ATOM 0 HG12 ILE B 3 15.247 2.445 -5.607 1.00 0.00 H new ATOM 0 HG13 ILE B 3 13.773 3.295 -5.188 1.00 0.00 H new ATOM 0 HG21 ILE B 3 14.136 -0.337 -5.968 1.00 0.00 H new ATOM 0 HG22 ILE B 3 13.561 -0.192 -7.646 1.00 0.00 H new ATOM 0 HG23 ILE B 3 15.150 0.466 -7.190 1.00 0.00 H new ATOM 0 HD11 ILE B 3 14.651 2.063 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE B 3 13.074 1.405 -3.761 1.00 0.00 H new ATOM 0 HD13 ILE B 3 14.571 0.542 -4.187 1.00 0.00 H new ATOM 1207 N PHE B 4 11.408 3.801 -7.917 1.00 0.00 N ATOM 1208 CA PHE B 4 10.546 4.948 -7.729 1.00 0.00 C ATOM 1209 C PHE B 4 9.759 4.812 -6.439 1.00 0.00 C ATOM 1210 O PHE B 4 8.886 3.952 -6.317 1.00 0.00 O ATOM 1211 CB PHE B 4 9.598 5.111 -8.920 1.00 0.00 C ATOM 1212 CG PHE B 4 10.311 5.384 -10.213 1.00 0.00 C ATOM 1213 CD1 PHE B 4 10.652 6.678 -10.566 1.00 0.00 C ATOM 1214 CD2 PHE B 4 10.647 4.348 -11.071 1.00 0.00 C ATOM 1215 CE1 PHE B 4 11.314 6.936 -11.751 1.00 0.00 C ATOM 1216 CE2 PHE B 4 11.310 4.599 -12.256 1.00 0.00 C ATOM 1217 CZ PHE B 4 11.643 5.895 -12.596 1.00 0.00 C ATOM 0 H PHE B 4 10.977 3.023 -8.416 1.00 0.00 H new ATOM 0 HA PHE B 4 11.169 5.840 -7.663 1.00 0.00 H new ATOM 0 HB2 PHE B 4 9.001 4.206 -9.027 1.00 0.00 H new ATOM 0 HB3 PHE B 4 8.906 5.928 -8.715 1.00 0.00 H new ATOM 0 HD1 PHE B 4 10.398 7.496 -9.908 1.00 0.00 H new ATOM 0 HD2 PHE B 4 10.387 3.333 -10.809 1.00 0.00 H new ATOM 0 HE1 PHE B 4 11.574 7.950 -12.016 1.00 0.00 H new ATOM 0 HE2 PHE B 4 11.567 3.783 -12.915 1.00 0.00 H new ATOM 0 HZ PHE B 4 12.161 6.094 -13.523 1.00 0.00 H new ATOM 1227 N VAL B 5 10.094 5.649 -5.472 1.00 0.00 N ATOM 1228 CA VAL B 5 9.392 5.667 -4.206 1.00 0.00 C ATOM 1229 C VAL B 5 8.124 6.498 -4.346 1.00 0.00 C ATOM 1230 O VAL B 5 8.162 7.732 -4.314 1.00 0.00 O ATOM 1231 CB VAL B 5 10.265 6.235 -3.067 1.00 0.00 C ATOM 1232 CG1 VAL B 5 9.537 6.155 -1.731 1.00 0.00 C ATOM 1233 CG2 VAL B 5 11.594 5.498 -2.996 1.00 0.00 C ATOM 0 H VAL B 5 10.852 6.327 -5.543 1.00 0.00 H new ATOM 0 HA VAL B 5 9.144 4.638 -3.945 1.00 0.00 H new ATOM 0 HB VAL B 5 10.462 7.285 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL B 5 10.173 6.561 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.614 6.732 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL B 5 9.302 5.115 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL B 5 12.197 5.912 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL B 5 11.413 4.439 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL B 5 12.125 5.614 -3.941 1.00 0.00 H new ATOM 1243 N LYS B 6 7.017 5.810 -4.550 1.00 0.00 N ATOM 1244 CA LYS B 6 5.735 6.452 -4.754 1.00 0.00 C ATOM 1245 C LYS B 6 4.938 6.404 -3.456 1.00 0.00 C ATOM 1246 O LYS B 6 4.365 5.369 -3.096 1.00 0.00 O ATOM 1247 CB LYS B 6 4.997 5.745 -5.892 1.00 0.00 C ATOM 1248 CG LYS B 6 3.884 6.559 -6.521 1.00 0.00 C ATOM 1249 CD LYS B 6 3.390 5.898 -7.797 1.00 0.00 C ATOM 1250 CE LYS B 6 2.384 6.768 -8.531 1.00 0.00 C ATOM 1251 NZ LYS B 6 1.953 6.150 -9.813 1.00 0.00 N ATOM 0 H LYS B 6 6.982 4.791 -4.579 1.00 0.00 H new ATOM 0 HA LYS B 6 5.869 7.498 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS B 6 5.718 5.479 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS B 6 4.578 4.813 -5.513 1.00 0.00 H new ATOM 0 HG2 LYS B 6 3.059 6.662 -5.816 1.00 0.00 H new ATOM 0 HG3 LYS B 6 4.242 7.565 -6.742 1.00 0.00 H new ATOM 0 HD2 LYS B 6 4.237 5.692 -8.451 1.00 0.00 H new ATOM 0 HD3 LYS B 6 2.933 4.938 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS B 6 1.514 6.933 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS B 6 2.824 7.746 -8.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 1.267 6.773 -10.285 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 2.780 6.016 -10.429 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 1.510 5.228 -9.623 1.00 0.00 H new ATOM 1265 N THR B 7 4.923 7.520 -2.751 1.00 0.00 N ATOM 1266 CA THR B 7 4.373 7.573 -1.409 1.00 0.00 C ATOM 1267 C THR B 7 2.853 7.627 -1.419 1.00 0.00 C ATOM 1268 O THR B 7 2.222 7.749 -2.472 1.00 0.00 O ATOM 1269 CB THR B 7 4.908 8.797 -0.639 1.00 0.00 C ATOM 1270 OG1 THR B 7 4.478 10.001 -1.285 1.00 0.00 O ATOM 1271 CG2 THR B 7 6.426 8.772 -0.562 1.00 0.00 C ATOM 0 H THR B 7 5.289 8.410 -3.089 1.00 0.00 H new ATOM 0 HA THR B 7 4.689 6.657 -0.910 1.00 0.00 H new ATOM 0 HB THR B 7 4.512 8.763 0.376 1.00 0.00 H new ATOM 0 HG1 THR B 7 4.190 10.650 -0.609 1.00 0.00 H new ATOM 0 HG21 THR B 7 6.777 9.646 -0.014 1.00 0.00 H new ATOM 0 HG22 THR B 7 6.749 7.867 -0.047 1.00 0.00 H new ATOM 0 HG23 THR B 7 6.842 8.784 -1.570 1.00 0.00 H new ATOM 1279 N LEU B 8 2.276 7.544 -0.232 1.00 0.00 N ATOM 1280 CA LEU B 8 0.836 7.623 -0.060 1.00 0.00 C ATOM 1281 C LEU B 8 0.374 9.074 -0.192 1.00 0.00 C ATOM 1282 O LEU B 8 -0.813 9.353 -0.366 1.00 0.00 O ATOM 1283 CB LEU B 8 0.470 7.048 1.312 1.00 0.00 C ATOM 1284 CG LEU B 8 -0.976 6.592 1.480 1.00 0.00 C ATOM 1285 CD1 LEU B 8 -1.016 5.278 2.241 1.00 0.00 C ATOM 1286 CD2 LEU B 8 -1.795 7.650 2.207 1.00 0.00 C ATOM 0 H LEU B 8 2.793 7.420 0.639 1.00 0.00 H new ATOM 0 HA LEU B 8 0.332 7.042 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU B 8 1.124 6.200 1.515 1.00 0.00 H new ATOM 0 HB3 LEU B 8 0.683 7.803 2.069 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.413 6.446 0.492 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -2.051 4.957 2.358 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -0.461 4.520 1.688 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.564 5.413 3.224 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -2.823 7.303 2.316 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -1.366 7.828 3.193 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -1.783 8.577 1.633 1.00 0.00 H new ATOM 1298 N THR B 9 1.330 9.991 -0.124 1.00 0.00 N ATOM 1299 CA THR B 9 1.049 11.414 -0.225 1.00 0.00 C ATOM 1300 C THR B 9 1.101 11.900 -1.673 1.00 0.00 C ATOM 1301 O THR B 9 0.806 13.060 -1.959 1.00 0.00 O ATOM 1302 CB THR B 9 2.045 12.222 0.623 1.00 0.00 C ATOM 1303 OG1 THR B 9 3.367 11.682 0.456 1.00 0.00 O ATOM 1304 CG2 THR B 9 1.655 12.191 2.091 1.00 0.00 C ATOM 0 H THR B 9 2.318 9.769 0.002 1.00 0.00 H new ATOM 0 HA THR B 9 0.038 11.570 0.152 1.00 0.00 H new ATOM 0 HB THR B 9 2.028 13.259 0.287 1.00 0.00 H new ATOM 0 HG1 THR B 9 4.002 12.198 0.995 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.374 12.769 2.671 1.00 0.00 H new ATOM 0 HG22 THR B 9 0.661 12.621 2.213 1.00 0.00 H new ATOM 0 HG23 THR B 9 1.649 11.160 2.444 1.00 0.00 H new ATOM 1312 N GLY B 10 1.487 11.014 -2.581 1.00 0.00 N ATOM 1313 CA GLY B 10 1.511 11.364 -3.988 1.00 0.00 C ATOM 1314 C GLY B 10 2.887 11.768 -4.480 1.00 0.00 C ATOM 1315 O GLY B 10 3.025 12.278 -5.591 1.00 0.00 O ATOM 0 H GLY B 10 1.783 10.061 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY B 10 1.158 10.515 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY B 10 0.814 12.184 -4.164 1.00 0.00 H new ATOM 1319 N LYS B 11 3.904 11.541 -3.662 1.00 0.00 N ATOM 1320 CA LYS B 11 5.275 11.835 -4.055 1.00 0.00 C ATOM 1321 C LYS B 11 5.849 10.678 -4.854 1.00 0.00 C ATOM 1322 O LYS B 11 5.554 9.516 -4.577 1.00 0.00 O ATOM 1323 CB LYS B 11 6.153 12.099 -2.828 1.00 0.00 C ATOM 1324 CG LYS B 11 5.939 13.461 -2.191 1.00 0.00 C ATOM 1325 CD LYS B 11 6.480 14.574 -3.073 1.00 0.00 C ATOM 1326 CE LYS B 11 6.366 15.931 -2.398 1.00 0.00 C ATOM 1327 NZ LYS B 11 4.949 16.355 -2.226 1.00 0.00 N ATOM 0 H LYS B 11 3.807 11.155 -2.723 1.00 0.00 H new ATOM 0 HA LYS B 11 5.264 12.733 -4.673 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.958 11.327 -2.083 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.200 12.006 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.875 13.619 -2.014 1.00 0.00 H new ATOM 0 HG3 LYS B 11 6.432 13.492 -1.219 1.00 0.00 H new ATOM 0 HD2 LYS B 11 7.524 14.373 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS B 11 5.934 14.589 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS B 11 6.853 15.893 -1.424 1.00 0.00 H new ATOM 0 HE3 LYS B 11 6.897 16.676 -2.