USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=34 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 25 ASN : amide:sc= 0.0768 K(o=0.5,f=-1.1) USER MOD Set 1.2: B 28 SER OG : rot 32:sc= 0.421 USER MOD Set 2.1: B 7 THR OG1 : rot -78:sc= 0.981 USER MOD Set 2.2: B 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 44 MET CE :methyl -141:sc= -0.422 (180deg=-1.21!) USER MOD Set 3.2: A 53 SER OG : rot 41:sc= 1.25 USER MOD Set 4.1: A 13 TYR OH : rot -92:sc= 1.16 USER MOD Set 4.2: B 68 HIS : no HE2:sc= 0.96 K(o=2.1,f=-2.7!) USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= 0.691 (180deg=-0.519!) USER MOD Single : A 12 GLN : amide:sc= -0.624 X(o=-0.62,f=-0.58) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 84:sc= 1.05 USER MOD Single : A 20 GLN : amide:sc= -0.818 X(o=-0.82,f=-1.2) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -128: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+ 163:sc= -0.0104 (180deg=-0.153) USER MOD Single : A 39 SER OG : rot 180:sc=-0.00344 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot -39:sc= -2.9! USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 50 SER OG : rot -150:sc= 0.0213 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -3.46! C(o=-3.5!,f=-9.1!) USER MOD Single : B 1 MET CE :methyl -140:sc= 0 (180deg=-0.639) USER MOD Single : B 1 MET N :NH3+ 145:sc= 2.29 (180deg=1.51) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ -170:sc= 1.1 (180deg=1.01) USER MOD Single : B 12 THR OG1 : rot 61:sc= 0.0176 USER MOD Single : B 14 THR OG1 : rot -85:sc= 0.00575 USER MOD Single : B 19 SER OG : rot 180:sc=0.000453 USER MOD Single : B 20 SER OG : rot -92:sc= 0.0527 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : B 27 LYS NZ :NH3+ 171:sc= 1.61 (180deg=1.55) USER MOD Single : B 29 LYS NZ :NH3+ 151:sc= 1.21 (180deg=0.733) USER MOD Single : B 31 GLN : amide:sc=-0.00883 K(o=-0.0088,f=-0.65) USER MOD Single : B 33 LYS NZ :NH3+ 168:sc=-0.00351 (180deg=-0.117) USER MOD Single : B 40 GLN : amide:sc= -0.471 X(o=-0.47,f=0) USER MOD Single : B 41 GLN : amide:sc= -0.052 K(o=-0.052,f=-2.2) USER MOD Single : B 48 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0473) USER MOD Single : B 49 GLN : amide:sc= 2.62 K(o=2.6,f=-10!) USER MOD Single : B 55 THR OG1 : rot 180:sc=0.000989 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot -38:sc= 1.05 USER MOD Single : B 60 ASN : amide:sc=-0.00874 X(o=-0.0087,f=-0.16) USER MOD Single : B 62 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : B 63 LYS NZ :NH3+ 135:sc= -0.367 (180deg=-1.73) USER MOD Single : B 65 SER OG : rot 114:sc= 1.16 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 7 -18.895 4.106 1.055 1.00 0.00 N ATOM 97 CA LYS A 7 -18.411 4.240 -0.307 1.00 0.00 C ATOM 98 C LYS A 7 -18.145 2.867 -0.909 1.00 0.00 C ATOM 99 O LYS A 7 -18.002 1.880 -0.190 1.00 0.00 O ATOM 100 CB LYS A 7 -17.133 5.082 -0.341 1.00 0.00 C ATOM 101 CG LYS A 7 -17.309 6.476 0.232 1.00 0.00 C ATOM 102 CD LYS A 7 -16.019 7.277 0.159 1.00 0.00 C ATOM 103 CE LYS A 7 -16.174 8.634 0.822 1.00 0.00 C ATOM 104 NZ LYS A 7 -16.411 8.507 2.282 1.00 0.00 N ATOM 0 HA LYS A 7 -19.177 4.743 -0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -16.352 4.565 0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.788 5.163 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -18.094 6.998 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -17.636 6.405 1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.216 6.722 0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.730 7.410 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.277 9.228 0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -17.005 9.170 0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.038 9.347 2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.432 8.428 2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.929 7.657 2.639 1.00 0.00 H new ATOM 118 N ARG A 8 -18.084 2.807 -2.226 1.00 0.00 N ATOM 119 CA ARG A 8 -17.800 1.561 -2.918 1.00 0.00 C ATOM 120 C ARG A 8 -16.411 1.624 -3.530 1.00 0.00 C ATOM 121 O ARG A 8 -15.969 2.689 -3.962 1.00 0.00 O ATOM 122 CB ARG A 8 -18.844 1.305 -4.005 1.00 0.00 C ATOM 123 CG ARG A 8 -20.265 1.230 -3.478 1.00 0.00 C ATOM 124 CD ARG A 8 -21.268 1.046 -4.605 1.00 0.00 C ATOM 125 NE ARG A 8 -21.189 2.125 -5.591 1.00 0.00 N ATOM 126 CZ ARG A 8 -22.228 2.874 -5.963 1.00 0.00 C ATOM 127 NH1 ARG A 8 -23.414 2.709 -5.381 1.00 0.00 N ATOM 128 NH2 ARG A 8 -22.073 3.807 -6.897 1.00 0.00 N ATOM 0 H ARG A 8 -18.228 3.608 -2.841 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.840 0.740 -2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.783 2.099 -4.749 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.605 0.371 -4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -20.350 0.401 -2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -20.498 2.141 -2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -21.088 0.091 -5.098 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -22.275 1.006 -4.191 1.00 0.00 H new ATOM 0 HE ARG A 8 -20.284 2.316 -6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -23.530 2.008 -4.649 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -24.207 3.283 -5.667 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -21.160 3.950 -7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -22.867 4.380 -7.182 1.00 0.00 H new ATOM 142 N GLY A 9 -15.723 0.497 -3.558 1.00 0.00 N ATOM 143 CA GLY A 9 -14.395 0.464 -4.127 1.00 0.00 C ATOM 144 C GLY A 9 -14.112 -0.827 -4.864 1.00 0.00 C ATOM 145 O GLY A 9 -14.659 -1.880 -4.530 1.00 0.00 O ATOM 0 H GLY A 9 -16.060 -0.396 -3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.276 1.303 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.660 0.594 -3.333 1.00 0.00 H new ATOM 149 N ILE A 10 -13.276 -0.736 -5.881 1.00 0.00 N ATOM 150 CA ILE A 10 -12.824 -1.902 -6.618 1.00 0.00 C ATOM 151 C ILE A 10 -11.320 -2.072 -6.423 1.00 0.00 C ATOM 152 O ILE A 10 -10.532 -1.243 -6.885 1.00 0.00 O ATOM 153 CB ILE A 10 -13.135 -1.780 -8.125 1.00 0.00 C ATOM 154 CG1 ILE A 10 -14.636 -1.570 -8.340 1.00 0.00 C ATOM 155 CG2 ILE A 10 -12.658 -3.023 -8.868 1.00 0.00 C ATOM 156 CD1 ILE A 10 -15.017 -1.341 -9.786 1.00 0.00 C ATOM 0 H ILE A 10 -12.891 0.146 -6.219 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.357 -2.772 -6.234 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.603 -0.916 -8.523 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.173 -2.441 -7.966 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.963 -0.715 -7.748 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.884 -2.922 -9.929 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.582 -3.135 -8.736 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.166 -3.902 -8.471 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.095 -1.200 -9.860 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.508 -0.452 -10.160 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.722 -2.205 -10.381 1.00 0.00 H new ATOM 168 N VAL A 11 -10.925 -3.123 -5.721 1.00 0.00 N ATOM 169 CA VAL A 11 -9.515 -3.358 -5.439 1.00 0.00 C ATOM 170 C VAL A 11 -8.768 -3.806 -6.695 1.00 0.00 C ATOM 171 O VAL A 11 -9.235 -4.674 -7.436 1.00 0.00 O ATOM 172 CB VAL A 11 -9.324 -4.389 -4.306 1.00 0.00 C ATOM 173 CG1 VAL A 11 -10.130 -5.646 -4.567 1.00 0.00 C ATOM 174 CG2 VAL A 11 -7.854 -4.727 -4.129 1.00 0.00 C ATOM 0 H VAL A 11 -11.557 -3.825 -5.337 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.094 -2.410 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.689 -3.940 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.975 -6.353 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.188 -5.393 -4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.807 -6.097 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.742 -5.455 -3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.463 -5.147 -5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.300 -3.822 -3.878 1.00 0.00 H new ATOM 184 N GLN A 12 -7.608 -3.201 -6.924 1.00 0.00 N ATOM 185 CA GLN A 12 -6.845 -3.437 -8.142 1.00 0.00 C ATOM 186 C GLN A 12 -5.666 -4.378 -7.904 1.00 0.00 C ATOM 187 O GLN A 12 -5.330 -5.186 -8.767 1.00 0.00 O ATOM 188 CB GLN A 12 -6.348 -2.106 -8.706 1.00 0.00 C ATOM 189 CG GLN A 12 -7.474 -1.127 -8.999 1.00 0.00 C ATOM 190 CD GLN A 12 -8.457 -1.664 -10.019 1.00 0.00 C ATOM 191 OE1 GLN A 12 -8.087 -2.413 -10.921 1.00 0.00 O ATOM 192 NE2 GLN A 12 -9.720 -1.302 -9.871 1.00 0.00 N ATOM 0 H GLN A 12 -7.175 -2.541 -6.278 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.507 -3.918 -8.862 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.656 -1.653 -7.996 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.788 -2.292 -9.623 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.003 -0.899 -8.074 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.052 -0.191 -9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.986 -0.678 -9.109 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.429 -1.646 -10.519 1.00 0.00 H new ATOM 201 N TYR A 13 -5.044 -4.279 -6.740 1.00 0.00 N ATOM 202 CA TYR A 13 -3.863 -5.084 -6.444 1.00 0.00 C ATOM 203 C TYR A 13 -4.221 -6.281 -5.571 1.00 0.00 C ATOM 204 O TYR A 13 -5.161 -6.220 -4.780 1.00 0.00 O ATOM 205 CB TYR A 13 -2.804 -4.242 -5.728 1.00 0.00 C ATOM 206 CG TYR A 13 -2.155 -3.173 -6.580 1.00 0.00 C ATOM 207 CD1 TYR A 13 -1.012 -3.452 -7.321 1.00 0.00 C ATOM 208 CD2 TYR A 13 -2.666 -1.880 -6.625 1.00 0.00 C ATOM 209 CE1 