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.920 17.314 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 4.471 16.352 -3.150 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 4.465 15.696 -1.584 1.00 0.00 H new ATOM 1341 N THR B 12 6.645 10.997 -5.856 1.00 0.00 N ATOM 1342 CA THR B 12 7.327 9.986 -6.641 1.00 0.00 C ATOM 1343 C THR B 12 8.791 10.373 -6.825 1.00 0.00 C ATOM 1344 O THR B 12 9.139 11.134 -7.733 1.00 0.00 O ATOM 1345 CB THR B 12 6.654 9.791 -8.014 1.00 0.00 C ATOM 1346 OG1 THR B 12 5.247 9.576 -7.832 1.00 0.00 O ATOM 1347 CG2 THR B 12 7.257 8.604 -8.755 1.00 0.00 C ATOM 0 H THR B 12 6.836 11.956 -6.147 1.00 0.00 H new ATOM 0 HA THR B 12 7.266 9.041 -6.102 1.00 0.00 H new ATOM 0 HB THR B 12 6.820 10.689 -8.609 1.00 0.00 H new ATOM 0 HG1 THR B 12 4.819 9.454 -8.705 1.00 0.00 H new ATOM 0 HG21 THR B 12 6.764 8.489 -9.720 1.00 0.00 H new ATOM 0 HG22 THR B 12 8.322 8.775 -8.910 1.00 0.00 H new ATOM 0 HG23 THR B 12 7.117 7.698 -8.166 1.00 0.00 H new ATOM 1355 N ILE B 13 9.638 9.877 -5.936 1.00 0.00 N ATOM 1356 CA ILE B 13 11.050 10.213 -5.959 1.00 0.00 C ATOM 1357 C ILE B 13 11.890 9.027 -6.411 1.00 0.00 C ATOM 1358 O ILE B 13 11.517 7.872 -6.208 1.00 0.00 O ATOM 1359 CB ILE B 13 11.540 10.702 -4.581 1.00 0.00 C ATOM 1360 CG1 ILE B 13 11.110 9.731 -3.477 1.00 0.00 C ATOM 1361 CG2 ILE B 13 11.021 12.106 -4.302 1.00 0.00 C ATOM 1362 CD1 ILE B 13 11.489 10.186 -2.083 1.00 0.00 C ATOM 0 H ILE B 13 9.369 9.238 -5.188 1.00 0.00 H new ATOM 0 HA ILE B 13 11.171 11.025 -6.676 1.00 0.00 H new ATOM 0 HB ILE B 13 12.629 10.736 -4.593 1.00 0.00 H new ATOM 0 HG12 ILE B 13 10.029 9.597 -3.524 1.00 0.00 H new ATOM 0 HG13 ILE B 13 11.561 8.757 -3.667 1.00 0.00 H new ATOM 0 HG21 ILE B 13 11.375 12.438 -3.326 1.00 0.00 H new ATOM 0 HG22 ILE B 13 11.385 12.788 -5.071 1.00 0.00 H new ATOM 0 HG23 ILE B 13 9.931 12.099 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE B 13 11.152 9.448 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE B 13 12.572 10.293 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE B 13 11.017 11.145 -1.872 1.00 0.00 H new ATOM 1374 N THR B 14 13.017 9.323 -7.028 1.00 0.00 N ATOM 1375 CA THR B 14 13.897 8.298 -7.549 1.00 0.00 C ATOM 1376 C THR B 14 15.002 7.976 -6.551 1.00 0.00 C ATOM 1377 O THR B 14 15.711 8.867 -6.075 1.00 0.00 O ATOM 1378 CB THR B 14 14.508 8.738 -8.890 1.00 0.00 C ATOM 1379 OG1 THR B 14 13.453 9.020 -9.819 1.00 0.00 O ATOM 1380 CG2 THR B 14 15.421 7.660 -9.459 1.00 0.00 C ATOM 0 H THR B 14 13.347 10.276 -7.181 1.00 0.00 H new ATOM 0 HA THR B 14 13.305 7.398 -7.713 1.00 0.00 H new ATOM 0 HB THR B 14 15.107 9.633 -8.722 1.00 0.00 H new ATOM 0 HG1 THR B 14 13.064 8.179 -10.137 1.00 0.00 H new ATOM 0 HG21 THR B 14 15.838 8.000 -10.407 1.00 0.00 H new ATOM 0 HG22 THR B 14 16.231 7.461 -8.757 1.00 0.00 H new ATOM 0 HG23 THR B 14 14.849 6.747 -9.621 1.00 0.00 H new ATOM 1388 N LEU B 15 15.128 6.702 -6.221 1.00 0.00 N ATOM 1389 CA LEU B 15 16.129 6.256 -5.273 1.00 0.00 C ATOM 1390 C LEU B 15 17.104 5.285 -5.931 1.00 0.00 C ATOM 1391 O LEU B 15 16.692 4.291 -6.534 1.00 0.00 O ATOM 1392 CB LEU B 15 15.452 5.602 -4.079 1.00 0.00 C ATOM 1393 CG LEU B 15 16.363 5.357 -2.880 1.00 0.00 C ATOM 1394 CD1 LEU B 15 17.070 6.640 -2.470 1.00 0.00 C ATOM 1395 CD2 LEU B 15 15.550 4.814 -1.728 1.00 0.00 C ATOM 0 H LEU B 15 14.545 5.956 -6.599 1.00 0.00 H new ATOM 0 HA LEU B 15 16.696 7.122 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU B 15 14.620 6.230 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU B 15 15.029 4.649 -4.396 1.00 0.00 H new ATOM 0 HG LEU B 15 17.123 4.627 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU B 15 17.714 6.443 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU B 15 17.673 7.005 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU B 15 16.330 7.393 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU B 15 16.203 4.640 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU B 15 14.779 5.535 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU B 15 15.081 3.876 -2.024 1.00 0.00 H new ATOM 1407 N GLU B 16 18.389 5.589 -5.828 1.00 0.00 N ATOM 1408 CA GLU B 16 19.431 4.727 -6.372 1.00 0.00 C ATOM 1409 C GLU B 16 19.806 3.652 -5.358 1.00 0.00 C ATOM 1410 O GLU B 16 20.456 3.931 -4.345 1.00 0.00 O ATOM 1411 CB GLU B 16 20.661 5.559 -6.751 1.00 0.00 C ATOM 1412 CG GLU B 16 21.825 4.741 -7.293 1.00 0.00 C ATOM 1413 CD GLU B 16 21.492 4.009 -8.576 1.00 0.00 C ATOM 1414 OE1 GLU B 16 21.587 4.622 -9.656 1.00 0.00 O ATOM 1415 OE2 GLU B 16 21.158 2.812 -8.514 1.00 0.00 O ATOM 0 H GLU B 16 18.738 6.431 -5.370 1.00 0.00 H new ATOM 0 HA GLU B 16 19.052 4.240 -7.270 1.00 0.00 H new ATOM 0 HB2 GLU B 16 20.370 6.296 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU B 16 20.997 6.111 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU B 16 22.674 5.401 -7.469 1.00 0.00 H new ATOM 0 HG3 GLU B 16 22.135 4.017 -6.539 1.00 0.00 H new ATOM 1422 N VAL B 17 19.382 2.427 -5.627 1.00 0.00 N ATOM 1423 CA VAL B 17 19.619 1.314 -4.720 1.00 0.00 C ATOM 1424 C VAL B 17 20.310 0.167 -5.451 1.00 0.00 C ATOM 1425 O VAL B 17 20.035 -0.086 -6.624 1.00 0.00 O ATOM 1426 CB VAL B 17 18.299 0.804 -4.095 1.00 0.00 C ATOM 1427 CG1 VAL B 17 17.624 1.907 -3.302 1.00 0.00 C ATOM 1428 CG2 VAL B 17 17.363 0.271 -5.170 1.00 0.00 C ATOM 0 H VAL B 17 18.868 2.177 -6.472 1.00 0.00 H new ATOM 0 HA VAL B 17 20.264 1.677 -3.920 1.00 0.00 H new ATOM 0 HB VAL B 17 18.538 -0.014 -3.415 1.00 0.00 H new ATOM 0 HG11 VAL B 17 16.697 1.530 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL B 17 18.288 2.240 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL B 17 17.402 2.746 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.441 -0.082 -4.707 1.00 0.00 H new ATOM 0 HG22 VAL B 17 17.132 1.067 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL B 17 17.844 -0.554 -5.695 1.00 0.00 H new ATOM 1438 N GLU B 18 21.201 -0.524 -4.763 1.00 0.00 N ATOM 1439 CA GLU B 18 21.894 -1.657 -5.348 1.00 0.00 C ATOM 1440 C GLU B 18 21.058 -2.912 -5.142 1.00 0.00 C ATOM 1441 O GLU B 18 20.286 -2.992 -4.192 1.00 0.00 O ATOM 1442 CB GLU B 18 23.272 -1.826 -4.705 1.00 0.00 C ATOM 1443 CG GLU B 18 24.198 -2.746 -5.482 1.00 0.00 C ATOM 1444 CD GLU B 18 25.528 -2.954 -4.792 1.00 0.00 C ATOM 1445 OE1 GLU B 18 26.255 -1.963 -4.572 1.00 0.00 O ATOM 1446 OE2 GLU B 18 25.854 -4.114 -4.465 1.00 0.00 O ATOM 0 H GLU B 18 21.462 -0.320 -3.798 1.00 0.00 H new ATOM 0 HA GLU B 18 22.034 -1.485 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU B 18 23.742 -0.847 -4.610 1.00 0.00 H new ATOM 0 HB3 GLU B 18 23.147 -2.218 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU B 18 23.711 -3.711 -5.622 1.00 0.00 H new ATOM 0 HG3 GLU B 18 24.369 -2.329 -6.474 1.00 0.00 H new ATOM 1453 N SER B 19 21.209 -3.893 -6.020 1.00 0.00 N ATOM 1454 CA SER B 19 20.432 -5.124 -5.926 1.00 0.00 C ATOM 1455 C SER B 19 20.787 -5.893 -4.649 1.00 0.00 C ATOM 1456 O SER B 19 20.040 -6.767 -4.206 1.00 0.00 O ATOM 1457 CB SER B 19 20.699 -5.994 -7.151 1.00 0.00 C ATOM 1458 OG SER B 19 20.716 -5.205 -8.331 1.00 0.00 O ATOM 0 H SER B 19 21.860 -3.862 -6.804 1.00 0.00 H new ATOM 0 HA SER B 19 19.373 -4.867 -5.888 1.00 0.00 H new ATOM 0 HB2 SER B 19 21.653 -6.508 -7.037 1.00 0.00 H new ATOM 0 HB3 SER B 19 19.930 -6.763 -7.232 1.00 0.00 H new ATOM 0 HG SER B 19 21.454 -5.494 -8.907 1.00 0.00 H new ATOM 1464 N SER B 20 21.927 -5.550 -4.064 1.00 0.00 N ATOM 1465 CA SER B 20 22.408 -6.217 -2.867 1.00 0.00 C ATOM 1466 C SER B 20 21.961 -5.470 -1.609 1.00 0.00 C ATOM 1467 O SER B 20 22.204 -5.924 -0.490 1.00 0.00 O ATOM 1468 CB SER B 20 23.931 -6.299 -2.904 1.00 0.00 C ATOM 1469 OG SER B 20 24.411 -6.300 -4.242 1.00 0.00 O ATOM 0 H SER B 20 22.538 -4.808 -4.404 1.00 0.00 H new ATOM 0 HA SER B 20 21.987 -7.222 -2.838 1.00 0.00 H new ATOM 0 HB2 SER B 20 24.357 -5.455 -2.362 1.00 0.00 H new ATOM 0 HB3 SER B 20 24.262 -7.204 -2.395 1.00 0.00 H new ATOM 0 HG SER B 20 24.736 -5.405 -4.474 1.00 0.00 H new ATOM 1475 N ASP B 21 21.313 -4.322 -1.800 1.00 0.00 N ATOM 1476 CA ASP B 21 20.836 -3.517 -0.677 1.00 0.00 C ATOM 1477 C ASP B 21 19.739 -4.245 0.081 1.00 0.00 C ATOM 1478 O ASP B 21 18.912 -4.946 -0.513 1.00 0.00 O ATOM 1479 CB ASP B 21 20.300 -2.157 -1.147 1.00 0.00 C ATOM 1480 CG ASP B 21 21.330 -1.045 -1.074 1.00 0.00 C ATOM 1481 OD1 ASP B 21 21.714 -0.659 0.050 1.00 0.00 O ATOM 1482 OD2 ASP B 21 21.728 -0.523 -2.133 1.00 0.00 O ATOM 0 H ASP B 21 21.107 -3.929 -2.719 1.00 0.00 H new ATOM 0 HA ASP B 21 21.689 -3.352 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP B 21 19.948 -2.249 -2.174 1.00 0.00 H new ATOM 0 HB3 ASP B 21 19.438 -1.884 -0.538 1.00 0.00 H new ATOM 1487 N THR B 22 19.742 -4.091 1.393 1.00 0.00 N ATOM 1488 CA THR B 22 18.701 -4.654 2.224 1.00 0.00 C ATOM 1489 C THR B 22 17.545 -3.668 2.351 1.00 0.00 C ATOM 1490 O THR B 22 17.719 -2.464 2.150 1.00 0.00 O ATOM 1491 CB THR B 22 19.233 -5.014 3.624 1.00 0.00 C ATOM 1492 OG1 THR B 22 19.813 -3.859 4.242 1.00 0.00 O ATOM 1493 CG2 THR B 22 20.268 -6.127 3.547 1.00 0.00 C ATOM 0 H THR B 22 20.459 -3.577 1.905 1.00 0.00 H new ATOM 0 HA THR B 22 18.351 -5.570 1.748 1.00 0.00 H new ATOM 0 HB THR B 22 18.393 -5.364 4.224 1.00 0.00 H new ATOM 0 HG1 THR B 22 19.570 -3.839 5.191 1.00 0.00 H new ATOM 0 HG21 THR B 22 20.626 -6.361 4.550 1.00 0.00 H new ATOM 0 HG22 THR B 22 19.815 -7.016 3.107 1.00 0.00 H new ATOM 0 HG23 THR B 22 21.105 -5.803 2.929 1.00 0.00 H new ATOM 1501 N ILE B 23 16.372 -4.176 2.684 1.00 0.00 N ATOM 1502 CA ILE B 23 15.184 -3.341 2.803 1.00 0.00 C ATOM 1503 C ILE B 23 15.360 -2.290 3.902 1.00 0.00 C ATOM 1504 O ILE B 23 14.855 -1.173 3.788 1.00 0.00 O ATOM 1505 CB ILE B 23 13.931 -4.192 3.092 1.00 0.00 C ATOM 1506 CG1 ILE B 23 13.752 -5.262 2.012 1.00 0.00 C ATOM 1507 CG2 ILE B 23 12.687 -3.316 3.187 1.00 0.00 C ATOM 1508 CD1 ILE B 23 13.604 -4.706 0.614 1.00 0.00 C ATOM 0 H ILE B 23 16.214 -5.165 2.878 1.00 0.00 H new ATOM 0 HA ILE B 23 15.047 -2.833 1.848 1.00 0.00 H new ATOM 0 HB ILE B 23 14.070 -4.687 4.053 1.00 0.00 H new ATOM 0 HG12 ILE B 23 14.610 -5.934 2.036 1.00 0.00 H new ATOM 0 HG13 ILE B 23 12.872 -5.860 2.249 1.00 0.00 H new ATOM 0 HG21 ILE B 23 11.817 -3.940 3.391 1.00 0.00 H new ATOM 0 HG22 ILE B 23 12.812 -2.593 3.993 1.00 0.00 H new ATOM 0 HG23 ILE B 23 12.541 -2.788 2.245 1.00 0.00 H new ATOM 0 HD11 ILE B 23 13.482 -5.527 -0.093 1.00 0.00 H new ATOM 0 HD12 ILE B 23 12.729 -4.057 0.571 1.00 0.00 H new ATOM 0 HD13 ILE B 23 14.494 -4.133 0.354 1.00 0.00 H new ATOM 1520 N ASP B 24 16.099 -2.640 4.953 1.00 0.00 N ATOM 1521 CA ASP B 24 16.337 -1.709 6.053 1.00 0.00 C ATOM 1522 C ASP B 24 17.254 -0.578 5.600 1.00 0.00 C ATOM 1523 O ASP B 24 17.141 0.555 6.076 1.00 0.00 O ATOM 1524 CB ASP B 24 16.941 -2.419 7.274 1.00 0.00 C ATOM 1525 CG ASP B 24 18.338 -2.952 7.027 1.00 0.00 C ATOM 1526 OD1 ASP B 24 18.461 -4.108 6.568 1.00 0.00 O ATOM 1527 OD2 ASP B 24 19.317 -2.221 7.289 1.00 0.00 O ATOM 0 H ASP B 24 16.540 -3.553 5.066 1.00 0.00 H new ATOM 0 HA ASP B 24 15.373 -1.294 6.349 1.00 0.00 H new ATOM 0 HB2 ASP B 24 16.968 -1.724 8.113 1.00 0.00 H new ATOM 0 HB3 ASP B 24 16.291 -3.244 7.564 1.00 0.00 H new ATOM 1532 N ASN B 25 18.142 -0.885 4.662 1.00 0.00 N ATOM 1533 CA ASN B 25 19.035 0.118 4.110 1.00 0.00 C ATOM 1534 C ASN B 25 18.237 1.064 3.228 1.00 0.00 C ATOM 1535 O ASN B 25 18.402 2.277 3.303 1.00 0.00 O ATOM 1536 CB ASN B 25 20.172 -0.536 3.316 1.00 0.00 C ATOM 1537 CG ASN B 25 21.305 0.430 2.994 1.00 0.00 C ATOM 1538 OD1 ASN B 25 21.093 1.628 2.789 1.00 0.00 O ATOM 1539 ND2 ASN B 25 22.520 -0.087 2.945 1.00 0.00 N ATOM 0 H ASN B 25 18.260 -1.819 4.270 1.00 0.00 H new ATOM 0 HA ASN B 25 19.488 0.681 4.926 1.00 0.00 H new ATOM 0 HB2 ASN B 25 20.569 -1.376 3.886 1.00 0.00 H new ATOM 0 HB3 ASN B 25 19.772 -0.941 2.387 1.00 0.00 H new ATOM 0 HD21 ASN B 25 23.320 0.509 2.732 1.00 0.00 H new ATOM 0 HD22 ASN B 25 22.658 -1.082 3.120 1.00 0.00 H new ATOM 1546 N VAL B 26 17.344 0.502 2.415 1.00 0.00 N ATOM 1547 CA VAL B 26 16.475 1.300 1.564 1.00 0.00 C ATOM 1548 C VAL B 26 15.594 2.218 2.413 1.00 0.00 C ATOM 1549 O VAL B 26 15.410 3.390 2.082 1.00 0.00 O ATOM 1550 CB VAL B 26 15.595 0.411 0.661 1.00 0.00 C ATOM 1551 CG1 VAL B 26 14.754 1.261 -0.267 1.00 0.00 C ATOM 1552 CG2 VAL B 26 16.454 -0.548 -0.145 1.00 0.00 C ATOM 0 H VAL B 26 17.206 -0.505 2.331 1.00 0.00 H new ATOM 0 HA VAL B 26 17.111 1.908 0.921 1.00 0.00 H new ATOM 0 HB VAL B 26 14.930 -0.169 1.301 1.00 0.00 H new ATOM 0 HG11 VAL B 26 14.140 0.616 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL B 26 14.109 1.914 0.322 1.00 0.00 H new ATOM 0 HG13 VAL B 26 15.406 1.867 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL B 26 15.815 -1.166 -0.776 1.00 0.00 H new ATOM 0 HG22 VAL B 26 17.143 0.019 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL B 26 17.021 -1.186 0.533 1.00 0.00 H new ATOM 1562 N LYS B 27 15.073 1.685 3.521 1.00 0.00 N ATOM 1563 CA LYS B 27 14.316 2.495 4.478 1.00 0.00 C ATOM 1564 C LYS B 27 15.159 3.672 4.962 1.00 0.00 C ATOM 1565 O LYS B 27 14.687 4.812 5.027 1.00 0.00 O ATOM 1566 CB LYS B 27 13.880 1.660 5.687 1.00 0.00 C ATOM 1567 CG LYS B 27 12.756 0.673 5.408 1.00 0.00 C ATOM 1568 CD LYS B 27 12.291 0.015 6.698 1.00 0.00 C ATOM 1569 CE LYS B 27 11.089 -0.889 6.482 1.00 0.00 C ATOM 1570 NZ LYS B 27 10.511 -1.357 7.773 1.00 0.00 N ATOM 0 H LYS B 27 15.161 0.701 3.777 1.00 0.00 H new ATOM 0 HA LYS B 27 13.428 2.865 3.966 1.00 0.00 H new ATOM 0 HB2 LYS B 27 14.743 1.110 6.061 1.00 0.00 H new ATOM 0 HB3 LYS B 27 13.563 2.335 6.482 1.00 0.00 H new ATOM 0 HG2 LYS B 27 11.921 1.189 4.935 1.00 0.00 H new ATOM 0 HG3 LYS B 27 13.099 -0.089 4.708 1.00 0.00 H new ATOM 0 HD2 LYS B 27 13.109 -0.567 7.122 1.00 0.00 H new ATOM 0 HD3 LYS B 27 12.037 0.786 7.426 1.00 0.00 H new ATOM 0 HE2 LYS B 27 10.328 -0.353 5.916 1.00 0.00 H new ATOM 0 HE3 LYS B 27 11.385 -1.750 5.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 9.492 -1.529 7.655 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 10.979 -2.239 8.064 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 10.657 -0.630 8.503 1.00 0.00 H new ATOM 1584 N SER B 28 16.412 3.386 5.283 1.00 0.00 N ATOM 1585 CA SER B 28 17.332 4.404 5.760 1.00 0.00 C ATOM 1586 C SER B 28 17.684 5.383 4.644 1.00 0.00 C ATOM 1587 O SER B 28 17.959 6.551 4.903 1.00 0.00 O ATOM 1588 CB SER B 28 18.591 3.754 6.323 1.00 0.00 C ATOM 1589 OG SER B 28 18.267 2.810 7.335 1.00 0.00 O ATOM 0 H SER B 28 16.815 2.451 5.221 1.00 0.00 H new ATOM 0 HA SER B 28 16.844 4.964 6.557 1.00 0.00 H new ATOM 0 HB2 SER B 28 19.139 3.259 5.521 1.00 0.00 H new ATOM 0 HB3 SER B 28 19.249 4.521 6.733 1.00 0.00 H new ATOM 0 HG SER B 28 17.885 2.007 6.923 1.00 0.00 H new ATOM 1595 N LYS B 29 17.657 4.910 3.400 1.00 0.00 N ATOM 1596 CA LYS B 29 17.906 5.775 2.255 1.00 0.00 C ATOM 1597 C LYS B 29 16.799 6.813 2.133 1.00 0.00 C ATOM 1598 O LYS B 29 17.051 7.969 1.797 1.00 0.00 O ATOM 1599 CB LYS B 29 17.987 4.975 0.955 1.00 0.00 C ATOM 1600 CG LYS B 29 19.084 3.926 0.914 1.00 0.00 C ATOM 1601 CD LYS B 29 19.146 3.275 -0.455 1.00 0.00 C ATOM 1602 CE LYS B 29 19.835 1.921 -0.423 1.00 0.00 C ATOM 1603 NZ LYS B 29 21.240 2.001 0.053 1.00 0.00 N ATOM 0 H LYS B 29 17.466 3.937 3.162 1.00 0.00 H new ATOM 0 HA LYS B 29 18.864 6.269 2.419 1.00 0.00 H new ATOM 0 HB2 LYS B 29 17.029 4.483 0.788 1.00 0.00 H new ATOM 0 HB3 LYS B 29 18.137 5.669 0.128 1.00 0.00 H new ATOM 0 HG2 LYS B 29 20.044 4.386 1.148 1.00 0.00 H new ATOM 0 HG3 LYS B 29 18.899 3.168 1.675 1.00 0.00 H new ATOM 0 HD2 LYS B 29 18.135 3.156 -0.843 1.00 0.00 H new ATOM 0 HD3 LYS B 29 19.676 3.933 -1.143 1.00 0.00 H new ATOM 0 HE2 LYS B 29 19.274 1.248 0.226 1.00 0.00 H new ATOM 0 HE3 LYS B 29 19.819 1.487 -1.423 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 21.727 1.105 -0.