TYR A 13 -0.397 -2.474 -8.080 1.00 0.00 C ATOM 210 CE2 TYR A 13 -2.060 -0.899 -7.385 1.00 0.00 C ATOM 211 CZ TYR A 13 -0.924 -1.200 -8.111 1.00 0.00 C ATOM 212 OH TYR A 13 -0.308 -0.219 -8.860 1.00 0.00 O ATOM 0 H TYR A 13 -5.332 -3.654 -5.987 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.464 -5.442 -7.393 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.264 -3.766 -4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.027 -4.907 -5.351 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.598 -4.449 -7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.552 -1.639 -6.056 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.493 -2.707 -8.646 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.472 0.099 -7.412 1.00 0.00 H new ATOM 0 HH TYR A 13 0.330 0.269 -8.299 1.00 0.00 H new ATOM 222 N ASP A 14 -3.464 -7.363 -5.712 1.00 0.00 N ATOM 223 CA ASP A 14 -3.635 -8.534 -4.860 1.00 0.00 C ATOM 224 C ASP A 14 -2.806 -8.375 -3.596 1.00 0.00 C ATOM 225 O ASP A 14 -1.629 -8.733 -3.562 1.00 0.00 O ATOM 226 CB ASP A 14 -3.232 -9.823 -5.583 1.00 0.00 C ATOM 227 CG ASP A 14 -4.232 -10.246 -6.637 1.00 0.00 C ATOM 228 OD1 ASP A 14 -5.250 -10.877 -6.279 1.00 0.00 O ATOM 229 OD2 ASP A 14 -4.006 -9.964 -7.831 1.00 0.00 O ATOM 0 H ASP A 14 -2.725 -7.454 -6.409 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.692 -8.610 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.257 -9.682 -6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.122 -10.624 -4.852 1.00 0.00 H new ATOM 234 N PHE A 15 -3.424 -7.820 -2.568 1.00 0.00 N ATOM 235 CA PHE A 15 -2.729 -7.495 -1.332 1.00 0.00 C ATOM 236 C PHE A 15 -2.706 -8.686 -0.380 1.00 0.00 C ATOM 237 O PHE A 15 -3.749 -9.264 -0.066 1.00 0.00 O ATOM 238 CB PHE A 15 -3.402 -6.291 -0.663 1.00 0.00 C ATOM 239 CG PHE A 15 -2.850 -5.953 0.691 1.00 0.00 C ATOM 240 CD1 PHE A 15 -1.581 -5.418 0.822 1.00 0.00 C ATOM 241 CD2 PHE A 15 -3.606 -6.168 1.832 1.00 0.00 C ATOM 242 CE1 PHE A 15 -1.074 -5.103 2.068 1.00 0.00 C ATOM 243 CE2 PHE A 15 -3.106 -5.856 3.079 1.00 0.00 C ATOM 244 CZ PHE A 15 -1.839 -5.323 3.198 1.00 0.00 C ATOM 0 H PHE A 15 -4.416 -7.583 -2.565 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.696 -7.244 -1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.297 -5.422 -1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.469 -6.491 -0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.980 -5.245 -0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.598 -6.585 1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.082 -4.686 2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.705 -6.029 3.961 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.445 -5.078 4.173 1.00 0.00 H new ATOM 254 N MET A 16 -1.511 -9.046 0.074 1.00 0.00 N ATOM 255 CA MET A 16 -1.350 -10.117 1.045 1.00 0.00 C ATOM 256 C MET A 16 -1.319 -9.523 2.449 1.00 0.00 C ATOM 257 O MET A 16 -0.500 -8.650 2.750 1.00 0.00 O ATOM 258 CB MET A 16 -0.066 -10.909 0.752 1.00 0.00 C ATOM 259 CG MET A 16 0.061 -12.219 1.524 1.00 0.00 C ATOM 260 SD MET A 16 0.543 -11.993 3.249 1.00 0.00 S ATOM 261 CE MET A 16 0.479 -13.681 3.834 1.00 0.00 C ATOM 0 H MET A 16 -0.637 -8.608 -0.218 1.00 0.00 H new ATOM 0 HA MET A 16 -2.191 -10.806 0.974 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.024 -11.126 -0.315 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.794 -10.281 0.984 1.00 0.00 H new ATOM 0 HG2 MET A 16 -0.892 -12.747 1.487 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.797 -12.853 1.029 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.752 -13.711 4.889 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.531 -14.071 3.709 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.177 -14.291 3.261 1.00 0.00 H new ATOM 271 N ALA A 17 -2.223 -9.985 3.296 1.00 0.00 N ATOM 272 CA ALA A 17 -2.369 -9.434 4.634 1.00 0.00 C ATOM 273 C ALA A 17 -1.433 -10.106 5.627 1.00 0.00 C ATOM 274 O ALA A 17 -1.460 -11.326 5.794 1.00 0.00 O ATOM 275 CB ALA A 17 -3.804 -9.578 5.099 1.00 0.00 C ATOM 0 H ALA A 17 -2.870 -10.744 3.080 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.102 -8.378 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.905 -9.163 6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.463 -9.042 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.078 -10.633 5.114 1.00 0.00 H new ATOM 281 N GLU A 18 -0.621 -9.301 6.297 1.00 0.00 N ATOM 282 CA GLU A 18 0.293 -9.806 7.309 1.00 0.00 C ATOM 283 C GLU A 18 -0.467 -10.111 8.594 1.00 0.00 C ATOM 284 O GLU A 18 -0.598 -11.269 8.993 1.00 0.00 O ATOM 285 CB GLU A 18 1.400 -8.782 7.585 1.00 0.00 C ATOM 286 CG GLU A 18 2.350 -9.176 8.709 1.00 0.00 C ATOM 287 CD GLU A 18 3.095 -10.461 8.425 1.00 0.00 C ATOM 288 OE1 GLU A 18 3.851 -10.503 7.436 1.00 0.00 O ATOM 289 OE2 GLU A 18 2.950 -11.432 9.196 1.00 0.00 O ATOM 0 H GLU A 18 -0.577 -8.292 6.157 1.00 0.00 H new ATOM 0 HA GLU A 18 0.750 -10.724 6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.977 -8.633 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.941 -7.825 7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.069 -8.373 8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.784 -9.286 9.634 1.00 0.00 H new ATOM 296 N SER A 19 -0.974 -9.066 9.227 1.00 0.00 N ATOM 297 CA SER A 19 -1.690 -9.203 10.483 1.00 0.00 C ATOM 298 C SER A 19 -3.149 -9.570 10.235 1.00 0.00 C ATOM 299 O SER A 19 -3.622 -9.530 9.099 1.00 0.00 O ATOM 300 CB SER A 19 -1.602 -7.894 11.269 1.00 0.00 C ATOM 301 OG SER A 19 -0.282 -7.377 11.238 1.00 0.00 O ATOM 0 H SER A 19 -0.902 -8.107 8.888 1.00 0.00 H new ATOM 0 HA SER A 19 -1.231 -10.004 11.063 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.293 -7.164 10.848 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.907 -8.063 12.302 1.00 0.00 H new ATOM 0 HG SER A 19 -0.153 -6.859 10.416 1.00 0.00 H new ATOM 307 N GLN A 20 -3.858 -9.917 11.297 1.00 0.00 N ATOM 308 CA GLN A 20 -5.265 -10.268 11.194 1.00 0.00 C ATOM 309 C GLN A 20 -6.106 -9.006 11.058 1.00 0.00 C ATOM 310 O GLN A 20 -7.237 -9.045 10.581 1.00 0.00 O ATOM 311 CB GLN A 20 -5.720 -11.085 12.409 1.00 0.00 C ATOM 312 CG GLN A 20 -5.064 -12.459 12.525 1.00 0.00 C ATOM 313 CD GLN A 20 -3.616 -12.397 12.978 1.00 0.00 C ATOM 314 OE1 GLN A 20 -2.694 -12.341 12.165 1.00 0.00 O ATOM 315 NE2 GLN A 20 -3.411 -12.397 14.284 1.00 0.00 N ATOM 0 H GLN A 20 -3.480 -9.963 12.243 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.401 -10.885 10.306 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.507 -10.516 13.314 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.801 -11.215 12.360 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.632 -13.067 13.229 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.114 -12.961 11.559 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.203 -12.445 14.925 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.461 -12.349 14.651 1.00 0.00 H new ATOM 324 N ASP A 21 -5.535 -7.881 11.478 1.00 0.00 N ATOM 325 CA ASP A 21 -6.174 -6.579 11.294 1.00 0.00 C ATOM 326 C ASP A 21 -6.190 -6.211 9.815 1.00 0.00 C ATOM 327 O ASP A 21 -6.984 -5.382 9.371 1.00 0.00 O ATOM 328 CB ASP A 21 -5.443 -5.490 12.086 1.00 0.00 C ATOM 329 CG ASP A 21 -5.547 -5.671 13.588 1.00 0.00 C ATOM 330 OD1 ASP A 21 -6.611 -5.356 14.158 1.00 0.00 O ATOM 331 OD2 ASP A 21 -4.558 -6.118 14.209 1.00 0.00 O ATOM 0 H ASP A 21 -4.631 -7.843 11.948 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.197 -6.649 11.665 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.391 -5.485 11.799 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.852 -4.517 11.815 1.00 0.00 H new ATOM 336 N GLU A 22 -5.303 -6.843 9.061 1.00 0.00 N ATOM 337 CA GLU A 22 -5.196 -6.620 7.629 1.00 0.00 C ATOM 338 C GLU A 22 -6.078 -7.622 6.888 1.00 0.00 C ATOM 339 O GLU A 22 -6.417 -8.674 7.432 1.00 0.00 O ATOM 340 CB GLU A 22 -3.735 -6.763 7.199 1.00 0.00 C ATOM 341 CG GLU A 22 -2.813 -5.748 7.858 1.00 0.00 C ATOM 342 CD GLU A 22 -1.350 -6.130 7.767 1.00 0.00 C ATOM 343 OE1 GLU A 22 -0.872 -6.436 6.660 1.00 0.00 O ATOM 344 OE2 GLU A 22 -0.666 -6.132 8.817 1.00 0.00 O ATOM 0 H GLU A 22 -4.638 -7.525 9.426 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.535 -5.613 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.389 -7.768 7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.670 -6.654 6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.959 -4.775 7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.090 -5.641 8.907 1.00 0.00 H new ATOM 351 N LEU A 23 -6.448 -7.304 5.658 1.00 0.00 N ATOM 352 CA LEU A 23 -7.359 -8.155 4.901 1.00 0.00 C ATOM 353 C LEU A 23 -6.764 -8.549 3.553 1.00 0.00 C ATOM 354 O LEU A 23 -6.342 -7.693 2.776 1.00 0.00 O ATOM 355 CB LEU A 23 -8.692 -7.435 4.695 1.00 0.00 C ATOM 356 CG LEU A 23 -9.760 -8.228 3.939 1.00 0.00 C ATOM 357 CD1 LEU A 23 -10.105 -9.507 4.679 1.00 0.00 C ATOM 358 CD2 LEU A 23 -11.001 -7.378 3.744 1.00 0.00 C ATOM 0 H LEU A 23 -6.135 -6.469 5.163 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.523 -9.068 5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.091 -7.161 5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.504 -6.507 4.155 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.362 -8.498 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.866 -10.055 4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.212 -10.124 4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.485 -9.262 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.754 -7.952 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.396 -7.083 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.745 -6.487 3.171 1.00 0.00 H new ATOM 370 N THR A 24 -6.723 -9.852 3.288 1.00 0.00 N ATOM 371 CA THR A 24 -6.273 -10.356 2.003 1.00 0.00 C ATOM 372 C THR A 24 -7.335 -10.106 0.936 1.00 0.00 C ATOM 373 O THR A 24 -8.428 -10.682 0.982 1.00 0.00 O ATOM 374 CB THR A 24 -5.958 -11.863 2.073 1.00 0.00 C ATOM 375 OG1 THR A 24 -5.081 -12.131 3.178 1.00 0.00 O ATOM 376 CG2 THR A 24 -5.310 -12.342 0.782 1.00 0.00 C ATOM 0 H THR A 24 -6.998 -10.576 3.951 1.00 0.00 H new ATOM 0 HA THR A 24 -5.359 -9.824 1.739 1.00 0.00 H new ATOM 0 HB THR A 24 -6.896 -12.400 2.213 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.887 -13.091 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.097 -13.408 0.856 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.988 -12.164 -0.053 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.380 -11.797 0.617 1.00 0.00 H new ATOM 384 N ILE A 25 -7.015 -9.240 -0.008 1.00 0.00 N ATOM 385 CA ILE A 25 -7.953 -8.866 -1.053 1.00 0.00 C ATOM 386 C ILE A 25 -7.438 -9.291 -2.420 1.00 0.00 C ATOM 387 O ILE A 25 -6.231 -9.275 -2.675 1.00 0.00 O ATOM 388 CB ILE A 25 -8.226 -7.347 -1.038 1.00 0.00 C ATOM 389 CG1 ILE A 25 -6.906 -6.569 -0.975 1.00 0.00 C ATOM 390 CG2 ILE A 25 -9.128 -6.989 0.135 1.00 0.00 C ATOM 391 CD1 ILE A 25 -7.082 -5.070 -0.862 1.00 0.00 C ATOM 0 H ILE A 25 -6.107 -8.779 -0.073 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.891 -9.386 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.738 -7.069 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.328 -6.922 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.322 -6.790 -1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.314 -5.915 0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.075 -7.521 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.642 -7.274 1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.104 -4.591 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.632 -4.702 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.637 -4.836 0.046 1.00 0.00 H new ATOM 403 N LYS A 26 -8.354 -9.691 -3.288 1.00 0.00 N ATOM 404 CA LYS A 26 -8.006 -10.173 -4.614 1.00 0.00 C ATOM 405 C LYS A 26 -8.349 -9.119 -5.655 1.00 0.00 C ATOM 406 O LYS A 26 -9.356 -8.426 -5.528 1.00 0.00 O ATOM 407 CB LYS A 26 -8.781 -11.457 -4.909 1.00 0.00 C ATOM 408 CG LYS A 26 -8.460 -12.089 -6.252 1.00 0.00 C ATOM 409 CD LYS A 26 -9.663 -12.826 -6.818 1.00 0.00 C ATOM 410 CE LYS A 26 -10.276 -13.777 -5.803 1.00 0.00 C ATOM 411 NZ LYS A 26 -11.540 -14.380 -6.303 1.00 0.00 N ATOM 0 H LYS A 26 -9.355 -9.691 -3.094 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.936 -10.376 -4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.573 -12.181 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.848 -11.240 -4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.141 -11.317 -6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.626 -12.782 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.414 -12.103 -7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.362 -13.386 -7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.563 -14.568 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.472 -13.241 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.927 -15.022 -5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.229 -13.627 -6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.349 -14.913 -7.175 1.00 0.00 H new ATOM 425 N SER A 27 -7.515 -8.998 -6.676 1.00 0.00 N ATOM 426 CA SER A 27 -7.772 -8.057 -7.754 1.00 0.00 C ATOM 427 C SER A 27 -9.115 -8.355 -8.417 1.00 0.00 C ATOM 428 O SER A 27 -9.325 -9.438 -8.973 1.00 0.00 O ATOM 429 CB SER A 27 -6.638 -8.112 -8.779 1.00 0.00 C ATOM 430 OG SER A 27 -6.271 -9.451 -9.064 1.00 0.00 O ATOM 0 H SER A 27 -6.656 -9.538 -6.781 1.00 0.00 H new ATOM 0 HA SER A 27 -7.816 -7.050 -7.338 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.949 -7.614 -9.697 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.773 -7.568 -8.399 1.00 0.00 H new ATOM 0 HG SER A 27 -5.302 -9.554 -8.960 1.00 0.00 H new ATOM 436 N GLY A 28 -10.033 -7.405 -8.326 1.00 0.00 N ATOM 437 CA GLY A 28 -11.346 -7.594 -8.900 1.00 0.00 C ATOM 438 C GLY A 28 -12.428 -7.746 -7.849 1.00 0.00 C ATOM 439 O GLY A 28 -13.614 -7.733 -8.177 1.00 0.00 O ATOM 0 H GLY A 28 -9.891 -6.507 -7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.584 -6.744 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.336 -8.479 -9.536 1.00 0.00 H new ATOM 443 N ASP A 29 -12.029 -7.900 -6.588 1.00 0.00 N ATOM 444 CA ASP A 29 -12.998 -7.998 -5.497 1.00 0.00 C ATOM 445 C ASP A 29 -13.780 -6.703 -5.356 1.00 0.00 C ATOM 446 O ASP A 29 -13.253 -5.609 -5.589 1.00 0.00 O ATOM 447 CB ASP A 29 -12.328 -8.324 -4.155 1.00 0.00 C ATOM 448 CG ASP A 29 -12.134 -9.808 -3.921 1.00 0.00 C ATOM 449 OD1 ASP A 29 -13.036 -10.598 -4.281 1.00 0.00 O ATOM 450 OD2 ASP A 29 -11.095 -10.191 -3.347 1.00 0.00 O ATOM 0 H ASP A 29 -11.053 -7.959 -6.298 1.00 0.00 H new ATOM 0 HA ASP A 29 -13.673 -8.815 -5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.358 -7.828 -4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.933 -7.913 -3.347 1.00 0.00 H new ATOM 455 N LYS A 30 -15.038 -6.831 -4.976 1.00 0.00 N ATOM 456 CA LYS A 30 -15.882 -5.677 -4.739 1.00 0.00 C ATOM 457 C LYS A 30 -15.902 -5.385 -3.246 1.00 0.00 C ATOM 458 O LYS A 30 -16.319 -6.230 -2.449 1.00 0.00 O ATOM 459 CB LYS A 30 -17.303 -5.933 -5.252 1.00 0.00 C ATOM 460 CG LYS A 30 -18.101 -4.661 -5.503 1.00 0.00 C ATOM 461 CD LYS A 30 -17.612 -3.934 -6.749 1.00 0.00 C ATOM 462 CE LYS A 30 -17.917 -4.728 -8.010 1.00 0.00 C ATOM 463 NZ LYS A 30 -17.343 -4.093 -9.227 1.00 0.00 N ATOM 0 H LYS A 30 -15.499 -7.728 -4.825 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.483 -4.817 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -17.248 -6.506 -6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -17.836 -6.549 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -19.157 -4.908 -5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -18.018 -4.001 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -18.086 -2.954 -6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.538 -3.764 -6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.519 -5.737 -7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.997 -4.822 -8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.576 -4.668 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.742 -3.139 -9.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.310 -4.027 -9.130 1.00 0.00 H new ATOM 477 N VAL A 31 -15.433 -4.210 -2.859 1.00 0.00 N ATOM 478 CA VAL A 31 -15.334 -3.873 -1.449 1.00 0.00 C ATOM 479 C VAL A 31 -16.073 -2.584 -1.126 1.00 0.00 C ATOM 480 O VAL A 31 -16.216 -1.699 -1.972 1.00 0.00 O ATOM 481 CB VAL A 31 -13.863 -3.740 -0.983 1.00 0.00 C ATOM 482 CG1 VAL A 31 -13.123 -5.055 -1.148 1.00 0.00 C ATOM 483 CG2 VAL A 31 -13.146 -2.630 -1.735 1.00 0.00 C ATOM 0 H VAL A 31 -15.117 -3.479 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 31 -15.800 -4.699 -0.911 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.874 -3.480 0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.092 -4.937 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.612 -5.825 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.133 -5.349 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.116 -2.561 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -13.154 -2.850 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.654 -1.682 -1.556 1.00 0.00 H new ATOM 493 N TYR A 32 -16.564 -2.502 0.098 1.00 0.00 N ATOM 494 CA TYR A 32 -17.146 -1.273 0.606 1.00 0.00 C ATOM 495 C TYR A 32 -16.116 -0.538 1.447 1.00 0.00 C ATOM 496 O TYR A 32 -15.423 -1.148 2.266 1.00 0.00 O ATOM 497 CB TYR A 32 -18.403 -1.561 1.435 1.00 0.00 C ATOM 498 CG TYR A 32 -19.547 -2.118 0.622 1.00 0.00 C ATOM 499 CD1 TYR A 32 -20.236 -1.313 -0.276 1.00 0.00 C ATOM 500 CD2 TYR A 32 -19.940 -3.444 0.751 1.00 0.00 C ATOM 501 CE1 TYR A 32 -21.286 -1.812 -1.020 1.00 0.00 C ATOM 502 CE2 TYR A 32 -20.989 -3.952 0.008 1.00 0.00 C ATOM 503 CZ TYR A 32 -21.657 -3.132 -0.876 1.00 0.00 C ATOM 504 OH TYR A 32 -22.705 -3.633 -1.614 1.00 0.00 O ATOM 0 H TYR A 32 -16.571 -3.277 0.761 1.00 0.00 H new ATOM 0 HA TYR A 32 -17.440 -0.649 -0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -18.153 -2.267 2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -18.727 -0.640 1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -19.945 -0.280 -0.394 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -19.418 -4.088 1.443 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -21.814 -1.172 -1.711 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -21.283 -4.985 0.119 1.00 0.00 H new ATOM 0 HH TYR A 32 -22.837 -4.579 -1.395 1.00 0.00 H new ATOM 514 N ILE A 33 -16.002 0.762 1.226 1.00 0.00 N ATOM 515 CA ILE A 33 -15.044 1.579 1.950 1.00 0.00 C ATOM 516 C ILE A 33 -15.707 2.192 3.174 1.00 0.00 C ATOM 517 O ILE A 33 -16.443 3.175 3.070 1.00 0.00 O ATOM 518 CB ILE A 33 -14.469 2.702 1.063 1.00 0.00 C ATOM 519 CG1 ILE A 33 -13.932 2.124 -0.249 1.00 0.00 C ATOM 520 CG2 ILE A 33 -13.369 3.445 1.807 1.00 0.00 C ATOM 521 CD1 ILE A 33 -13.456 3.175 -1.230 1.00 0.00 C ATOM 0 H ILE A 33 -16.565 1.275 0.547 1.00 0.00 H new ATOM 0 HA ILE A 33 -14.222 0.932 2.256 1.00 0.00 H new ATOM 0 HB ILE A 33 -15.267 3.405 0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.107 