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 21.728 2.779 -0.435 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 21.250 2.176 1.078 1.00 0.00 H new ATOM 1617 N ILE B 30 15.570 6.394 2.403 1.00 0.00 N ATOM 1618 CA ILE B 30 14.437 7.306 2.374 1.00 0.00 C ATOM 1619 C ILE B 30 14.503 8.258 3.567 1.00 0.00 C ATOM 1620 O ILE B 30 14.084 9.413 3.480 1.00 0.00 O ATOM 1621 CB ILE B 30 13.089 6.550 2.373 1.00 0.00 C ATOM 1622 CG1 ILE B 30 13.074 5.496 1.261 1.00 0.00 C ATOM 1623 CG2 ILE B 30 11.939 7.531 2.185 1.00 0.00 C ATOM 1624 CD1 ILE B 30 11.829 4.634 1.246 1.00 0.00 C ATOM 0 H ILE B 30 15.334 5.431 2.644 1.00 0.00 H new ATOM 0 HA ILE B 30 14.495 7.877 1.447 1.00 0.00 H new ATOM 0 HB ILE B 30 12.968 6.047 3.332 1.00 0.00 H new ATOM 0 HG12 ILE B 30 13.168 5.998 0.298 1.00 0.00 H new ATOM 0 HG13 ILE B 30 13.947 4.853 1.372 1.00 0.00 H new ATOM 0 HG21 ILE B 30 10.994 6.988 2.186 1.00 0.00 H new ATOM 0 HG22 ILE B 30 11.942 8.256 2.999 1.00 0.00 H new ATOM 0 HG23 ILE B 30 12.057 8.052 1.235 1.00 0.00 H new ATOM 0 HD11 ILE B 30 11.895 3.914 0.431 1.00 0.00 H new ATOM 0 HD12 ILE B 30 11.743 4.102 2.194 1.00 0.00 H new ATOM 0 HD13 ILE B 30 10.952 5.265 1.103 1.00 0.00 H new ATOM 1636 N GLN B 31 15.051 7.772 4.677 1.00 0.00 N ATOM 1637 CA GLN B 31 15.304 8.615 5.841 1.00 0.00 C ATOM 1638 C GLN B 31 16.344 9.675 5.488 1.00 0.00 C ATOM 1639 O GLN B 31 16.275 10.815 5.940 1.00 0.00 O ATOM 1640 CB GLN B 31 15.794 7.766 7.018 1.00 0.00 C ATOM 1641 CG GLN B 31 15.880 8.527 8.334 1.00 0.00 C ATOM 1642 CD GLN B 31 16.499 7.705 9.451 1.00 0.00 C ATOM 1643 OE1 GLN B 31 17.456 6.856 9.103 1.00 0.00 O flip ATOM 1644 NE2 GLN B 31 16.137 7.845 10.618 1.00 0.00 N flip ATOM 0 H GLN B 31 15.329 6.798 4.795 1.00 0.00 H new ATOM 0 HA GLN B 31 14.376 9.106 6.133 1.00 0.00 H new ATOM 0 HB2 GLN B 31 15.123 6.916 7.144 1.00 0.00 H new ATOM 0 HB3 GLN B 31 16.778 7.363 6.778 1.00 0.00 H new ATOM 0 HG2 GLN B 31 16.469 9.433 8.187 1.00 0.00 H new ATOM 0 HG3 GLN B 31 14.880 8.842 8.632 1.00 0.00 H new ATOM 0 HE21 GLN B 31 15.397 8.509 10.846 1.00 0.00 H new ATOM 0 HE22 GLN B 31 16.577 7.297 11.358 1.00 0.00 H new ATOM 1653 N ASP B 32 17.296 9.276 4.658 1.00 0.00 N ATOM 1654 CA ASP B 32 18.328 10.173 4.153 1.00 0.00 C ATOM 1655 C ASP B 32 17.737 11.201 3.186 1.00 0.00 C ATOM 1656 O ASP B 32 18.173 12.353 3.138 1.00 0.00 O ATOM 1657 CB ASP B 32 19.418 9.346 3.462 1.00 0.00 C ATOM 1658 CG ASP B 32 20.417 10.183 2.693 1.00 0.00 C ATOM 1659 OD1 ASP B 32 21.341 10.742 3.318 1.00 0.00 O ATOM 1660 OD2 ASP B 32 20.301 10.263 1.452 1.00 0.00 O ATOM 0 H ASP B 32 17.376 8.319 4.314 1.00 0.00 H new ATOM 0 HA ASP B 32 18.763 10.721 4.989 1.00 0.00 H new ATOM 0 HB2 ASP B 32 19.949 8.760 4.213 1.00 0.00 H new ATOM 0 HB3 ASP B 32 18.948 8.638 2.779 1.00 0.00 H new ATOM 1665 N LYS B 33 16.733 10.779 2.426 1.00 0.00 N ATOM 1666 CA LYS B 33 16.086 11.654 1.454 1.00 0.00 C ATOM 1667 C LYS B 33 15.025 12.544 2.103 1.00 0.00 C ATOM 1668 O LYS B 33 15.210 13.756 2.223 1.00 0.00 O ATOM 1669 CB LYS B 33 15.451 10.829 0.328 1.00 0.00 C ATOM 1670 CG LYS B 33 16.460 10.227 -0.640 1.00 0.00 C ATOM 1671 CD LYS B 33 17.222 11.309 -1.391 1.00 0.00 C ATOM 1672 CE LYS B 33 18.145 10.724 -2.450 1.00 0.00 C ATOM 1673 NZ LYS B 33 17.395 10.034 -3.537 1.00 0.00 N ATOM 0 H LYS B 33 16.349 9.835 2.464 1.00 0.00 H new ATOM 0 HA LYS B 33 16.859 12.301 1.039 1.00 0.00 H new ATOM 0 HB2 LYS B 33 14.860 10.025 0.768 1.00 0.00 H new ATOM 0 HB3 LYS B 33 14.761 11.463 -0.229 1.00 0.00 H new ATOM 0 HG2 LYS B 33 17.162 9.599 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS B 33 15.944 9.582 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS B 33 16.514 11.990 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS B 33 17.807 11.897 -0.684 1.00 0.00 H new ATOM 0 HE2 LYS B 33 18.752 11.521 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS B 33 18.831 10.019 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 17.669 9.031 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 16.374 10.109 -3.356 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 17.618 10.480 -4.450 1.00 0.00 H new ATOM 1687 N GLU B 34 13.920 11.940 2.525 1.00 0.00 N ATOM 1688 CA GLU B 34 12.764 12.698 3.000 1.00 0.00 C ATOM 1689 C GLU B 34 12.729 12.801 4.521 1.00 0.00 C ATOM 1690 O GLU B 34 11.927 13.554 5.077 1.00 0.00 O ATOM 1691 CB GLU B 34 11.468 12.058 2.501 1.00 0.00 C ATOM 1692 CG GLU B 34 11.290 12.135 0.995 1.00 0.00 C ATOM 1693 CD GLU B 34 11.275 13.563 0.493 1.00 0.00 C ATOM 1694 OE1 GLU B 34 10.254 14.255 0.688 1.00 0.00 O ATOM 1695 OE2 GLU B 34 12.289 14.008 -0.085 1.00 0.00 O ATOM 0 H GLU B 34 13.798 10.928 2.549 1.00 0.00 H new ATOM 0 HA GLU B 34 12.856 13.707 2.598 1.00 0.00 H new ATOM 0 HB2 GLU B 34 11.448 11.012 2.807 1.00 0.00 H new ATOM 0 HB3 GLU B 34 10.622 12.548 2.984 1.00 0.00 H new ATOM 0 HG2 GLU B 34 12.097 11.589 0.507 1.00 0.00 H new ATOM 0 HG3 GLU B 34 10.358 11.644 0.715 1.00 0.00 H new ATOM 1702 N GLY B 35 13.581 12.037 5.187 1.00 0.00 N ATOM 1703 CA GLY B 35 13.642 12.083 6.639 1.00 0.00 C ATOM 1704 C GLY B 35 12.512 11.317 7.295 1.00 0.00 C ATOM 1705 O GLY B 35 11.957 11.753 8.302 1.00 0.00 O ATOM 0 H GLY B 35 14.233 11.385 4.751 1.00 0.00 H new ATOM 0 HA2 GLY B 35 14.595 11.672 6.972 1.00 0.00 H new ATOM 0 HA3 GLY B 35 13.610 13.122 6.967 1.00 0.00 H new ATOM 1709 N ILE B 36 12.166 10.172 6.729 1.00 0.00 N ATOM 1710 CA ILE B 36 11.087 9.358 7.266 1.00 0.00 C ATOM 1711 C ILE B 36 11.661 8.184 8.060 1.00 0.00 C ATOM 1712 O ILE B 36 12.544 7.477 7.573 1.00 0.00 O ATOM 1713 CB ILE B 36 10.167 8.831 6.139 1.00 0.00 C ATOM 1714 CG1 ILE B 36 9.762 9.975 5.202 1.00 0.00 C ATOM 1715 CG2 ILE B 36 8.929 8.166 6.727 1.00 0.00 C ATOM 1716 CD1 ILE B 36 8.923 9.530 4.022 1.00 0.00 C ATOM 0 H ILE B 36 12.616 9.785 5.899 1.00 0.00 H new ATOM 0 HA ILE B 36 10.489 9.985 7.927 1.00 0.00 H new ATOM 0 HB ILE B 36 10.718 8.087 5.564 1.00 0.00 H new ATOM 0 HG12 ILE B 36 9.205 10.719 5.772 1.00 0.00 H new ATOM 0 HG13 ILE B 36 10.662 10.465 4.832 1.00 0.00 H new ATOM 0 HG21 ILE B 36 8.294 7.801 5.920 1.00 0.00 H new ATOM 0 HG22 ILE B 36 9.230 7.330 7.358 1.00 0.00 H new ATOM 0 HG23 ILE B 36 8.376 8.891 7.325 1.00 0.00 H new ATOM 0 HD11 ILE B 36 8.676 10.394 3.405 1.00 0.00 H new ATOM 0 HD12 ILE B 36 9.484 8.809 3.428 1.00 0.00 H new ATOM 0 HD13 ILE B 36 8.005 9.067 4.383 1.00 0.00 H new ATOM 1728 N PRO B 37 11.184 7.981 9.301 1.00 0.00 N ATOM 1729 CA PRO B 37 11.654 6.893 10.171 1.00 0.00 C ATOM 1730 C PRO B 37 11.481 5.514 9.533 1.00 0.00 C ATOM 1731 O PRO B 37 10.408 5.184 9.025 1.00 0.00 O ATOM 1732 CB PRO B 37 10.771 7.019 11.418 1.00 0.00 C ATOM 1733 CG PRO B 37 10.294 8.429 11.408 1.00 0.00 C ATOM 1734 CD PRO B 37 10.156 8.805 9.961 1.00 0.00 C ATOM 0 HA PRO B 37 12.721 6.977 10.378 1.00 0.00 H new ATOM 0 HB2 PRO B 37 9.936 6.319 11.383 1.00 0.00 H new ATOM 0 HB3 PRO B 37 11.334 6.799 12.325 1.00 0.00 H new ATOM 0 HG2 PRO B 37 9.341 8.523 11.929 1.00 0.00 H new ATOM 0 HG3 PRO B 37 11.001 9.084 11.916 1.00 0.00 H new ATOM 0 HD2 PRO B 37 9.158 8.585 9.581 1.00 0.00 H new ATOM 0 HD3 PRO B 37 10.330 9.869 9.803 1.00 0.00 H new ATOM 1742 N PRO B 38 12.545 4.691 9.554 1.00 0.00 N ATOM 1743 CA PRO B 38 12.540 3.356 8.934 1.00 0.00 C ATOM 1744 C PRO B 38 11.427 2.456 9.467 1.00 0.00 C ATOM 1745 O PRO B 38 10.731 1.788 8.702 1.00 0.00 O ATOM 1746 CB PRO B 38 13.912 2.783 9.304 1.00 0.00 C ATOM 1747 CG PRO B 38 14.764 3.974 9.578 1.00 0.00 C ATOM 1748 CD PRO B 38 13.847 5.004 10.173 1.00 0.00 C ATOM 0 HA PRO B 38 12.359 3.416 7.861 1.00 0.00 H new ATOM 0 HB2 PRO B 38 13.847 2.135 10.178 1.00 0.00 H new ATOM 0 HB3 PRO B 38 14.322 2.183 8.492 1.00 0.00 H new ATOM 0 HG2 PRO B 38 15.573 3.727 10.266 1.00 0.00 H new ATOM 0 HG3 PRO B 38 15.226 4.344 8.662 1.00 0.00 H new ATOM 0 HD2 PRO B 38 13.806 4.927 11.259 1.00 0.00 H new ATOM 0 HD3 PRO B 38 14.172 6.017 9.937 1.00 0.00 H new ATOM 1756 N ASP B 39 11.250 2.463 10.779 1.00 0.00 N ATOM 1757 CA ASP B 39 10.272 1.592 11.428 1.00 0.00 C ATOM 1758 C ASP B 39 8.845 2.057 11.180 1.00 0.00 C ATOM 1759 O ASP B 39 7.889 1.351 11.502 1.00 0.00 O ATOM 1760 CB ASP B 39 10.538 1.517 12.931 1.00 0.00 C ATOM 1761 CG ASP B 39 11.835 0.806 13.246 1.00 0.00 C ATOM 1762 OD1 ASP B 39 11.825 -0.437 13.345 1.00 0.00 O ATOM 1763 OD2 ASP B 39 12.873 1.488 13.391 1.00 0.00 O ATOM 0 H ASP B 39 11.770 3.062 11.420 1.00 0.00 H new ATOM 0 HA ASP B 39 10.382 0.600 10.990 1.00 0.00 H new ATOM 0 HB2 ASP B 39 10.569 2.525 13.344 1.00 0.00 H new ATOM 0 HB3 ASP B 39 9.713 0.998 13.419 1.00 0.00 H new ATOM 1768 N GLN B 40 8.703 3.238 10.601 1.00 0.00 N ATOM 1769 CA GLN B 40 7.393 3.787 10.301 1.00 0.00 C ATOM 1770 C GLN B 40 7.027 3.517 8.842 1.00 0.00 C ATOM 1771 O GLN B 40 5.897 3.727 8.420 1.00 0.00 O ATOM 1772 CB GLN B 40 7.387 5.293 10.580 1.00 0.00 C ATOM 1773 CG GLN B 40 6.044 5.959 10.331 1.00 0.00 C ATOM 1774 CD GLN B 40 6.133 7.468 10.340 1.00 0.00 C ATOM 1775 OE1 GLN B 40 6.433 8.039 9.185 1.00 0.00 O flip ATOM 1776 NE2 GLN B 40 5.938 8.113 11.370 1.00 0.00 N flip ATOM 0 H GLN B 40 9.483 3.836 10.329 1.00 0.00 H new ATOM 0 HA GLN B 40 6.651 3.305 10.938 1.00 0.00 H new ATOM 0 HB2 GLN B 40 7.679 5.462 11.617 1.00 0.00 H new ATOM 0 HB3 GLN B 40 8.141 5.772 9.955 1.00 0.00 H new ATOM 0 HG2 GLN B 40 5.651 5.628 9.370 1.00 0.00 H new ATOM 0 HG3 GLN B 40 5.335 5.636 11.094 1.00 0.00 H new ATOM 0 HE21 GLN B 40 5.709 7.630 12.239 1.00 0.00 H new ATOM 0 HE22 GLN B 40 6.005 9.131 11.355 1.00 0.00 H new ATOM 1785 N GLN B 41 7.982 3.033 8.070 1.00 0.00 N ATOM 1786 CA GLN B 41 7.760 2.838 6.649 1.00 0.00 C ATOM 1787 C GLN B 41 7.471 1.381 6.315 1.00 0.00 C ATOM 1788 O GLN B 41 8.221 0.481 6.698 1.00 0.00 O ATOM 1789 CB GLN B 41 8.966 3.317 5.849 1.00 0.00 C ATOM 1790 CG GLN B 41 9.274 4.790 6.037 1.00 0.00 C ATOM 1791 CD GLN B 41 10.482 5.233 5.241 1.00 0.00 C ATOM 1792 OE1 GLN B 41 10.365 5.622 4.086 1.00 0.00 O ATOM 1793 NE2 GLN B 41 11.650 5.193 5.863 1.00 0.00 N ATOM 0 H GLN B 41 8.911 2.770 8.399 1.00 0.00 H new ATOM 0 HA GLN B 41 6.885 3.428 6.376 1.00 0.00 H new ATOM 0 HB2 GLN B 41 9.839 2.732 6.139 1.00 0.00 H new ATOM 0 HB3 GLN B 41 8.790 3.124 4.791 1.00 0.00 H new ATOM 0 HG2 GLN B 41 8.408 5.381 5.737 1.00 0.00 H new ATOM 0 HG3 GLN B 41 9.446 4.990 7.095 1.00 0.00 H new ATOM 0 HE21 GLN B 41 11.704 4.862 6.826 1.00 0.00 H new ATOM 0 HE22 GLN B 41 12.496 5.493 5.379 1.00 0.00 H new ATOM 1802 N ARG B 42 6.373 1.159 5.609 1.00 0.00 N ATOM 1803 CA ARG B 42 6.051 -0.154 5.078 1.00 0.00 C ATOM 1804 C ARG B 42 6.014 -0.073 3.554 1.00 0.00 C ATOM 1805 O ARG B 42 5.163 0.607 2.978 1.00 0.00 O ATOM 1806 CB ARG B 42 4.707 -0.653 5.631 1.00 0.00 C ATOM 1807 CG ARG B 42 4.674 -0.752 7.149 1.00 0.00 C ATOM 1808 CD ARG B 42 3.292 -1.127 7.668 1.00 0.00 C ATOM 1809 NE ARG B 42 2.896 -2.479 7.276 1.00 0.00 N ATOM 1810 CZ ARG B 42 1.808 -3.105 7.734 1.00 0.00 C ATOM 1811 NH1 ARG B 42 1.026 -2.527 8.639 1.00 0.00 N ATOM 1812 NH2 ARG B 42 1.515 -4.320 7.302 1.00 0.00 N ATOM 0 H ARG B 42 5.685 1.879 5.390 1.00 0.00 H new ATOM 0 HA ARG B 42 6.815 -0.868 5.386 1.00 0.00 H new ATOM 0 HB2 ARG B 42 3.915 0.020 5.301 1.00 0.00 H new ATOM 0 HB3 ARG B 42 4.490 -1.633 5.206 1.00 0.00 H new ATOM 0 HG2 ARG B 42 5.399 -1.496 7.479 1.00 0.00 H new ATOM 0 HG3 ARG B 42 4.977 0.202 7.581 1.00 0.00 H new ATOM 0 HD2 ARG B 42 3.282 -1.050 8.755 1.00 0.00 H new ATOM 0 HD3 ARG B 42 2.560 -0.413 7.291 1.00 0.00 H new ATOM 0 HE ARG B 42 3.488 -2.976 6.610 1.00 0.00 H new ATOM 0 HH11 ARG B 42 1.254 -1.597 8.991 1.00 0.00 H new ATOM 0 HH12 ARG B 42 0.198 -3.013 8.982 1.00 0.00 H new ATOM 0 HH21 ARG B 42 2.119 -4.778 6.620 1.00 0.00 H new ATOM 0 HH22 ARG B 42 0.685 -4.799 7.651 1.00 0.00 H new ATOM 1826 N LEU B 43 6.964 -0.735 2.911 1.00 0.00 N ATOM 1827 CA LEU B 43 7.084 -0.681 1.461 1.00 0.00 C ATOM 1828 C LEU B 43 6.246 -1.770 0.808 1.00 0.00 C ATOM 1829 O LEU B 43 6.377 -2.945 1.141 1.00 0.00 O ATOM 1830 CB LEU B 43 8.548 -0.827 1.044 1.00 0.00 C ATOM 1831 CG LEU B 43 9.464 0.323 1.466 1.00 0.00 C ATOM 1832 CD1 LEU B 43 10.912 0.003 1.129 1.00 0.00 C ATOM 1833 CD2 LEU B 43 9.036 1.617 0.789 1.00 0.00 C ATOM 0 H LEU B 43 7.664 -1.317 3.371 1.00 0.00 H new ATOM 0 HA LEU B 43 6.714 0.288 1.125 1.00 0.00 H new ATOM 0 HB2 LEU B 43 8.938 -1.754 1.465 1.00 0.00 H new ATOM 0 HB3 LEU B 43 8.592 -0.926 -0.041 1.00 0.00 H new ATOM 0 HG LEU B 43 9.381 0.451 2.545 1.00 0.00 H new ATOM 0 HD11 LEU B 43 11.549 0.832 1.436 1.00 0.00 H new ATOM 0 HD12 LEU B 43 11.216 -0.902 1.654 1.00 0.00 H new ATOM 0 HD13 LEU B 43 11.010 -0.151 0.054 1.00 0.00 H new ATOM 0 HD21 LEU B 43 9.697 2.426 1.099 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.092 1.497 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU B 43 8.012 1.856 1.075 1.00 0.00 H new ATOM 1845 N ILE B 44 5.375 -1.370 -0.107 1.00 0.00 N ATOM 1846 CA ILE B 44 4.550 -2.316 -0.842 1.00 0.00 C ATOM 1847 C ILE B 44 4.958 -2.349 -2.313 1.00 0.00 C ATOM 1848 O ILE B 44 4.976 -1.315 -2.988 1.00 0.00 O ATOM 1849 CB ILE B 44 3.037 -1.978 -0.747 1.00 0.00 C ATOM 1850 CG1 ILE B 44 2.488 -2.222 0.668 1.00 0.00 C ATOM 1851 CG2 ILE B 44 2.244 -2.792 -1.759 1.00 0.00 C ATOM 1852 CD1 ILE B 44 2.862 -1.157 1.675 1.00 0.00 C ATOM 0 H ILE B 44 5.222 -0.393 -0.358 1.00 0.00 H new ATOM 0 HA ILE B 44 4.711 -3.292 -0.384 1.00 0.00 H new ATOM 0 HB ILE B 44 2.925 -0.918 -0.973 1.00 0.00 H new ATOM 0 HG12 ILE B 44 1.401 -2.290 0.616 1.00 0.00 H new ATOM 0 HG13 ILE B 44 2.852 -3.186 1.025 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.186 -2.542 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.595 -2.563 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.382 -3.855 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE B 44 2.434 -1.408 2.646 1.00 0.00 H new ATOM 0 HD12 ILE B 44 3.947 -1.102 1.760 1.00 0.00 H new ATOM 0 HD13 ILE B 44 2.475 -0.193 1.346 1.00 0.00 H new ATOM 1864 N PHE B 45 5.286 -3.537 -2.799 1.00 0.00 N ATOM 1865 CA PHE B 45 5.628 -3.724 -4.198 1.00 0.00 C ATOM 1866 C PHE B 45 4.704 -4.762 -4.827 1.00 0.00 C ATOM 1867 O PHE B 45 4.735 -5.934 -4.452 1.00 0.00 O ATOM 1868 CB PHE B 45 7.089 -4.156 -4.337 1.00 0.00 C ATOM 1869 CG PHE B 45 7.540 -4.305 -5.762 1.00 0.00 C ATOM 1870 CD1 PHE B 45 7.651 -3.197 -6.585 1.00 0.00 C ATOM 1871 CD2 PHE B 45 7.847 -5.554 -6.280 1.00 0.00 C ATOM 1872 CE1 PHE B 45 8.062 -3.329 -7.895 1.00 0.00 C ATOM 1873 CE2 PHE B 45 8.259 -5.691 -7.591 1.00 0.00 C ATOM 1874 CZ PHE B 45 8.366 -4.577 -8.399 1.00 0.00 C ATOM 0 H PHE B 45 5.322 -4.389 -2.240 1.00 0.00 H new ATOM 0 HA PHE B 45 5.499 -2.776 -4.721 1.00 0.00 H new ATOM 0 HB2 PHE B 45 7.724 -3.424 -3.838 1.00 0.00 H new ATOM 0 HB3 PHE B 45 7.229 -5.105 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE B 45 7.413 -2.218 -6.197 1.00 0.00 H new ATOM 0 HD2 PHE B 45 7.763 -6.429 -5.652 1.00 0.00 H new ATOM 0 HE1 PHE B 45 8.146 -2.456 -8.526 1.00 0.00 H new ATOM 0 HE2 PHE B 45 8.497 -6.669 -7.984 1.00 0.00 H new ATOM 0 HZ PHE B 45 8.687 -4.682 -9.425 1.00 0.00 H new ATOM 1884 N ALA B 46 3.862 -4.309 -5.758 1.00 0.00 N ATOM 1885 CA ALA B 46 2.904 -5.174 -6.459 1.00 0.00 C ATOM 1886 C ALA B 46 1.913 -5.834 -5.496 1.00 0.00 C ATOM 1887 O ALA B 46 1.226 -6.791 -5.852 1.00 0.00 O ATOM 1888 CB ALA B 46 3.638 -6.229 -7.282 1.00 0.00 C ATOM 0 H ALA B 46 3.823 -3.332 -6.049 1.00 0.00 H new ATOM 0 HA ALA B 46 2.327 -4.540 -7.132 1.00 0.00 H new ATOM 0 HB1 ALA B 46 2.912 -6.861 -7.794 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.275 -5.738 -8.018 1.00 0.00 H new ATOM 0 HB3 ALA B 46 4.252 -6.843 -6.623 1.00 0.00 H new ATOM 1894 N GLY B 47 1.822 -5.300 -4.286 1.00 0.00 N ATOM 1895 CA GLY B 47 0.908 -5.847 -3.303 1.00 0.00 C ATOM 1896 C GLY B 47 1.627 -6.631 -2.222 1.00 0.00 C ATOM 1897 O GLY B 47 1.036 -6.978 -1.200 1.00 0.00 O ATOM 0 H GLY B 47 2.365 -4.497 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY B 47 0.342 -5.036 -2.845 1.00 0.00 H new ATOM 0 HA3 GLY B 47 0.188 -6.496 -3.801 1.00 0.00 H new ATOM 1901 N LYS B 48 2.901 -6.917 -2.450 1.00 0.00 N ATOM 1902 CA LYS B 48 3.700 -7.658 -1.486 1.00 0.00 C ATOM 1903 C LYS B 48 4.464 -6.693 -0.587 1.00 0.00 C ATOM 1904 O LYS B 48 4.994 -5.684 -1.058 1.00 0.00 O ATOM 1905 CB LYS B 48 4.669 -8.598 -2.213 1.00 0.00 C ATOM 1906 CG LYS B 48 5.575 -9.392 -1.282 1.00 0.00 C ATOM 1907 CD LYS B 48 6.433 -10.389 -2.047 1.00 0.00 C ATOM 1908 CE LYS B 48 7.351 -9.703 -3.049 1.00 0.00 C ATOM 1909 NZ LYS B 48 8.218 -10.679 -3.757 1.00 0.00 N ATOM 0 H LYS B 48 3.403 -6.647 -3.295 1.00 0.00 H new ATOM 0 HA LYS B 48 3.036 -8.259 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.094 -9.293 -2.825 1.00 0.00 H new ATOM 0 HB3 LYS B 48 5.287 -8.011 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS B 48 6.218 -8.707 -0.729 