1.448 -0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.714 1.528 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.970 4.236 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -13.777 3.883 2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -12.571 2.749 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -13.090 2.689 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -14.284 3.838 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -12.651 3.756 -0.779 1.00 0.00 H new ATOM 533 N LEU A 34 -15.459 1.594 4.328 1.00 0.00 N ATOM 534 CA LEU A 34 -16.070 2.040 5.574 1.00 0.00 C ATOM 535 C LEU A 34 -15.405 3.317 6.068 1.00 0.00 C ATOM 536 O LEU A 34 -16.032 4.371 6.145 1.00 0.00 O ATOM 537 CB LEU A 34 -15.950 0.951 6.641 1.00 0.00 C ATOM 538 CG LEU A 34 -16.471 -0.428 6.233 1.00 0.00 C ATOM 539 CD1 LEU A 34 -16.217 -1.436 7.341 1.00 0.00 C ATOM 540 CD2 LEU A 34 -17.953 -0.362 5.897 1.00 0.00 C ATOM 0 H LEU A 34 -14.835 0.793 4.430 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.124 2.242 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -14.901 0.856 6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.490 1.276 7.530 1.00 0.00 H new ATOM 0 HG LEU A 34 -15.934 -0.752 5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -16.593 -2.413 7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -15.146 -1.503 7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -16.730 -1.116 8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.305 -1.353 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -18.509 -0.019 6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.108 0.332 5.071 1.00 0.00 H new ATOM 552 N ASP A 35 -14.128 3.213 6.396 1.00 0.00 N ATOM 553 CA ASP A 35 -13.366 4.353 6.879 1.00 0.00 C ATOM 554 C ASP A 35 -12.317 4.733 5.845 1.00 0.00 C ATOM 555 O ASP A 35 -11.530 3.882 5.420 1.00 0.00 O ATOM 556 CB ASP A 35 -12.710 4.008 8.216 1.00 0.00 C ATOM 557 CG ASP A 35 -12.137 5.217 8.920 1.00 0.00 C ATOM 558 OD1 ASP A 35 -12.395 6.352 8.473 1.00 0.00 O ATOM 559 OD2 ASP A 35 -11.444 5.033 9.944 1.00 0.00 O ATOM 0 H ASP A 35 -13.595 2.346 6.336 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.031 5.203 7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.446 3.532 8.864 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.915 3.281 8.048 1.00 0.00 H new ATOM 564 N ASP A 36 -12.322 5.999 5.431 1.00 0.00 N ATOM 565 CA ASP A 36 -11.478 6.451 4.326 1.00 0.00 C ATOM 566 C ASP A 36 -10.815 7.801 4.606 1.00 0.00 C ATOM 567 O ASP A 36 -9.749 8.096 4.066 1.00 0.00 O ATOM 568 CB ASP A 36 -12.301 6.534 3.033 1.00 0.00 C ATOM 569 CG ASP A 36 -13.474 7.498 3.123 1.00 0.00 C ATOM 570 OD1 ASP A 36 -14.490 7.160 3.773 1.00 0.00 O ATOM 571 OD2 ASP A 36 -13.405 8.585 2.521 1.00 0.00 O ATOM 0 H ASP A 36 -12.901 6.730 5.844 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.681 5.716 4.213 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.649 6.842 2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.675 5.541 2.785 1.00 0.00 H new ATOM 576 N LYS A 37 -11.432 8.625 5.446 1.00 0.00 N ATOM 577 CA LYS A 37 -10.906 9.964 5.701 1.00 0.00 C ATOM 578 C LYS A 37 -10.171 10.041 7.034 1.00 0.00 C ATOM 579 O LYS A 37 -9.334 10.922 7.240 1.00 0.00 O ATOM 580 CB LYS A 37 -12.031 10.996 5.657 1.00 0.00 C ATOM 581 CG LYS A 37 -12.663 11.134 4.282 1.00 0.00 C ATOM 582 CD LYS A 37 -13.730 12.212 4.258 1.00 0.00 C ATOM 583 CE LYS A 37 -14.310 12.385 2.861 1.00 0.00 C ATOM 584 NZ LYS A 37 -15.323 13.472 2.807 1.00 0.00 N ATOM 0 H LYS A 37 -12.285 8.396 5.956 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.186 10.187 4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.800 10.716 6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.639 11.964 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.891 11.370 3.549 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.102 10.181 3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.527 11.954 4.955 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.304 13.156 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.505 12.605 2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.766 11.449 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.692 13.555 1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.104 13.251 3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.883 14.371 3.088 1.00 0.00 H new ATOM 598 N LYS A 38 -10.478 9.121 7.937 1.00 0.00 N ATOM 599 CA LYS A 38 -9.835 9.087 9.242 1.00 0.00 C ATOM 600 C LYS A 38 -8.378 8.656 9.085 1.00 0.00 C ATOM 601 O LYS A 38 -7.488 9.156 9.775 1.00 0.00 O ATOM 602 CB LYS A 38 -10.607 8.130 10.158 1.00 0.00 C ATOM 603 CG LYS A 38 -10.257 8.193 11.641 1.00 0.00 C ATOM 604 CD LYS A 38 -8.961 7.467 11.965 1.00 0.00 C ATOM 605 CE LYS A 38 -8.977 6.887 13.371 1.00 0.00 C ATOM 606 NZ LYS A 38 -9.893 5.717 13.480 1.00 0.00 N ATOM 0 H LYS A 38 -11.170 8.387 7.789 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.845 10.079 9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.672 8.334 10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.440 7.111 9.809 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.172 9.236 11.947 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.069 7.756 12.222 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.802 6.666 11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.123 8.157 11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.968 6.585 13.650 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.286 7.657 14.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.669 5.180 14.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.877 6.050 13.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.773 5.103 12.649 1.00 0.00 H new ATOM 620 N SER A 39 -8.143 7.739 8.161 1.00 0.00 N ATOM 621 CA SER A 39 -6.799 7.279 7.862 1.00 0.00 C ATOM 622 C SER A 39 -6.614 7.173 6.355 1.00 0.00 C ATOM 623 O SER A 39 -7.319 6.421 5.692 1.00 0.00 O ATOM 624 CB SER A 39 -6.540 5.925 8.527 1.00 0.00 C ATOM 625 OG SER A 39 -6.712 6.009 9.935 1.00 0.00 O ATOM 0 H SER A 39 -8.872 7.296 7.602 1.00 0.00 H new ATOM 0 HA SER A 39 -6.082 7.999 8.257 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.221 5.178 8.118 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.527 5.592 8.300 1.00 0.00 H new ATOM 0 HG SER A 39 -6.543 5.132 10.338 1.00 0.00 H new ATOM 631 N LYS A 40 -5.674 7.937 5.820 1.00 0.00 N ATOM 632 CA LYS A 40 -5.427 7.945 4.383 1.00 0.00 C ATOM 633 C LYS A 40 -4.384 6.900 4.014 1.00 0.00 C ATOM 634 O LYS A 40 -4.098 6.676 2.841 1.00 0.00 O ATOM 635 CB LYS A 40 -4.962 9.330 3.928 1.00 0.00 C ATOM 636 CG LYS A 40 -3.634 9.759 4.536 1.00 0.00 C ATOM 637 CD LYS A 40 -3.248 11.159 4.096 1.00 0.00 C ATOM 638 CE LYS A 40 -1.863 11.544 4.592 1.00 0.00 C ATOM 639 NZ LYS A 40 -1.509 12.935 4.215 1.00 0.00 N ATOM 0 H LYS A 40 -5.070 8.559 6.357 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.361 7.702 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.873 9.335 2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.725 10.064 4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.702 9.724 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.854 9.056 4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.274 11.218 3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.981 11.873 4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.823 11.440 5.676 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.125 10.856 4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.558 13.160 4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.522 13.028 3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.199 13.593 4.630 1.00 0.00 H new ATOM 653 N ASP A 41 -3.808 6.283 5.032 1.00 0.00 N ATOM 654 CA ASP A 41 -2.789 5.264 4.836 1.00 0.00 C ATOM 655 C ASP A 41 -3.439 3.908 4.597 1.00 0.00 C ATOM 656 O ASP A 41 -3.116 3.202 3.637 1.00 0.00 O ATOM 657 CB ASP A 41 -1.874 5.187 6.066 1.00 0.00 C ATOM 658 CG ASP A 41 -1.285 6.530 6.457 1.00 0.00 C ATOM 659 OD1 ASP A 41 -2.014 7.351 7.060 1.00 0.00 O ATOM 660 OD2 ASP A 41 -0.096 6.774 6.176 1.00 0.00 O ATOM 0 H ASP A 41 -4.030 6.471 6.009 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.194 5.533 3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.440 4.787 6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.063 4.487 5.865 1.00 0.00 H new ATOM 665 N TRP A 42 -4.373 3.563 5.476 1.00 0.00 N ATOM 666 CA TRP A 42 -5.045 2.272 5.433 1.00 0.00 C ATOM 667 C TRP A 42 -6.552 2.466 5.536 1.00 0.00 C ATOM 668 O TRP A 42 -7.035 3.137 6.449 1.00 0.00 O ATOM 669 CB TRP A 42 -4.559 1.376 6.582 1.00 0.00 C ATOM 670 CG TRP A 42 -3.113 0.976 6.484 1.00 0.00 C ATOM 671 CD1 TRP A 42 -2.024 1.765 6.714 1.00 0.00 C ATOM 672 CD2 TRP A 42 -2.604 -0.320 6.150 1.00 0.00 C ATOM 673 NE1 TRP A 42 -0.871 1.045 6.535 1.00 0.00 N ATOM 674 CE2 TRP A 42 -1.200 -0.238 6.185 1.00 0.00 C ATOM 675 CE3 TRP A 42 -3.200 -1.536 5.816 1.00 0.00 C ATOM 676 CZ2 TRP A 42 -0.383 -1.332 5.906 1.00 0.00 C ATOM 677 CZ3 TRP A 42 -2.391 -2.621 5.538 1.00 0.00 C ATOM 678 CH2 TRP A 42 -0.996 -2.512 5.581 1.00 0.00 C ATOM 0 H TRP A 42 -4.684 4.169 6.235 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.808 1.789 4.485 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.717 1.898 7.526 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.172 0.475 6.609 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.064 2.807 6.996 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.077 1.406 6.645 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.275 -1.628 5.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.693 -1.252 5.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.842 -3.569 5.283 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.391 -3.377 5.353 1.00 0.00 H new ATOM 689 N TRP A 43 -7.284 1.884 4.599 1.00 0.00 N ATOM 690 CA TRP A 43 -8.734 2.009 4.573 1.00 0.00 C ATOM 691 C TRP A 43 -9.413 0.761 5.111 1.00 0.00 C ATOM 692 O TRP A 43 -8.830 -0.325 5.122 1.00 0.00 O ATOM 693 CB TRP A 43 -9.230 2.286 3.153 1.00 0.00 C ATOM 694 CG TRP A 43 -8.998 3.693 2.707 1.00 0.00 C ATOM 695 CD1 TRP A 43 -8.528 4.721 3.466 1.00 0.00 C ATOM 696 CD2 TRP A 43 -9.246 4.230 1.406 1.00 0.00 C ATOM 697 NE1 TRP A 43 -8.459 5.866 2.717 1.00 0.00 N ATOM 698 CE2 TRP A 43 -8.895 5.593 1.447 1.00 0.00 C ATOM 699 CE3 TRP A 43 -9.721 3.691 0.208 1.00 0.00 C ATOM 700 CZ2 TRP A 43 -9.012 6.422 0.339 1.00 0.00 C ATOM 701 CZ3 TRP A 43 -9.838 4.517 -0.891 1.00 0.00 C ATOM 702 CH2 TRP A 43 -9.484 5.871 -0.818 1.00 0.00 C ATOM 0 H TRP A 43 -6.897 1.318 3.844 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.994 2.849 5.217 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.730 1.607 2.463 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.296 2.067 3.099 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.250 4.645 4.507 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -8.136 6.774 3.051 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.992 2.647 0.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -8.739 7.466 0.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.208 4.114 -1.822 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.587 6.492 -1.696 1.00 0.00 H new ATOM 713 N MET A 44 -10.648 0.928 5.560 1.00 0.00 N ATOM 714 CA MET A 44 -11.454 -0.191 6.020 1.00 0.00 C ATOM 715 C MET A 44 -12.293 -0.734 4.873 1.00 0.00 C ATOM 716 O MET A 44 -13.307 -0.143 4.506 1.00 0.00 O ATOM 717 CB MET A 44 -12.381 0.236 7.161 1.00 0.00 C ATOM 718 CG MET A 44 -11.667 0.582 8.456 1.00 0.00 C ATOM 719 SD MET A 44 -10.983 -0.867 9.288 1.00 0.00 S ATOM 720 CE MET A 44 -12.448 -1.881 9.479 1.00 0.00 C ATOM 0 H MET A 44 -11.115 1.833 5.615 1.00 0.00 H new ATOM 0 HA MET A 44 -10.779 -0.966 6.384 1.00 0.00 H new ATOM 0 HB2 MET A 44 -12.960 1.101 6.838 1.00 0.00 H new ATOM 0 HB3 MET A 44 -13.091 -0.568 7.356 1.00 0.00 H new ATOM 0 HG2 MET A 44 -10.863 1.287 8.245 1.00 0.00 H new ATOM 0 HG3 MET A 44 -12.364 1.085 9.126 1.00 0.00 H new ATOM 0 HE1 MET A 44 -12.424 -2.376 10.450 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.336 -1.253 9.414 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.476 -2.632 8.690 1.00 0.00 H new ATOM 730 N CYS A 45 -11.863 -1.841 4.301 1.00 0.00 N ATOM 731 CA CYS A 45 -12.595 -2.447 3.202 1.00 0.00 C ATOM 732 C CYS A 45 -13.427 -3.620 3.699 1.00 0.00 C ATOM 733 O CYS A 45 -13.041 -4.306 4.648 1.00 0.00 O ATOM 734 CB CYS A 45 -11.630 -2.909 2.112 1.00 0.00 C ATOM 735 SG CYS A 45 -10.470 -4.184 2.652 1.00 0.00 S ATOM 0 H CYS A 45 -11.016 -2.338 4.575 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.266 -1.699 2.781 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.206 -3.290 1.268 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.067 -2.049 1.751 1.00 0.00 H new ATOM 0 HG CYS A 45 -10.078 -3.928 3.865 1.00 0.00 H new ATOM 741 N GLN A 46 -14.577 -3.824 3.076 1.00 0.00 N ATOM 742 CA GLN A 46 -15.431 -4.960 3.388 1.00 0.00 C ATOM 743 C GLN A 46 -15.737 -5.746 2.119 1.00 0.00 C ATOM 744 O GLN A 46 -16.231 -5.185 1.141 1.00 0.00 O ATOM 745 CB GLN A 46 -16.733 -4.490 4.041 1.00 0.00 C ATOM 746 CG GLN A 46 -17.692 -5.622 4.372 1.00 0.00 C ATOM 747 CD GLN A 46 -19.010 -5.130 4.934 1.00 0.00 C ATOM 748 OE1 GLN A 46 -19.070 -4.092 5.597 1.00 0.00 O ATOM 749 NE2 GLN A 46 -20.073 -5.872 4.670 1.00 0.00 N ATOM 0 H GLN A 46 -14.943 -3.213 2.346 1.00 0.00 H new ATOM 0 HA GLN A 46 -14.905 -5.607 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -16.495 -3.947 4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.231 -3.787 3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -17.882 -6.206 3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -17.222 -6.291 5.093 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -19.976 -6.724 4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -20.990 -5.592 5.019 1.00 0.00 H new ATOM 758 N LEU A 47 -15.442 -7.039 2.144 1.00 0.00 N ATOM 759 CA LEU A 47 -15.656 -7.907 0.989 1.00 0.00 C ATOM 760 C LEU A 47 -17.135 -8.244 0.835 1.00 0.00 C ATOM 761 O LEU A 47 -17.802 -8.590 1.810 1.00 0.00 O ATOM 762 CB LEU A 47 -14.850 -9.202 1.142 1.00 0.00 C ATOM 763 CG LEU A 47 -13.339 -9.025 1.219 1.00 0.00 C ATOM 764 CD1 LEU A 47 -12.662 -10.351 1.529 1.00 0.00 C ATOM 765 CD2 LEU A 47 -12.795 -8.443 -0.075 1.00 0.00 C ATOM 0 H LEU A 47 -15.051 -7.515 2.957 1.00 0.00 H new ATOM 0 HA LEU A 47 -15.320 -7.375 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.185 -9.714 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.080 -9.855 0.300 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.121 -8.326 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.583 -10.205 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.023 -10.729 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.894 -11.070 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.714 -8.326 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.027 -9.114 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.253 -7.471 -0.257 1.00 0.00 H new ATOM 777 N VAL A 48 -17.643 -8.142 -0.388 1.00 0.00 N ATOM 778 CA VAL A 48 -19.032 -8.495 -0.673 1.00 0.00 C ATOM 779 C VAL A 48 -19.250 -10.008 -0.559 1.00 0.00 C ATOM 780 O VAL A 48 -20.291 -10.460 -0.081 1.00 0.00 O ATOM 781 CB VAL A 48 -19.459 -8.009 -2.080 1.00 0.00 C ATOM 782 CG1 VAL A 48 -20.859 -8.492 -2.428 1.00 0.00 C ATOM 783 CG2 VAL A 48 -19.397 -6.491 -2.160 1.00 0.00 C ATOM 0 H VAL A 48 -17.116 -7.818 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 48 -19.651 -7.993 0.070 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.762 -8.432 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -21.131 -8.135 -3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -20.882 -9.582 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -21.569 -8.106 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -19.700 -6.166 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -20.068 -6.060 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -18.378 -6.158 -1.964 1.00 0.00 H new ATOM 793 N ASP A 49 -18.251 -10.782 -0.981 1.00 0.00 N ATOM 794 CA ASP A 49 -18.343 -12.244 -0.964 1.00 0.00 C ATOM 795 C ASP A 49 -18.496 -12.792 0.451 1.00 0.00 C ATOM 796 O ASP A 49 -19.558 -13.295 0.817 1.00 0.00 O ATOM 797 CB ASP A 49 -17.114 -12.876 -1.624 1.00 0.00 C ATOM 798 CG ASP A 49 -17.196 -12.890 -3.136 1.00 0.00 C ATOM 799 OD1 ASP A 49 -17.758 -13.855 -3.694 1.00 0.00 O ATOM 800 OD2 ASP A 49 -16.678 -11.953 -3.775 1.00 0.00 O ATOM 0 H ASP A 49 -17.367 -10.422 -1.340 1.00 0.00 H new ATOM 0 HA ASP A 49 -19.236 -12.508 -1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -16.222 -12.328 -1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.999 -13.898 -1.262 1.00 0.00 H new ATOM 805 N SER A 50 -17.432 -12.710 1.238 1.00 0.00 N ATOM 806 CA SER A 50 -17.440 -13.248 2.593 1.00 0.00 C ATOM 807 C SER A 50 -18.193 -12.332 3.551 1.00 0.00 C ATOM 808 O SER A 50 -19.078 -12.773 4.282 1.00 0.00 O ATOM 809 CB SER A 50 -16.006 -13.444 3.082 1.00 0.00 C ATOM 810 OG SER A 50 -15.228 -12.280 2.849 1.00 0.00 O ATOM 0 H SER A 50 -16.551 -12.276 0.962 1.00 0.00 H new ATOM 0 HA SER A 50 -17.954 -14.209 2.571 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.009 -13.677 4.147 1.00 0.00 H new ATOM 0 HB3 SER A 50 -15.556 -14.295 2.571 1.00 0.00 H new ATOM 0 HG SER A 50 -14.293 -12.535 2.706 1.00 0.00 H new ATOM 816 N GLY A 51 -17.841 -11.058 3.532 1.00 0.00 N ATOM 817 CA GLY A 51 -18.401 -10.120 4.480 1.00 0.00 C ATOM 818 C GLY A 51 -17.361 -9.658 5.479 1.00 0.00 C ATOM 819 O GLY A 51 -17.650 -8.852 6.364 1.00 0.00 O ATOM 0 H GLY A 51 -17.174 -10.655 2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.804 -9.259 3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -19.233 -10.586 5.008 1.00 0.00 H new ATOM 823 N LYS A 52 -16.145 -10.175 5.332 1.00 0.00 N ATOM 824 CA LYS A 52 -15.044 -9.804 6.210 1.00 0.00 C ATOM 825 C LYS A 52 -14.584 -8.382 5.922 1.00 0.00 C ATOM 826 O LYS A 52 -14.779 -7.867 4.816 1.00 0.00 O ATOM 827 CB LYS A 52 -13.860 -10.758 6.029 1.00 0.00 C ATOM 828 CG LYS A 52 -14.180 -12.223 6.289 1.00 0.00 C ATOM 829 CD LYS A 52 -12.922 -13.079 6.212 1.00 0.00 C ATOM 830 CE LYS A 52 -12.227 -12.935 4.867 1.00 0.00 C ATOM 831 NZ LYS A 52 -10.895 -13.597 4.850 1.00 0.00 N ATOM 0 H LYS A 52 -15.898 -10.853 4.611 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.404 -9.868 7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.482 -10.658 5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.057 -10.451 6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.637 -12.330 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.909 -12.575 5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.236 -12.791 7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.182 -14.124 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.855 -13.366 4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.108 -11.877 4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.458 -13.474 