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.968 -9.922 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS B 48 7.032 -10.966 -1.343 1.00 0.00 H new ATOM 0 HD3 LYS B 48 5.788 -11.095 -2.571 1.00 0.00 H new ATOM 0 HE2 LYS B 48 6.752 -9.155 -3.776 1.00 0.00 H new ATOM 0 HE3 LYS B 48 7.973 -8.972 -2.532 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.002 -10.176 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 8.601 -11.363 -3.073 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 7.659 -11.183 -4.475 1.00 0.00 H new ATOM 1923 N GLN B 49 4.512 -6.998 0.702 1.00 0.00 N ATOM 1924 CA GLN B 49 5.167 -6.126 1.664 1.00 0.00 C ATOM 1925 C GLN B 49 6.657 -6.422 1.751 1.00 0.00 C ATOM 1926 O GLN B 49 7.075 -7.579 1.777 1.00 0.00 O ATOM 1927 CB GLN B 49 4.533 -6.272 3.048 1.00 0.00 C ATOM 1928 CG GLN B 49 5.254 -5.472 4.122 1.00 0.00 C ATOM 1929 CD GLN B 49 4.596 -5.577 5.478 1.00 0.00 C ATOM 1930 OE1 GLN B 49 3.741 -4.768 5.824 1.00 0.00 O ATOM 1931 NE2 GLN B 49 4.996 -6.569 6.256 1.00 0.00 N ATOM 0 H GLN B 49 4.105 -7.842 1.105 1.00 0.00 H new ATOM 0 HA GLN B 49 5.035 -5.101 1.318 1.00 0.00 H new ATOM 0 HB2 GLN B 49 3.493 -5.950 3.000 1.00 0.00 H new ATOM 0 HB3 GLN B 49 4.528 -7.325 3.330 1.00 0.00 H new ATOM 0 HG2 GLN B 49 6.284 -5.820 4.196 1.00 0.00 H new ATOM 0 HG3 GLN B 49 5.292 -4.425 3.823 1.00 0.00 H new ATOM 0 HE21 GLN B 49 5.710 -7.219 5.927 1.00 0.00 H new ATOM 0 HE22 GLN B 49 4.590 -6.684 7.185 1.00 0.00 H new ATOM 1940 N LEU B 50 7.450 -5.364 1.785 1.00 0.00 N ATOM 1941 CA LEU B 50 8.887 -5.481 1.958 1.00 0.00 C ATOM 1942 C LEU B 50 9.256 -5.318 3.426 1.00 0.00 C ATOM 1943 O LEU B 50 9.260 -4.204 3.953 1.00 0.00 O ATOM 1944 CB LEU B 50 9.626 -4.430 1.125 1.00 0.00 C ATOM 1945 CG LEU B 50 9.716 -4.702 -0.380 1.00 0.00 C ATOM 1946 CD1 LEU B 50 8.342 -4.707 -1.031 1.00 0.00 C ATOM 1947 CD2 LEU B 50 10.604 -3.661 -1.034 1.00 0.00 C ATOM 0 H LEU B 50 7.117 -4.404 1.694 1.00 0.00 H new ATOM 0 HA LEU B 50 9.187 -6.472 1.617 1.00 0.00 H new ATOM 0 HB2 LEU B 50 9.133 -3.469 1.271 1.00 0.00 H new ATOM 0 HB3 LEU B 50 10.638 -4.332 1.517 1.00 0.00 H new ATOM 0 HG LEU B 50 10.150 -5.692 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU B 50 8.446 -4.903 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU B 50 7.727 -5.484 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU B 50 7.867 -3.737 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU B 50 10.666 -3.857 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU B 50 10.183 -2.669 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU B 50 11.602 -3.708 -0.598 1.00 0.00 H new ATOM 1959 N GLU B 51 9.537 -6.429 4.087 1.00 0.00 N ATOM 1960 CA GLU B 51 9.974 -6.408 5.474 1.00 0.00 C ATOM 1961 C GLU B 51 11.459 -6.077 5.535 1.00 0.00 C ATOM 1962 O GLU B 51 12.246 -6.603 4.742 1.00 0.00 O ATOM 1963 CB GLU B 51 9.729 -7.769 6.123 1.00 0.00 C ATOM 1964 CG GLU B 51 8.319 -8.298 5.933 1.00 0.00 C ATOM 1965 CD GLU B 51 8.186 -9.734 6.383 1.00 0.00 C ATOM 1966 OE1 GLU B 51 8.506 -10.640 5.585 1.00 0.00 O ATOM 1967 OE2 GLU B 51 7.774 -9.963 7.540 1.00 0.00 O ATOM 0 H GLU B 51 9.470 -7.363 3.682 1.00 0.00 H new ATOM 0 HA GLU B 51 9.407 -5.649 6.013 1.00 0.00 H new ATOM 0 HB2 GLU B 51 10.435 -8.489 5.710 1.00 0.00 H new ATOM 0 HB3 GLU B 51 9.937 -7.694 7.190 1.00 0.00 H new ATOM 0 HG2 GLU B 51 7.620 -7.677 6.493 1.00 0.00 H new ATOM 0 HG3 GLU B 51 8.042 -8.221 4.882 1.00 0.00 H new ATOM 1974 N ASP B 52 11.844 -5.207 6.458 1.00 0.00 N ATOM 1975 CA ASP B 52 13.247 -4.836 6.596 1.00 0.00 C ATOM 1976 C ASP B 52 14.042 -5.985 7.199 1.00 0.00 C ATOM 1977 O ASP B 52 13.596 -6.634 8.141 1.00 0.00 O ATOM 1978 CB ASP B 52 13.416 -3.562 7.435 1.00 0.00 C ATOM 1979 CG ASP B 52 12.937 -3.712 8.862 1.00 0.00 C ATOM 1980 OD1 ASP B 52 11.743 -3.456 9.113 1.00 0.00 O ATOM 1981 OD2 ASP B 52 13.747 -4.074 9.737 1.00 0.00 O ATOM 0 H ASP B 52 11.214 -4.749 7.116 1.00 0.00 H new ATOM 0 HA ASP B 52 13.635 -4.625 5.599 1.00 0.00 H new ATOM 0 HB2 ASP B 52 14.468 -3.277 7.441 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.868 -2.748 6.960 1.00 0.00 H new ATOM 1986 N GLY B 53 15.206 -6.243 6.626 1.00 0.00 N ATOM 1987 CA GLY B 53 16.030 -7.344 7.073 1.00 0.00 C ATOM 1988 C GLY B 53 16.566 -8.138 5.903 1.00 0.00 C ATOM 1989 O GLY B 53 17.744 -8.485 5.866 1.00 0.00 O ATOM 0 H GLY B 53 15.597 -5.705 5.853 1.00 0.00 H new ATOM 0 HA2 GLY B 53 16.860 -6.962 7.667 1.00 0.00 H new ATOM 0 HA3 GLY B 53 15.447 -7.997 7.722 1.00 0.00 H new ATOM 1993 N ARG B 54 15.699 -8.413 4.937 1.00 0.00 N ATOM 1994 CA ARG B 54 16.103 -9.127 3.732 1.00 0.00 C ATOM 1995 C ARG B 54 16.554 -8.146 2.655 1.00 0.00 C ATOM 1996 O ARG B 54 16.461 -6.930 2.842 1.00 0.00 O ATOM 1997 CB ARG B 54 14.963 -10.009 3.216 1.00 0.00 C ATOM 1998 CG ARG B 54 14.685 -11.211 4.103 1.00 0.00 C ATOM 1999 CD ARG B 54 13.727 -12.193 3.448 1.00 0.00 C ATOM 2000 NE ARG B 54 12.332 -11.757 3.511 1.00 0.00 N ATOM 2001 CZ ARG B 54 11.333 -12.370 2.873 1.00 0.00 C ATOM 2002 NH1 ARG B 54 11.596 -13.376 2.044 1.00 0.00 N ATOM 2003 NH2 ARG B 54 10.078 -11.967 3.058 1.00 0.00 N ATOM 0 H ARG B 54 14.713 -8.153 4.964 1.00 0.00 H new ATOM 0 HA ARG B 54 16.945 -9.773 3.983 1.00 0.00 H new ATOM 0 HB2 ARG B 54 14.057 -9.409 3.135 1.00 0.00 H new ATOM 0 HB3 ARG B 54 15.207 -10.356 2.212 1.00 0.00 H new ATOM 0 HG2 ARG B 54 15.623 -11.717 4.332 1.00 0.00 H new ATOM 0 HG3 ARG B 54 14.266 -10.873 5.051 1.00 0.00 H new ATOM 0 HD2 ARG B 54 14.013 -12.330 2.405 1.00 0.00 H new ATOM 0 HD3 ARG B 54 13.821 -13.164 3.935 1.00 0.00 H new ATOM 0 HE ARG B 54 12.110 -10.937 4.075 1.00 0.00 H new ATOM 0 HH11 ARG B 54 12.559 -13.677 1.897 1.00 0.00 H new ATOM 0 HH12 ARG B 54 10.834 -13.846 1.555 1.00 0.00 H new ATOM 0 HH21 ARG B 54 9.880 -11.189 3.688 1.00 0.00 H new ATOM 0 HH22 ARG B 54 9.315 -12.436 2.570 1.00 0.00 H new ATOM 2017 N THR B 55 17.038 -8.667 1.535 1.00 0.00 N ATOM 2018 CA THR B 55 17.563 -7.824 0.470 1.00 0.00 C ATOM 2019 C THR B 55 16.507 -7.566 -0.600 1.00 0.00 C ATOM 2020 O THR B 55 15.432 -8.168 -0.584 1.00 0.00 O ATOM 2021 CB THR B 55 18.797 -8.464 -0.201 1.00 0.00 C ATOM 2022 OG1 THR B 55 18.426 -9.693 -0.841 1.00 0.00 O ATOM 2023 CG2 THR B 55 19.896 -8.729 0.816 1.00 0.00 C ATOM 0 H THR B 55 17.078 -9.668 1.341 1.00 0.00 H new ATOM 0 HA THR B 55 17.853 -6.881 0.933 1.00 0.00 H new ATOM 0 HB THR B 55 19.177 -7.765 -0.946 1.00 0.00 H new ATOM 0 HG1 THR B 55 18.032 -10.300 -0.180 1.00 0.00 H new ATOM 0 HG21 THR B 55 20.753 -9.180 0.316 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.198 -7.789 1.278 1.00 0.00 H new ATOM 0 HG23 THR B 55 19.525 -9.408 1.584 1.00 0.00 H new ATOM 2031 N LEU B 56 16.825 -6.668 -1.526 1.00 0.00 N ATOM 2032 CA LEU B 56 15.963 -6.404 -2.671 1.00 0.00 C ATOM 2033 C LEU B 56 15.873 -7.642 -3.559 1.00 0.00 C ATOM 2034 O LEU B 56 14.862 -7.875 -4.228 1.00 0.00 O ATOM 2035 CB LEU B 56 16.510 -5.219 -3.474 1.00 0.00 C ATOM 2036 CG LEU B 56 16.562 -3.890 -2.718 1.00 0.00 C ATOM 2037 CD1 LEU B 56 17.232 -2.827 -3.567 1.00 0.00 C ATOM 2038 CD2 LEU B 56 15.165 -3.445 -2.317 1.00 0.00 C ATOM 0 H LEU B 56 17.678 -6.109 -1.505 1.00 0.00 H new ATOM 0 HA LEU B 56 14.964 -6.158 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU B 56 17.516 -5.465 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.895 -5.089 -4.364 1.00 0.00 H new ATOM 0 HG LEU B 56 17.149 -4.034 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU B 56 17.262 -1.887 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU B 56 18.248 -3.140 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU B 56 16.668 -2.689 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU B 56 15.225 -2.498 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU B 56 14.553 -3.318 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU B 56 14.714 -4.199 -1.672 1.00 0.00 H new ATOM 2050 N SER B 57 16.937 -8.440 -3.540 1.00 0.00 N ATOM 2051 CA SER B 57 17.004 -9.672 -4.315 1.00 0.00 C ATOM 2052 C SER B 57 15.985 -10.686 -3.800 1.00 0.00 C ATOM 2053 O SER B 57 15.329 -11.377 -4.584 1.00 0.00 O ATOM 2054 CB SER B 57 18.422 -10.254 -4.235 1.00 0.00 C ATOM 2055 OG SER B 57 18.557 -11.426 -5.027 1.00 0.00 O ATOM 0 H SER B 57 17.774 -8.250 -2.988 1.00 0.00 H new ATOM 0 HA SER B 57 16.766 -9.449 -5.355 1.00 0.00 H new ATOM 0 HB2 SER B 57 19.141 -9.506 -4.568 1.00 0.00 H new ATOM 0 HB3 SER B 57 18.661 -10.487 -3.197 1.00 0.00 H new ATOM 0 HG SER B 57 19.473 -11.767 -4.953 1.00 0.00 H new ATOM 2061 N ASP B 58 15.839 -10.749 -2.479 1.00 0.00 N ATOM 2062 CA ASP B 58 14.933 -11.700 -1.837 1.00 0.00 C ATOM 2063 C ASP B 58 13.496 -11.496 -2.298 1.00 0.00 C ATOM 2064 O ASP B 58 12.757 -12.459 -2.517 1.00 0.00 O ATOM 2065 CB ASP B 58 15.002 -11.571 -0.311 1.00 0.00 C ATOM 2066 CG ASP B 58 16.286 -12.126 0.271 1.00 0.00 C ATOM 2067 OD1 ASP B 58 16.459 -13.362 0.257 1.00 0.00 O ATOM 2068 OD2 ASP B 58 17.122 -11.329 0.754 1.00 0.00 O ATOM 0 H ASP B 58 16.341 -10.147 -1.826 1.00 0.00 H new ATOM 0 HA ASP B 58 15.254 -12.700 -2.129 1.00 0.00 H new ATOM 0 HB2 ASP B 58 14.909 -10.520 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP B 58 14.153 -12.093 0.131 1.00 0.00 H new ATOM 2073 N TYR B 59 13.104 -10.240 -2.457 1.00 0.00 N ATOM 2074 CA TYR B 59 11.739 -9.911 -2.850 1.00 0.00 C ATOM 2075 C TYR B 59 11.598 -9.872 -4.366 1.00 0.00 C ATOM 2076 O TYR B 59 10.527 -9.545 -4.887 1.00 0.00 O ATOM 2077 CB TYR B 59 11.314 -8.579 -2.230 1.00 0.00 C ATOM 2078 CG TYR B 59 11.279 -8.619 -0.721 1.00 0.00 C ATOM 2079 CD1 TYR B 59 12.401 -8.297 0.026 1.00 0.00 C ATOM 2080 CD2 TYR B 59 10.129 -9.004 -0.043 1.00 0.00 C ATOM 2081 CE1 TYR B 59 12.383 -8.358 1.403 1.00 0.00 C ATOM 2082 CE2 TYR B 59 10.102 -9.062 1.336 1.00 0.00 C ATOM 2083 CZ TYR B 59 11.233 -8.740 2.054 1.00 0.00 C ATOM 2084 OH TYR B 59 11.216 -8.811 3.426 1.00 0.00 O ATOM 0 H TYR B 59 13.711 -9.431 -2.320 1.00 0.00 H new ATOM 0 HA TYR B 59 11.079 -10.694 -2.476 1.00 0.00 H new ATOM 0 HB2 TYR B 59 12.003 -7.798 -2.552 1.00 0.00 H new ATOM 0 HB3 TYR B 59 10.327 -8.308 -2.604 1.00 0.00 H new ATOM 0 HD1 TYR B 59 13.306 -7.993 -0.480 1.00 0.00 H new ATOM 0 HD2 TYR B 59 9.243 -9.262 -0.603 1.00 0.00 H new ATOM 0 HE1 TYR B 59 13.268 -8.107 1.968 1.00 0.00 H new ATOM 0 HE2 TYR B 59 9.199 -9.358 1.849 1.00 0.00 H new ATOM 0 HH TYR B 59 11.599 -7.990 3.801 1.00 0.00 H new ATOM 2094 N ASN B 60 12.683 -10.217 -5.056 1.00 0.00 N ATOM 2095 CA ASN B 60 12.698 -10.339 -6.513 1.00 0.00 C ATOM 2096 C ASN B 60 12.358 -9.011 -7.182 1.00 0.00 C ATOM 2097 O ASN B 60 11.606 -8.960 -8.155 1.00 0.00 O ATOM 2098 CB ASN B 60 11.718 -11.427 -6.964 1.00 0.00 C ATOM 2099 CG ASN B 60 12.214 -12.176 -8.185 1.00 0.00 C ATOM 2100 OD1 ASN B 60 11.978 -11.769 -9.323 1.00 0.00 O ATOM 2101 ND2 ASN B 60 12.892 -13.289 -7.955 1.00 0.00 N ATOM 0 H ASN B 60 13.581 -10.421 -4.618 1.00 0.00 H new ATOM 0 HA ASN B 60 13.706 -10.621 -6.817 1.00 0.00 H new ATOM 0 HB2 ASN B 60 11.560 -12.132 -6.148 1.00 0.00 H new ATOM 0 HB3 ASN B 60 10.752 -10.974 -7.186 1.00 0.00 H new ATOM 0 HD21 ASN B 60 13.241 -13.845 -8.736 1.00 0.00 H new ATOM 0 HD22 ASN B 60 13.066 -13.591 -6.996 1.00 0.00 H new ATOM 2108 N ILE B 61 12.933 -7.937 -6.663 1.00 0.00 N ATOM 2109 CA ILE B 61 12.686 -6.607 -7.200 1.00 0.00 C ATOM 2110 C ILE B 61 13.558 -6.353 -8.428 1.00 0.00 C ATOM 2111 O ILE B 61 14.757 -6.628 -8.413 1.00 0.00 O ATOM 2112 CB ILE B 61 12.948 -5.529 -6.130 1.00 0.00 C ATOM 2113 CG1 ILE B 61 12.070 -5.789 -4.903 1.00 0.00 C ATOM 2114 CG2 ILE B 61 12.683 -4.140 -6.692 1.00 0.00 C ATOM 2115 CD1 ILE B 61 12.320 -4.828 -3.767 1.00 0.00 C ATOM 0 H ILE B 61 13.574 -7.960 -5.870 1.00 0.00 H new ATOM 0 HA ILE B 61 11.639 -6.552 -7.498 1.00 0.00 H new ATOM 0 HB ILE B 61 13.995 -5.579 -5.831 1.00 0.00 H new ATOM 0 HG12 ILE B 61 11.022 -5.727 -5.197 1.00 0.00 H new ATOM 0 HG13 ILE B 61 12.243 -6.806 -4.552 1.00 0.00 H new ATOM 0 HG21 ILE B 61 12.874 -3.393 -5.921 1.00 0.00 H new ATOM 0 HG22 ILE B 61 13.341 -3.960 -7.542 1.00 0.00 H new ATOM 0 HG23 ILE B 61 11.644 -4.070 -7.016 1.00 0.00 H new ATOM 0 HD11 ILE B 61 11.663 -5.072 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE B 61 13.359 -4.906 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE B 61 12.119 -3.810 -4.101 1.00 0.00 H new ATOM 2127 N GLN B 62 12.946 -5.843 -9.492 1.00 0.00 N ATOM 2128 CA GLN B 62 13.656 -5.603 -10.741 1.00 0.00 C ATOM 2129 C GLN B 62 14.065 -4.137 -10.870 1.00 0.00 C ATOM 2130 O GLN B 62 13.699 -3.305 -10.038 1.00 0.00 O ATOM 2131 CB GLN B 62 12.792 -6.019 -11.935 1.00 0.00 C ATOM 2132 CG GLN B 62 12.444 -7.500 -11.949 1.00 0.00 C ATOM 2133 CD GLN B 62 11.730 -7.924 -13.218 1.00 0.00 C ATOM 2134 OE1 GLN B 62 12.364 -8.309 -14.200 1.00 0.00 O ATOM 2135 NE2 GLN B 62 10.409 -7.867 -13.203 1.00 0.00 N ATOM 0 H GLN B 62 11.959 -5.588 -9.513 1.00 0.00 H new ATOM 0 HA GLN B 62 14.562 -6.208 -10.733 1.00 0.00 H new ATOM 0 HB2 GLN B 62 11.870 -5.438 -11.925 1.00 0.00 H new ATOM 0 HB3 GLN B 62 13.317 -5.769 -12.857 1.00 0.00 H new ATOM 0 HG2 GLN B 62 13.358 -8.084 -11.839 1.00 0.00 H new ATOM 0 HG3 GLN B 62 11.814 -7.729 -11.089 1.00 0.00 H new ATOM 0 HE21 GLN B 62 9.922 -7.542 -12.368 1.00 0.00 H new ATOM 0 HE22 GLN B 62 9.877 -8.148 -14.027 1.00 0.00 H new ATOM 2144 N LYS B 63 14.824 -3.834 -11.917 1.00 0.00 N ATOM 2145 CA LYS B 63 15.332 -2.484 -12.147 1.00 0.00 C ATOM 2146 C LYS B 63 14.194 -1.542 -12.537 1.00 0.00 C ATOM 2147 O LYS B 63 13.235 -1.972 -13.184 1.00 0.00 O ATOM 2148 CB LYS B 63 16.367 -2.494 -13.278 1.00 0.00 C ATOM 2149 CG LYS B 63 17.353 -3.654 -13.227 1.00 0.00 C ATOM 2150 CD LYS B 63 18.306 -3.550 -12.052 1.00 0.00 C ATOM 2151 CE LYS B 63 19.243 -4.745 -11.995 1.00 0.00 C ATOM 2152 NZ LYS B 63 20.307 -4.574 -10.969 1.00 0.00 N ATOM 0 H LYS B 63 15.104 -4.511 -12.627 1.00 0.00 H new ATOM 0 HA LYS B 63 15.794 -2.136 -11.223 1.00 0.00 H new ATOM 0 HB2 LYS B 63 15.842 -2.523 -14.233 1.00 0.00 H new ATOM 0 HB3 LYS B 63 16.926 -1.558 -13.250 1.00 0.00 H new ATOM 0 HG2 LYS B 63 16.803 -4.593 -13.163 1.00 0.00 H new ATOM 0 HG3 LYS B 63 17.925 -3.682 -14.154 1.00 0.00 H new ATOM 0 HD2 LYS B 63 18.888 -2.632 -12.133 1.00 0.00 H new ATOM 0 HD3 LYS B 63 17.737 -3.486 -11.124 1.00 0.00 H new ATOM 0 HE2 LYS B 63 18.669 -5.645 -11.775 1.00 0.00 H new ATOM 0 HE3 LYS B 63 19.703 -4.892 -12.972 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 21.168 -5.069 -11.276 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 20.514 -3.562 -10.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 19.983 -4.971 -10.064 1.00 0.00 H new ATOM 2166 N GLU B 64 14.304 -0.265 -12.140 1.00 0.00 N ATOM 2167 CA GLU B 64 13.357 0.774 -12.555 1.00 0.00 C ATOM 2168 C GLU B 64 11.962 0.478 -12.012 1.00 0.00 C ATOM 2169 O GLU B 64 10.948 0.900 -12.578 1.00 0.00 O ATOM 2170 CB GLU B 64 13.317 0.901 -14.085 1.00 0.00 C ATOM 2171 CG GLU B 64 14.690 0.992 -14.742 1.00 0.00 C ATOM 2172 CD GLU B 64 15.579 2.058 -14.131 1.00 0.00 C ATOM 2173 OE1 GLU B 64 15.324 3.260 -14.360 1.00 0.00 O ATOM 2174 OE2 GLU B 64 16.551 1.695 -13.436 1.00 0.00 O ATOM 0 H GLU B 64 15.047 0.072 -11.527 1.00 0.00 H new ATOM 0 HA GLU B 64 13.698 1.723 -12.141 1.00 0.00 H new ATOM 0 HB2 GLU B 64 12.787 0.042 -14.496 1.00 0.00 H new ATOM 0 HB3 GLU B 64 12.741 1.788 -14.350 1.00 0.00 H new ATOM 0 HG2 GLU B 64 15.187 0.025 -14.663 1.00 0.00 H new ATOM 0 HG3 GLU B 64 14.563 1.200 -15.805 1.00 0.00 H new ATOM 2181 N SER B 65 11.922 -0.225 -10.893 1.00 0.00 N ATOM 2182 CA SER B 65 10.662 -0.633 -10.291 1.00 0.00 C ATOM 2183 C SER B 65 10.007 0.519 -9.529 1.00 0.00 C ATOM 2184 O SER B 65 10.650 1.526 -9.226 1.00 0.00 O ATOM 2185 CB SER B 65 10.900 -1.826 -9.370 1.00 0.00 C ATOM 2186 OG SER B 65 12.043 -1.619 -8.560 1.00 0.00 O ATOM 0 H SER B 65 12.751 -0.527 -10.380 1.00 0.00 H new ATOM 0 HA SER B 65 9.976 -0.924 -11.086 1.00 0.00 H new ATOM 0 HB2 SER B 65 10.026 -1.983 -8.739 1.00 0.00 H new ATOM 0 HB3 SER B 65 11.030 -2.730 -9.965 1.00 0.00 H new ATOM 0 HG SER B 65 12.792 -2.145 -8.910 1.00 0.00 H new ATOM 2192 N THR B 66 8.724 0.375 -9.233 1.00 0.00 N ATOM 2193 CA THR B 66 7.987 1.405 -8.518 1.00 0.00 C ATOM 2194 C THR B 66 7.351 0.835 -7.252 1.00 0.00 C ATOM 2195 O THR B 66 6.511 -0.068 -7.313 1.00 0.00 O ATOM 2196 CB THR B 66 6.903 2.028 -9.419 1.00 