3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.285 -13.169 5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.009 -14.612 5.048 1.00 0.00 H new ATOM 845 N SER A 53 -13.976 -7.753 6.910 1.00 0.00 N ATOM 846 CA SER A 53 -13.430 -6.422 6.744 1.00 0.00 C ATOM 847 C SER A 53 -12.002 -6.378 7.273 1.00 0.00 C ATOM 848 O SER A 53 -11.588 -7.250 8.043 1.00 0.00 O ATOM 849 CB SER A 53 -14.308 -5.397 7.467 1.00 0.00 C ATOM 850 OG SER A 53 -13.891 -4.069 7.194 1.00 0.00 O ATOM 0 H SER A 53 -13.848 -8.147 7.842 1.00 0.00 H new ATOM 0 HA SER A 53 -13.415 -6.171 5.683 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.346 -5.524 7.159 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.270 -5.578 8.541 1.00 0.00 H new ATOM 0 HG SER A 53 -13.655 -3.989 6.246 1.00 0.00 H new ATOM 856 N GLY A 54 -11.246 -5.378 6.850 1.00 0.00 N ATOM 857 CA GLY A 54 -9.877 -5.245 7.306 1.00 0.00 C ATOM 858 C GLY A 54 -9.179 -4.036 6.725 1.00 0.00 C ATOM 859 O GLY A 54 -9.695 -3.395 5.802 1.00 0.00 O ATOM 0 H GLY A 54 -11.554 -4.656 6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.867 -5.177 8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.321 -6.143 7.038 1.00 0.00 H new ATOM 863 N LEU A 55 -8.004 -3.729 7.266 1.00 0.00 N ATOM 864 CA LEU A 55 -7.208 -2.596 6.806 1.00 0.00 C ATOM 865 C LEU A 55 -6.426 -2.962 5.554 1.00 0.00 C ATOM 866 O LEU A 55 -5.766 -4.004 5.507 1.00 0.00 O ATOM 867 CB LEU A 55 -6.229 -2.126 7.895 1.00 0.00 C ATOM 868 CG LEU A 55 -6.832 -1.324 9.057 1.00 0.00 C ATOM 869 CD1 LEU A 55 -7.608 -0.128 8.534 1.00 0.00 C ATOM 870 CD2 LEU A 55 -7.712 -2.199 9.942 1.00 0.00 C ATOM 0 H LEU A 55 -7.579 -4.254 8.030 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.899 -1.784 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.731 -3.003 8.308 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.460 -1.516 7.422 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.010 -0.959 9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.028 0.428 9.372 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.939 0.520 7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.415 -0.472 7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.122 -1.599 10.754 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.528 -2.613 9.349 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.116 -3.012 10.357 1.00 0.00 H new ATOM 882 N VAL A 56 -6.510 -2.108 4.543 1.00 0.00 N ATOM 883 CA VAL A 56 -5.772 -2.299 3.301 1.00 0.00 C ATOM 884 C VAL A 56 -5.235 -0.965 2.794 1.00 0.00 C ATOM 885 O VAL A 56 -5.755 0.090 3.158 1.00 0.00 O ATOM 886 CB VAL A 56 -6.651 -2.939 2.201 1.00 0.00 C ATOM 887 CG1 VAL A 56 -7.088 -4.339 2.602 1.00 0.00 C ATOM 888 CG2 VAL A 56 -7.858 -2.063 1.893 1.00 0.00 C ATOM 0 H VAL A 56 -7.088 -1.268 4.560 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.946 -2.976 3.520 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.051 -3.019 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.705 -4.768 1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.209 -4.965 2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.664 -4.290 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.461 -2.534 1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.458 -1.941 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.520 -1.086 1.547 1.00 0.00 H new ATOM 898 N PRO A 57 -4.177 -0.991 1.965 1.00 0.00 N ATOM 899 CA PRO A 57 -3.610 0.222 1.360 1.00 0.00 C ATOM 900 C PRO A 57 -4.649 1.030 0.587 1.00 0.00 C ATOM 901 O PRO A 57 -5.384 0.486 -0.239 1.00 0.00 O ATOM 902 CB PRO A 57 -2.545 -0.320 0.407 1.00 0.00 C ATOM 903 CG PRO A 57 -2.170 -1.643 0.976 1.00 0.00 C ATOM 904 CD PRO A 57 -3.435 -2.200 1.566 1.00 0.00 C ATOM 0 HA PRO A 57 -3.221 0.906 2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.934 -0.420 -0.606 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.684 0.347 0.354 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.773 -2.303 0.205 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.396 -1.538 1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.991 -2.793 0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.231 -2.848 2.419 1.00 0.00 H new ATOM 912 N ALA A 58 -4.687 2.329 0.853 1.00 0.00 N ATOM 913 CA ALA A 58 -5.677 3.219 0.255 1.00 0.00 C ATOM 914 C ALA A 58 -5.570 3.262 -1.268 1.00 0.00 C ATOM 915 O ALA A 58 -6.581 3.301 -1.967 1.00 0.00 O ATOM 916 CB ALA A 58 -5.523 4.617 0.825 1.00 0.00 C ATOM 0 H ALA A 58 -4.037 2.795 1.486 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.663 2.825 0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.265 5.277 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.670 4.588 1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.523 4.991 0.605 1.00 0.00 H new ATOM 922 N GLN A 59 -4.346 3.239 -1.779 1.00 0.00 N ATOM 923 CA GLN A 59 -4.115 3.387 -3.212 1.00 0.00 C ATOM 924 C GLN A 59 -4.242 2.049 -3.937 1.00 0.00 C ATOM 925 O GLN A 59 -4.012 1.960 -5.144 1.00 0.00 O ATOM 926 CB GLN A 59 -2.740 4.025 -3.491 1.00 0.00 C ATOM 927 CG GLN A 59 -1.532 3.093 -3.372 1.00 0.00 C ATOM 928 CD GLN A 59 -1.117 2.770 -1.944 1.00 0.00 C ATOM 929 OE1 GLN A 59 -1.939 2.652 -1.041 1.00 0.00 O ATOM 930 NE2 GLN A 59 0.182 2.652 -1.729 1.00 0.00 N ATOM 0 H GLN A 59 -3.498 3.120 -1.224 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.885 4.054 -3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.753 4.444 -4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.601 4.857 -2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.757 2.161 -3.890 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.687 3.548 -3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.839 2.756 -2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.528 2.457 -0.789 1.00 0.00 H new ATOM 939 N PHE A 60 -4.607 1.011 -3.198 1.00 0.00 N ATOM 940 CA PHE A 60 -4.855 -0.297 -3.793 1.00 0.00 C ATOM 941 C PHE A 60 -6.325 -0.438 -4.163 1.00 0.00 C ATOM 942 O PHE A 60 -6.723 -1.390 -4.841 1.00 0.00 O ATOM 943 CB PHE A 60 -4.446 -1.419 -2.835 1.00 0.00 C ATOM 944 CG PHE A 60 -2.967 -1.704 -2.816 1.00 0.00 C ATOM 945 CD1 PHE A 60 -2.043 -0.702 -3.068 1.00 0.00 C ATOM 946 CD2 PHE A 60 -2.503 -2.981 -2.544 1.00 0.00 C ATOM 947 CE1 PHE A 60 -0.688 -0.968 -3.049 1.00 0.00 C ATOM 948 CE2 PHE A 60 -1.150 -3.254 -2.524 1.00 0.00 C ATOM 949 CZ PHE A 60 -0.241 -2.245 -2.777 1.00 0.00 C ATOM 0 H PHE A 60 -4.738 1.048 -2.187 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.251 -0.379 -4.697 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -4.767 -1.156 -1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.977 -2.330 -3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.387 0.299 -3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.209 -3.773 -2.345 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.021 -0.178 -3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.803 -4.254 -2.311 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.818 -2.455 -2.762 1.00 0.00 H new ATOM 959 N ILE A 61 -7.122 0.526 -3.721 1.00 0.00 N ATOM 960 CA ILE A 61 -8.556 0.511 -3.955 1.00 0.00 C ATOM 961 C ILE A 61 -8.949 1.621 -4.925 1.00 0.00 C ATOM 962 O ILE A 61 -8.601 2.782 -4.718 1.00 0.00 O ATOM 963 CB ILE A 61 -9.339 0.709 -2.635 1.00 0.00 C ATOM 964 CG1 ILE A 61 -8.926 -0.338 -1.593 1.00 0.00 C ATOM 965 CG2 ILE A 61 -10.839 0.650 -2.886 1.00 0.00 C ATOM 966 CD1 ILE A 61 -9.252 -1.762 -1.987 1.00 0.00 C ATOM 0 H ILE A 61 -6.793 1.335 -3.194 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.807 -0.461 -4.380 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.095 1.696 -2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.853 -0.257 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.421 -0.111 -0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.371 0.791 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -11.122 1.437 -3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.099 -0.321 -3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.929 -2.441 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -10.327 -1.862 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.735 -2.010 -2.914 1.00 0.00 H new ATOM 978 N GLU A 62 -9.653 1.263 -5.991 1.00 0.00 N ATOM 979 CA GLU A 62 -10.213 2.256 -6.891 1.00 0.00 C ATOM 980 C GLU A 62 -11.634 2.578 -6.451 1.00 0.00 C ATOM 981 O GLU A 62 -12.532 1.748 -6.592 1.00 0.00 O ATOM 982 CB GLU A 62 -10.224 1.751 -8.338 1.00 0.00 C ATOM 983 CG GLU A 62 -10.695 2.795 -9.342 1.00 0.00 C ATOM 984 CD GLU A 62 -10.900 2.225 -10.732 1.00 0.00 C ATOM 985 OE1 GLU A 62 -9.901 2.050 -11.464 1.00 0.00 O ATOM 986 OE2 GLU A 62 -12.062 1.953 -11.105 1.00 0.00 O ATOM 0 H GLU A 62 -9.848 0.296 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.593 3.151 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.220 1.425 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.871 0.876 -8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.630 3.232 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.964 3.602 -9.390 1.00 0.00 H new ATOM 993 N PRO A 63 -11.855 3.766 -5.883 1.00 0.00 N ATOM 994 CA PRO A 63 -13.181 4.182 -5.435 1.00 0.00 C ATOM 995 C PRO A 63 -14.153 4.258 -6.602 1.00 0.00 C ATOM 996 O PRO A 63 -13.855 4.879 -7.623 1.00 0.00 O ATOM 997 CB PRO A 63 -12.949 5.575 -4.838 1.00 0.00 C ATOM 998 CG PRO A 63 -11.482 5.646 -4.585 1.00 0.00 C ATOM 999 CD PRO A 63 -10.843 4.803 -5.645 1.00 0.00 C ATOM 0 HA PRO A 63 -13.618 3.482 -4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.269 6.358 -5.526 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.516 5.709 -3.916 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.126 6.675 -4.636 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.238 5.274 -3.590 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.631 5.377 -6.547 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.898 4.377 -5.309 1.00 0.00 H new ATOM 1007 N VAL A 64 -15.307 3.621 -6.460 1.00 0.00 N ATOM 1008 CA VAL A 64 -16.282 3.595 -7.539 1.00 0.00 C ATOM 1009 C VAL A 64 -16.997 4.941 -7.622 1.00 0.00 C ATOM 1010 O VAL A 64 -18.114 5.116 -7.125 1.00 0.00 O ATOM 1011 CB VAL A 64 -17.307 2.452 -7.388 1.00 0.00 C ATOM 1012 CG1 VAL A 64 -18.054 2.243 -8.693 1.00 0.00 C ATOM 1013 CG2 VAL A 64 -16.620 1.163 -6.960 1.00 0.00 C ATOM 0 H VAL A 64 -15.588 3.120 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 64 -15.737 3.408 -8.464 1.00 0.00 H new ATOM 0 HB VAL A 64 -18.021 2.731 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -18.775 1.434 -8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -18.579 3.160 -8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -17.346 1.985 -9.480 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -17.362 0.371 -6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -15.883 0.877 -7.711 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -16.122 1.317 -6.003 1.00 0.00 H new ATOM 1152 N MET B 1 21.064 -0.093 -8.763 1.00 0.00 N ATOM 1153 CA MET B 1 19.979 0.302 -9.686 1.00 0.00 C ATOM 1154 C MET B 1 19.200 1.468 -9.109 1.00 0.00 C ATOM 1155 O MET B 1 19.627 2.104 -8.145 1.00 0.00 O ATOM 1156 CB MET B 1 19.036 -0.876 -9.957 1.00 0.00 C ATOM 1157 CG MET B 1 18.428 -1.490 -8.716 1.00 0.00 C ATOM 1158 SD MET B 1 17.335 -2.873 -9.084 1.00 0.00 S ATOM 1159 CE MET B 1 16.750 -3.275 -7.439 1.00 0.00 C ATOM 0 H1 MET B 1 21.193 -1.124 -8.800 1.00 0.00 H new ATOM 0 H2 MET B 1 21.948 0.377 -9.045 1.00 0.00 H new ATOM 0 H3 MET B 1 20.815 0.190 -7.794 1.00 0.00 H new ATOM 0 HA MET B 1 20.429 0.606 -10.631 1.00 0.00 H new ATOM 0 HB2 MET B 1 18.232 -0.539 -10.611 1.00 0.00 H new ATOM 0 HB3 MET B 1 19.585 -1.647 -10.497 1.00 0.00 H new ATOM 0 HG2 MET B 1 19.226 -1.830 -8.056 1.00 0.00 H new ATOM 0 HG3 MET B 1 17.870 -0.726 -8.175 1.00 0.00 H new ATOM 0 HE1 MET B 1 16.698 -4.358 -7.326 1.00 0.00 H new ATOM 0 HE2 MET B 1 17.437 -2.866 -6.698 1.00 0.00 H new ATOM 0 HE3 MET B 1 15.759 -2.846 -7.290 1.00 0.00 H new ATOM 1171 N GLN B 2 18.061 1.745 -9.706 1.00 0.00 N ATOM 1172 CA GLN B 2 17.187 2.808 -9.232 1.00 0.00 C ATOM 1173 C GLN B 2 15.770 2.288 -9.053 1.00 0.00 C ATOM 1174 O GLN B 2 15.305 1.464 -9.839 1.00 0.00 O ATOM 1175 CB GLN B 2 17.187 3.972 -10.219 1.00 0.00 C ATOM 1176 CG GLN B 2 18.556 4.597 -10.430 1.00 0.00 C ATOM 1177 CD GLN B 2 18.538 5.662 -11.501 1.00 0.00 C ATOM 1178 OE1 GLN B 2 18.745 5.376 -12.680 1.00 0.00 O ATOM 1179 NE2 GLN B 2 18.291 6.894 -11.100 1.00 0.00 N ATOM 0 H GLN B 2 17.713 1.248 -10.526 1.00 0.00 H new ATOM 0 HA GLN B 2 17.561 3.157 -8.269 1.00 0.00 H new ATOM 0 HB2 GLN B 2 16.806 3.623 -11.178 1.00 0.00 H new ATOM 0 HB3 GLN B 2 16.499 4.739 -9.862 1.00 0.00 H new ATOM 0 HG2 GLN B 2 18.903 5.032 -9.493 1.00 0.00 H new ATOM 0 HG3 GLN B 2 19.270 3.820 -10.704 1.00 0.00 H new ATOM 0 HE21 GLN B 2 18.125 7.085 -10.112 1.00 0.00 H new ATOM 0 HE22 GLN B 2 18.266 7.656 -11.778 1.00 0.00 H new ATOM 1188 N ILE B 3 15.100 2.750 -8.009 1.00 0.00 N ATOM 1189 CA ILE B 3 13.701 2.412 -7.785 1.00 0.00 C ATOM 1190 C ILE B 3 12.877 3.680 -7.636 1.00 0.00 C ATOM 1191 O ILE B 3 13.414 4.747 -7.326 1.00 0.00 O ATOM 1192 CB ILE B 3 13.493 1.527 -6.530 1.00 0.00 C ATOM 1193 CG1 ILE B 3 14.035 2.227 -5.276 1.00 0.00 C ATOM 1194 CG2 ILE B 3 14.151 0.168 -6.720 1.00 0.00 C ATOM 1195 CD1 ILE B 3 13.788 1.466 -3.988 1.00 0.00 C ATOM 0 H ILE B 3 15.503 3.363 -7.300 1.00 0.00 H new ATOM 0 HA ILE B 3 13.374 1.841 -8.654 1.00 0.00 H new ATOM 0 HB ILE B 3 12.423 1.371 -6.393 1.00 0.00 H new ATOM 0 HG12 ILE B 3 15.107 2.382 -5.394 1.00 0.00 H new ATOM 0 HG13 ILE B 3 13.577 3.213 -5.197 1.00 0.00 H new ATOM 0 HG21 ILE B 3 13.995 -0.440 -5.829 1.00 0.00 H new ATOM 0 HG22 ILE B 3 13.710 -0.332 -7.582 1.00 0.00 H new ATOM 0 HG23 ILE B 3 15.220 0.301 -6.885 1.00 0.00 H new ATOM 0 HD11 ILE B 3 14.201 2.027 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE B 3 12.716 1.334 -3.843 1.00 0.00 H new ATOM 0 HD13 ILE B 3 14.270 0.490 -4.044 1.00 0.00 H new ATOM 1207 N PHE B 4 11.582 3.568 -7.869 1.00 0.00 N ATOM 1208 CA PHE B 4 10.687 4.697 -7.701 1.00 0.00 C ATOM 1209 C PHE B 4 9.856 4.522 -6.442 1.00 0.00 C ATOM 1210 O PHE B 4 8.964 3.673 -6.386 1.00 0.00 O ATOM 1211 CB PHE B 4 9.774 4.863 -8.918 1.00 0.00 C ATOM 1212 CG PHE B 4 10.500 5.301 -10.161 1.00 0.00 C ATOM 1213 CD1 PHE B 4 10.858 6.628 -10.335 1.00 0.00 C ATOM 1214 CD2 PHE B 4 10.825 4.387 -11.148 1.00 0.00 C ATOM 1215 CE1 PHE B 4 11.526 7.035 -11.475 1.00 0.00 C ATOM 1216 CE2 PHE B 4 11.493 4.788 -12.290 1.00 0.00 C ATOM 1217 CZ PHE B 4 11.845 6.114 -12.454 1.00 0.00 C ATOM 0 H PHE B 4 11.127 2.708 -8.175 1.00 0.00 H new ATOM 0 HA PHE B 4 11.292 5.599 -7.607 1.00 0.00 H new ATOM 0 HB2 PHE B 4 9.271 3.917 -9.116 1.00 0.00 H new ATOM 0 HB3 PHE B 4 8.999 5.593 -8.684 1.00 0.00 H new ATOM 0 HD1 PHE B 4 10.613 7.352 -9.572 1.00 0.00 H new ATOM 0 HD2 PHE B 4 10.554 3.349 -11.025 1.00 0.00 H new ATOM 0 HE1 PHE B 4 11.798 8.073 -11.600 1.00 0.00 H new ATOM 0 HE2 PHE B 4 11.740 4.065 -13.054 1.00 0.00 H new ATOM 0 HZ PHE B 4 12.368 6.429 -13.345 1.00 0.00 H new ATOM 1227 N VAL B 5 10.170 5.308 -5.426 1.00 0.00 N ATOM 1228 CA VAL B 5 9.434 5.264 -4.176 1.00 0.00 C ATOM 1229 C VAL B 5 8.201 6.145 -4.282 1.00 0.00 C ATOM 1230 O VAL B 5 8.284 7.368 -4.153 1.00 0.00 O ATOM 1231 CB VAL B 5 10.301 5.720 -2.985 1.00 0.00 C ATOM 1232 CG1 VAL B 5 9.532 5.593 -1.676 1.00 0.00 C ATOM 1233 CG2 VAL B 5 11.595 4.920 -2.930 1.00 0.00 C ATOM 0 H VAL B 5 10.932 5.986 -5.444 1.00 0.00 H new ATOM 0 HA VAL B 5 9.140 4.230 -3.995 1.00 0.00 H new ATOM 0 HB VAL B 5 10.553 6.771 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL B 5 10.163 5.920 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.638 6.215 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL B 5 9.244 4.553 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL B 5 12.194 5.255 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL B 5 11.364 3.861 -2.814 1.00 0.00 H new ATOM 0 HG23 VAL B 5 12.155 5.070 -3.853 1.00 0.00 H new ATOM 1243 N LYS B 6 7.067 5.519 -4.552 1.00 0.00 N ATOM 1244 CA LYS B 6 5.821 6.239 -4.738 1.00 0.00 C ATOM 1245 C LYS B 6 4.975 6.134 -3.479 1.00 0.00 C ATOM 1246 O LYS B 6 4.471 5.057 -3.143 1.00 0.00 O ATOM 1247 CB LYS B 6 5.068 5.670 -5.942 1.00 0.00 C ATOM 1248 CG LYS B 6 3.878 6.507 -6.391 1.00 0.00 C ATOM 1249 CD LYS B 6 3.244 5.917 -7.640 1.00 0.00 C ATOM 1250 CE LYS B 6 2.139 6.807 -8.188 1.00 0.00 C ATOM 1251 NZ LYS B 6 1.531 6.235 -9.420 1.00 0.00 N ATOM 0 H LYS B 6 6.986 4.507 -4.647 1.00 0.00 H new ATOM 0 HA LYS B 6 6.034 7.291 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS B 6 5.763 5.571 -6.776 1.00 0.00 H new ATOM 0 HB3 LYS B 6 4.719 4.667 -5.696 1.00 0.00 H new ATOM 0 HG2 LYS B 6 3.139 6.556 -5.591 1.00 0.00 H new ATOM 0 HG3 LYS B 6 4.201 7.529 -6.590 1.00 0.00 H new ATOM 0 HD2 LYS B 6 4.009 5.776 -8.404 1.00 0.00 H new ATOM 0 HD3 LYS B 6 2.837 4.932 -7.410 1.00 0.00 H new ATOM 0 HE2 LYS B 6 1.368 6.939 -7.429 1.00 0.00 H new ATOM 0 HE3 LYS B 6 2.543 7.796 -8.407 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 0.782 6.869 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 2.262 6.133 -10.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 1.123 5.303 -9.205 1.00 0.00 H new ATOM 1265 N THR B 7 4.835 7.244 -2.780 1.00 0.00 N ATOM 1266 CA THR B 7 4.118 7.270 -1.517 1.00 0.00 C ATOM 1267 C THR B 7 2.608 7.382 -1.732 1.00 0.00 C ATOM 1268 O THR B 7 2.120 7.332 -2.864 1.00 0.00 O ATOM 1269 CB THR B 7 4.591 8.447 -0.647 1.00 0.00 C ATOM 1270 OG1 THR B 7 4.424 9.673 -1.366 1.00 0.00 O ATOM 1271 CG2 THR B 7 6.050 8.285 -0.253 1.00 0.00 C ATOM 0 H THR B 7 5.211 8.147 -3.068 1.00 0.00 H new ATOM 0 HA THR B 7 4.331 6.330 -1.008 1.00 0.00 H new ATOM 0 HB THR B 7 3.989 8.464 0.262 1.00 0.00 H new ATOM 0 HG1 THR B 7 5.146 9.769 -2.022 1.00 0.00 H new ATOM 0 HG21 THR B 7 6.357 9.131 0.361 1.00 0.00 H new ATOM 0 HG22 THR B 7 6.174 7.362 0.313 1.00 0.00 H new ATOM 0 HG23 THR B 7 6.667 8.246 -1.151 1.00 0.00 H new ATOM 1279 N LEU B 8 1.878 7.528 -0.635 1.00 0.00 N ATOM 1280 CA LEU B 8 0.432 7.698 -0.682 1.00 0.00 C ATOM 1281 C LEU B 8 0.074 9.098 -1.162 1.00 0.00 C ATOM 1282 O LEU B 8 -0.938 9.302 -1.825 1.00 0.00 O ATOM 1283 CB LEU B 8 -0.159 7.494 0.711 1.00 0.00 C ATOM 1284 CG LEU B 8 0.179 6.170 1.388 1.00 0.00 C ATOM 1285 CD1 LEU B 8 -0.134 6.258 2.868 1.00 0.00 C ATOM 1286 CD2 LEU B 8 -0.590 5.027 0.748 1.00 0.00 C ATOM 0 H LEU B 8 2.268 7.532 0.307 1.00 0.00 H new ATOM 0 HA LEU B 8 0.024 6.962 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU B 8 0.183 8.306 1.353 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.243 7.578 0.641 1.00 0.00 H new ATOM 0 HG LEU B 8 1.243 5.972 1.261 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.109 5.310 3.348 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.458 7.055 3.318 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -1.194 6.472 3.004 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -0.334 4.092 1.246 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -1.660 5.209 