0.00 C ATOM 2197 OG1 THR B 66 7.507 2.502 -10.631 1.00 0.00 O ATOM 2198 CG2 THR B 66 6.194 3.180 -8.715 1.00 0.00 C ATOM 0 H THR B 66 8.171 -0.447 -9.478 1.00 0.00 H new ATOM 0 HA THR B 66 8.693 2.185 -8.233 1.00 0.00 H new ATOM 0 HB THR B 66 6.162 1.262 -9.646 1.00 0.00 H new ATOM 0 HG1 THR B 66 6.819 2.897 -11.206 1.00 0.00 H new ATOM 0 HG21 THR B 66 5.435 3.599 -9.376 1.00 0.00 H new ATOM 0 HG22 THR B 66 5.720 2.813 -7.805 1.00 0.00 H new ATOM 0 HG23 THR B 66 6.920 3.953 -8.460 1.00 0.00 H new ATOM 2206 N LEU B 67 7.761 1.367 -6.111 1.00 0.00 N ATOM 2207 CA LEU B 67 7.282 0.892 -4.823 1.00 0.00 C ATOM 2208 C LEU B 67 6.329 1.909 -4.212 1.00 0.00 C ATOM 2209 O LEU B 67 6.518 3.112 -4.367 1.00 0.00 O ATOM 2210 CB LEU B 67 8.452 0.650 -3.859 1.00 0.00 C ATOM 2211 CG LEU B 67 9.377 -0.527 -4.193 1.00 0.00 C ATOM 2212 CD1 LEU B 67 10.241 -0.233 -5.413 1.00 0.00 C ATOM 2213 CD2 LEU B 67 10.254 -0.853 -2.998 1.00 0.00 C ATOM 0 H LEU B 67 8.430 2.135 -6.052 1.00 0.00 H new ATOM 0 HA LEU B 67 6.758 -0.050 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU B 67 9.055 1.557 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU B 67 8.045 0.492 -2.860 1.00 0.00 H new ATOM 0 HG LEU B 67 8.751 -1.388 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU B 67 10.883 -1.089 -5.619 1.00 0.00 H new ATOM 0 HD12 LEU B 67 9.601 -0.043 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU B 67 10.858 0.645 -5.219 1.00 0.00 H new ATOM 0 HD21 LEU B 67 10.908 -1.690 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU B 67 10.859 0.017 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU B 67 9.626 -1.121 -2.148 1.00 0.00 H new ATOM 2225 N HIS B 68 5.303 1.427 -3.530 1.00 0.00 N ATOM 2226 CA HIS B 68 4.368 2.310 -2.845 1.00 0.00 C ATOM 2227 C HIS B 68 4.687 2.364 -1.361 1.00 0.00 C ATOM 2228 O HIS B 68 4.846 1.332 -0.713 1.00 0.00 O ATOM 2229 CB HIS B 68 2.921 1.854 -3.040 1.00 0.00 C ATOM 2230 CG HIS B 68 2.406 2.040 -4.432 1.00 0.00 C ATOM 2231 ND1 HIS B 68 2.107 3.275 -4.965 1.00 0.00 N ATOM 2232 CD2 HIS B 68 2.127 1.137 -5.401 1.00 0.00 C ATOM 2233 CE1 HIS B 68 1.662 3.121 -6.198 1.00 0.00 C ATOM 2234 NE2 HIS B 68 1.665 1.836 -6.487 1.00 0.00 N ATOM 0 H HIS B 68 5.095 0.433 -3.435 1.00 0.00 H new ATOM 0 HA HIS B 68 4.476 3.304 -3.279 1.00 0.00 H new ATOM 0 HB2 HIS B 68 2.844 0.800 -2.773 1.00 0.00 H new ATOM 0 HB3 HIS B 68 2.281 2.405 -2.350 1.00 0.00 H new ATOM 0 HD1 HIS B 68 2.213 4.168 -4.483 1.00 0.00 H new ATOM 0 HD2 HIS B 68 2.246 0.066 -5.332 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.348 3.915 -6.859 1.00 0.00 H new ATOM 2243 N LEU B 69 4.780 3.570 -0.827 1.00 0.00 N ATOM 2244 CA LEU B 69 5.096 3.749 0.579 1.00 0.00 C ATOM 2245 C LEU B 69 3.834 3.988 1.400 1.00 0.00 C ATOM 2246 O LEU B 69 3.212 5.048 1.308 1.00 0.00 O ATOM 2247 CB LEU B 69 6.073 4.914 0.762 1.00 0.00 C ATOM 2248 CG LEU B 69 6.467 5.218 2.209 1.00 0.00 C ATOM 2249 CD1 LEU B 69 7.142 4.014 2.843 1.00 0.00 C ATOM 2250 CD2 LEU B 69 7.378 6.434 2.268 1.00 0.00 C ATOM 0 H LEU B 69 4.641 4.438 -1.345 1.00 0.00 H new ATOM 0 HA LEU B 69 5.566 2.833 0.937 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.978 4.700 0.194 1.00 0.00 H new ATOM 0 HB3 LEU B 69 5.629 5.810 0.328 1.00 0.00 H new ATOM 0 HG LEU B 69 5.561 5.439 2.773 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.415 4.250 3.872 1.00 0.00 H new ATOM 0 HD12 LEU B 69 6.457 3.166 2.834 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.039 3.761 2.279 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.648 6.636 3.304 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.281 6.241 1.688 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.859 7.298 1.854 1.00 0.00 H new ATOM 2262 N VAL B 70 3.458 2.990 2.185 1.00 0.00 N ATOM 2263 CA VAL B 70 2.354 3.113 3.124 1.00 0.00 C ATOM 2264 C VAL B 70 2.924 3.149 4.531 1.00 0.00 C ATOM 2265 O VAL B 70 3.753 2.312 4.893 1.00 0.00 O ATOM 2266 CB VAL B 70 1.348 1.950 2.986 1.00 0.00 C ATOM 2267 CG1 VAL B 70 0.210 2.097 3.986 1.00 0.00 C ATOM 2268 CG2 VAL B 70 0.799 1.881 1.567 1.00 0.00 C ATOM 0 H VAL B 70 3.908 2.075 2.189 1.00 0.00 H new ATOM 0 HA VAL B 70 1.809 4.032 2.908 1.00 0.00 H new ATOM 0 HB VAL B 70 1.875 1.020 3.200 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.486 1.266 3.870 1.00 0.00 H new ATOM 0 HG12 VAL B 70 0.613 2.094 4.999 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -0.313 3.036 3.806 1.00 0.00 H new ATOM 0 HG21 VAL B 70 0.092 1.055 1.490 1.00 0.00 H new ATOM 0 HG22 VAL B 70 0.292 2.816 1.327 1.00 0.00 H new ATOM 0 HG23 VAL B 70 1.619 1.723 0.867 1.00 0.00 H new ATOM 2278 N LEU B 71 2.517 4.128 5.314 1.00 0.00 N ATOM 2279 CA LEU B 71 3.120 4.333 6.614 1.00 0.00 C ATOM 2280 C LEU B 71 2.487 3.464 7.687 1.00 0.00 C ATOM 2281 O LEU B 71 1.311 3.097 7.614 1.00 0.00 O ATOM 2282 CB LEU B 71 3.059 5.799 7.021 1.00 0.00 C ATOM 2283 CG LEU B 71 3.920 6.737 6.175 1.00 0.00 C ATOM 2284 CD1 LEU B 71 3.976 8.101 6.820 1.00 0.00 C ATOM 2285 CD2 LEU B 71 5.329 6.183 5.989 1.00 0.00 C ATOM 0 H LEU B 71 1.777 4.789 5.075 1.00 0.00 H new ATOM 0 HA LEU B 71 4.165 4.035 6.523 1.00 0.00 H new ATOM 0 HB2 LEU B 71 2.023 6.133 6.968 1.00 0.00 H new ATOM 0 HB3 LEU B 71 3.369 5.885 8.063 1.00 0.00 H new ATOM 0 HG LEU B 71 3.463 6.821 5.189 1.00 0.00 H new ATOM 0 HD11 LEU B 71 4.591 8.766 6.213 1.00 0.00 H new ATOM 0 HD12 LEU B 71 2.968 8.509 6.897 1.00 0.00 H new ATOM 0 HD13 LEU B 71 4.410 8.015 7.816 1.00 0.00 H new ATOM 0 HD21 LEU B 71 5.915 6.874 5.383 1.00 0.00 H new ATOM 0 HD22 LEU B 71 5.804 6.062 6.963 1.00 0.00 H new ATOM 0 HD23 LEU B 71 5.277 5.216 5.488 1.00 0.00 H new ATOM 2297 N ARG B 72 3.306 3.116 8.658 1.00 0.00 N ATOM 2298 CA ARG B 72 2.869 2.423 9.849 1.00 0.00 C ATOM 2299 C ARG B 72 2.351 3.453 10.843 1.00 0.00 C ATOM 2300 O ARG B 72 2.880 4.560 10.926 1.00 0.00 O ATOM 2301 CB ARG B 72 4.047 1.629 10.434 1.00 0.00 C ATOM 2302 CG ARG B 72 3.787 0.998 11.795 1.00 0.00 C ATOM 2303 CD ARG B 72 5.034 0.294 12.307 1.00 0.00 C ATOM 2304 NE ARG B 72 4.920 -0.114 13.707 1.00 0.00 N ATOM 2305 CZ ARG B 72 5.972 -0.363 14.489 1.00 0.00 C ATOM 2306 NH1 ARG B 72 7.204 -0.226 14.009 1.00 0.00 N ATOM 2307 NH2 ARG B 72 5.792 -0.738 15.748 1.00 0.00 N ATOM 0 H ARG B 72 4.307 3.310 8.640 1.00 0.00 H new ATOM 0 HA ARG B 72 2.068 1.721 9.618 1.00 0.00 H new ATOM 0 HB2 ARG B 72 4.319 0.841 9.731 1.00 0.00 H new ATOM 0 HB3 ARG B 72 4.907 2.293 10.517 1.00 0.00 H new ATOM 0 HG2 ARG B 72 3.479 1.766 12.505 1.00 0.00 H new ATOM 0 HG3 ARG B 72 2.966 0.285 11.720 1.00 0.00 H new ATOM 0 HD2 ARG B 72 5.228 -0.585 11.692 1.00 0.00 H new ATOM 0 HD3 ARG B 72 5.892 0.957 12.195 1.00 0.00 H new ATOM 0 HE ARG B 72 3.987 -0.213 14.107 1.00 0.00 H new ATOM 0 HH11 ARG B 72 7.345 0.069 13.043 1.00 0.00 H new ATOM 0 HH12 ARG B 72 8.008 -0.416 14.607 1.00 0.00 H new ATOM 0 HH21 ARG B 72 4.848 -0.837 16.121 1.00 0.00 H new ATOM 0 HH22 ARG B 72 6.598 -0.928 16.344 1.00 0.00 H new ATOM 2321 N LEU B 73 1.328 3.093 11.597 1.00 0.00 N ATOM 2322 CA LEU B 73 0.689 4.035 12.507 1.00 0.00 C ATOM 2323 C LEU B 73 1.547 4.294 13.750 1.00 0.00 C ATOM 2324 O LEU B 73 1.126 4.990 14.675 1.00 0.00 O ATOM 2325 CB LEU B 73 -0.694 3.519 12.888 1.00 0.00 C ATOM 2326 CG LEU B 73 -1.671 3.412 11.711 1.00 0.00 C ATOM 2327 CD1 LEU B 73 -2.968 2.747 12.144 1.00 0.00 C ATOM 2328 CD2 LEU B 73 -1.945 4.789 11.122 1.00 0.00 C ATOM 0 H LEU B 73 0.920 2.158 11.600 1.00 0.00 H new ATOM 0 HA LEU B 73 0.582 4.991 11.995 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -0.589 2.537 13.349 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -1.121 4.180 13.642 1.00 0.00 H new ATOM 0 HG LEU B 73 -1.213 2.791 10.941 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -3.645 2.682 11.293 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -2.756 1.745 12.517 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -3.433 3.337 12.934 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.640 4.696 10.288 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -2.380 5.432 11.887 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -1.011 5.226 10.769 1.00 0.00 H new