0.846 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -0.329 4.959 -0.308 1.00 0.00 H new ATOM 1298 N THR B 9 0.931 10.055 -0.835 1.00 0.00 N ATOM 1299 CA THR B 9 0.628 11.459 -1.043 1.00 0.00 C ATOM 1300 C THR B 9 1.089 11.944 -2.416 1.00 0.00 C ATOM 1301 O THR B 9 1.074 13.142 -2.701 1.00 0.00 O ATOM 1302 CB THR B 9 1.286 12.305 0.060 1.00 0.00 C ATOM 1303 OG1 THR B 9 2.697 12.054 0.086 1.00 0.00 O ATOM 1304 CG2 THR B 9 0.688 11.969 1.421 1.00 0.00 C ATOM 0 H THR B 9 1.847 9.880 -0.422 1.00 0.00 H new ATOM 0 HA THR B 9 -0.455 11.574 -0.999 1.00 0.00 H new ATOM 0 HB THR B 9 1.103 13.358 -0.156 1.00 0.00 H new ATOM 0 HG1 THR B 9 3.113 12.596 0.789 1.00 0.00 H new ATOM 0 HG21 THR B 9 1.166 12.577 2.189 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.382 12.175 1.409 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.852 10.914 1.640 1.00 0.00 H new ATOM 1312 N GLY B 10 1.506 11.008 -3.259 1.00 0.00 N ATOM 1313 CA GLY B 10 1.900 11.350 -4.613 1.00 0.00 C ATOM 1314 C GLY B 10 3.387 11.587 -4.747 1.00 0.00 C ATOM 1315 O GLY B 10 3.936 11.515 -5.849 1.00 0.00 O ATOM 0 H GLY B 10 1.579 10.017 -3.029 1.00 0.00 H new ATOM 0 HA2 GLY B 10 1.602 10.547 -5.287 1.00 0.00 H new ATOM 0 HA3 GLY B 10 1.364 12.245 -4.928 1.00 0.00 H new ATOM 1319 N LYS B 11 4.042 11.863 -3.628 1.00 0.00 N ATOM 1320 CA LYS B 11 5.475 12.120 -3.627 1.00 0.00 C ATOM 1321 C LYS B 11 6.232 10.883 -4.097 1.00 0.00 C ATOM 1322 O LYS B 11 6.158 9.821 -3.474 1.00 0.00 O ATOM 1323 CB LYS B 11 5.935 12.541 -2.225 1.00 0.00 C ATOM 1324 CG LYS B 11 7.400 12.951 -2.143 1.00 0.00 C ATOM 1325 CD LYS B 11 7.690 14.166 -3.011 1.00 0.00 C ATOM 1326 CE LYS B 11 9.131 14.640 -2.868 1.00 0.00 C ATOM 1327 NZ LYS B 11 9.420 15.145 -1.500 1.00 0.00 N ATOM 0 H LYS B 11 3.603 11.915 -2.709 1.00 0.00 H new ATOM 0 HA LYS B 11 5.690 12.935 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.317 13.373 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS B 11 5.762 11.715 -1.535 1.00 0.00 H new ATOM 0 HG2 LYS B 11 7.659 13.172 -1.108 1.00 0.00 H new ATOM 0 HG3 LYS B 11 8.030 12.119 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS B 11 7.491 13.922 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS B 11 7.013 14.976 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS B 11 9.808 13.818 -3.101 1.00 0.00 H new ATOM 0 HE3 LYS B 11 9.326 15.429 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 10.350 15.611 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 8.688 15.829 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 9.425 14.350 -0.830 1.00 0.00 H new ATOM 1341 N THR B 12 6.933 11.020 -5.212 1.00 0.00 N ATOM 1342 CA THR B 12 7.667 9.910 -5.794 1.00 0.00 C ATOM 1343 C THR B 12 9.136 10.274 -5.961 1.00 0.00 C ATOM 1344 O THR B 12 9.477 11.169 -6.736 1.00 0.00 O ATOM 1345 CB THR B 12 7.075 9.517 -7.162 1.00 0.00 C ATOM 1346 OG1 THR B 12 5.652 9.383 -7.051 1.00 0.00 O ATOM 1347 CG2 THR B 12 7.669 8.208 -7.660 1.00 0.00 C ATOM 0 H THR B 12 7.008 11.894 -5.733 1.00 0.00 H new ATOM 0 HA THR B 12 7.581 9.060 -5.117 1.00 0.00 H new ATOM 0 HB THR B 12 7.320 10.302 -7.878 1.00 0.00 H new ATOM 0 HG1 THR B 12 5.263 10.241 -6.780 1.00 0.00 H new ATOM 0 HG21 THR B 12 7.233 7.955 -8.627 1.00 0.00 H new ATOM 0 HG22 THR B 12 8.749 8.315 -7.765 1.00 0.00 H new ATOM 0 HG23 THR B 12 7.451 7.414 -6.945 1.00 0.00 H new ATOM 1355 N ILE B 13 10.002 9.598 -5.225 1.00 0.00 N ATOM 1356 CA ILE B 13 11.426 9.867 -5.301 1.00 0.00 C ATOM 1357 C ILE B 13 12.167 8.732 -5.998 1.00 0.00 C ATOM 1358 O ILE B 13 11.789 7.562 -5.887 1.00 0.00 O ATOM 1359 CB ILE B 13 12.042 10.100 -3.906 1.00 0.00 C ATOM 1360 CG1 ILE B 13 11.669 8.962 -2.951 1.00 0.00 C ATOM 1361 CG2 ILE B 13 11.600 11.444 -3.343 1.00 0.00 C ATOM 1362 CD1 ILE B 13 12.292 9.088 -1.577 1.00 0.00 C ATOM 0 H ILE B 13 9.744 8.860 -4.570 1.00 0.00 H new ATOM 0 HA ILE B 13 11.538 10.780 -5.886 1.00 0.00 H new ATOM 0 HB ILE B 13 13.127 10.113 -4.009 1.00 0.00 H new ATOM 0 HG12 ILE B 13 10.585 8.929 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE B 13 11.976 8.014 -3.393 1.00 0.00 H new ATOM 0 HG21 ILE B 13 12.045 11.590 -2.359 1.00 0.00 H new ATOM 0 HG22 ILE B 13 11.925 12.242 -4.010 1.00 0.00 H new ATOM 0 HG23 ILE B 13 10.514 11.463 -3.257 1.00 0.00 H new ATOM 0 HD11 ILE B 13 11.982 8.246 -0.958 1.00 0.00 H new ATOM 0 HD12 ILE B 13 13.378 9.090 -1.669 1.00 0.00 H new ATOM 0 HD13 ILE B 13 11.965 10.019 -1.113 1.00 0.00 H new ATOM 1374 N THR B 14 13.203 9.088 -6.736 1.00 0.00 N ATOM 1375 CA THR B 14 14.049 8.107 -7.387 1.00 0.00 C ATOM 1376 C THR B 14 15.194 7.735 -6.455 1.00 0.00 C ATOM 1377 O THR B 14 16.062 8.560 -6.164 1.00 0.00 O ATOM 1378 CB THR B 14 14.606 8.657 -8.711 1.00 0.00 C ATOM 1379 OG1 THR B 14 13.561 9.329 -9.426 1.00 0.00 O ATOM 1380 CG2 THR B 14 15.173 7.535 -9.571 1.00 0.00 C ATOM 0 H THR B 14 13.479 10.056 -6.899 1.00 0.00 H new ATOM 0 HA THR B 14 13.454 7.222 -7.612 1.00 0.00 H new ATOM 0 HB THR B 14 15.410 9.357 -8.484 1.00 0.00 H new ATOM 0 HG1 THR B 14 13.054 8.677 -9.953 1.00 0.00 H new ATOM 0 HG21 THR B 14 15.560 7.950 -10.501 1.00 0.00 H new ATOM 0 HG22 THR B 14 15.979 7.036 -9.033 1.00 0.00 H new ATOM 0 HG23 THR B 14 14.386 6.815 -9.795 1.00 0.00 H new ATOM 1388 N LEU B 15 15.185 6.503 -5.975 1.00 0.00 N ATOM 1389 CA LEU B 15 16.127 6.087 -4.949 1.00 0.00 C ATOM 1390 C LEU B 15 17.199 5.170 -5.534 1.00 0.00 C ATOM 1391 O LEU B 15 16.887 4.189 -6.212 1.00 0.00 O ATOM 1392 CB LEU B 15 15.370 5.375 -3.821 1.00 0.00 C ATOM 1393 CG LEU B 15 15.845 5.688 -2.397 1.00 0.00 C ATOM 1394 CD1 LEU B 15 17.289 5.263 -2.201 1.00 0.00 C ATOM 1395 CD2 LEU B 15 15.678 7.171 -2.088 1.00 0.00 C ATOM 0 H LEU B 15 14.538 5.775 -6.278 1.00 0.00 H new ATOM 0 HA LEU B 15 16.625 6.970 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU B 15 14.314 5.635 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU B 15 15.446 4.299 -3.981 1.00 0.00 H new ATOM 0 HG LEU B 15 15.226 5.119 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU B 15 17.602 5.496 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU B 15 17.379 4.190 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU B 15 17.925 5.797 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU B 15 16.021 7.372 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU B 15 16.267 7.758 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU B 15 14.627 7.445 -2.177 1.00 0.00 H new ATOM 1407 N GLU B 16 18.461 5.509 -5.283 1.00 0.00 N ATOM 1408 CA GLU B 16 19.577 4.701 -5.703 1.00 0.00 C ATOM 1409 C GLU B 16 19.800 3.533 -4.743 1.00 0.00 C ATOM 1410 O GLU B 16 20.282 3.705 -3.620 1.00 0.00 O ATOM 1411 CB GLU B 16 20.819 5.572 -5.770 1.00 0.00 C ATOM 1412 CG GLU B 16 20.966 6.527 -4.598 1.00 0.00 C ATOM 1413 CD GLU B 16 22.369 7.070 -4.477 1.00 0.00 C ATOM 1414 OE1 GLU B 16 22.755 7.933 -5.292 1.00 0.00 O ATOM 1415 OE2 GLU B 16 23.105 6.621 -3.580 1.00 0.00 O ATOM 0 H GLU B 16 18.727 6.356 -4.781 1.00 0.00 H new ATOM 0 HA GLU B 16 19.364 4.285 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU B 16 21.699 4.930 -5.815 1.00 0.00 H new ATOM 0 HB3 GLU B 16 20.797 6.148 -6.695 1.00 0.00 H new ATOM 0 HG2 GLU B 16 20.267 7.355 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU B 16 20.697 6.012 -3.676 1.00 0.00 H new ATOM 1422 N VAL B 17 19.441 2.345 -5.190 1.00 0.00 N ATOM 1423 CA VAL B 17 19.558 1.145 -4.376 1.00 0.00 C ATOM 1424 C VAL B 17 20.003 -0.024 -5.238 1.00 0.00 C ATOM 1425 O VAL B 17 19.759 -0.038 -6.440 1.00 0.00 O ATOM 1426 CB VAL B 17 18.218 0.789 -3.696 1.00 0.00 C ATOM 1427 CG1 VAL B 17 17.867 1.794 -2.611 1.00 0.00 C ATOM 1428 CG2 VAL B 17 17.114 0.725 -4.734 1.00 0.00 C ATOM 0 H VAL B 17 19.062 2.182 -6.123 1.00 0.00 H new ATOM 0 HA VAL B 17 20.298 1.343 -3.601 1.00 0.00 H new ATOM 0 HB VAL B 17 18.323 -0.188 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL B 17 16.919 1.516 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL B 17 18.650 1.799 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL B 17 17.780 2.788 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.171 0.473 -4.248 1.00 0.00 H new ATOM 0 HG22 VAL B 17 17.021 1.693 -5.227 1.00 0.00 H new ATOM 0 HG23 VAL B 17 17.355 -0.037 -5.475 1.00 0.00 H new ATOM 1438 N GLU B 18 20.662 -0.989 -4.641 1.00 0.00 N ATOM 1439 CA GLU B 18 21.132 -2.144 -5.380 1.00 0.00 C ATOM 1440 C GLU B 18 20.361 -3.387 -4.952 1.00 0.00 C ATOM 1441 O GLU B 18 19.569 -3.335 -4.015 1.00 0.00 O ATOM 1442 CB GLU B 18 22.633 -2.332 -5.154 1.00 0.00 C ATOM 1443 CG GLU B 18 23.331 -3.067 -6.285 1.00 0.00 C ATOM 1444 CD GLU B 18 23.238 -2.318 -7.599 1.00 0.00 C ATOM 1445 OE1 GLU B 18 22.208 -2.443 -8.293 1.00 0.00 O ATOM 1446 OE2 GLU B 18 24.197 -1.598 -7.945 1.00 0.00 O ATOM 0 H GLU B 18 20.886 -1.000 -3.646 1.00 0.00 H new ATOM 0 HA GLU B 18 20.960 -1.983 -6.444 1.00 0.00 H new ATOM 0 HB2 GLU B 18 23.098 -1.354 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU B 18 22.786 -2.882 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU B 18 24.380 -3.215 -6.027 1.00 0.00 H new ATOM 0 HG3 GLU B 18 22.888 -4.056 -6.401 1.00 0.00 H new ATOM 1453 N SER B 19 20.586 -4.497 -5.641 1.00 0.00 N ATOM 1454 CA SER B 19 19.933 -5.754 -5.301 1.00 0.00 C ATOM 1455 C SER B 19 20.333 -6.199 -3.895 1.00 0.00 C ATOM 1456 O SER B 19 19.563 -6.863 -3.198 1.00 0.00 O ATOM 1457 CB SER B 19 20.313 -6.830 -6.318 1.00 0.00 C ATOM 1458 OG SER B 19 20.184 -6.344 -7.645 1.00 0.00 O ATOM 0 H SER B 19 21.217 -4.553 -6.440 1.00 0.00 H new ATOM 0 HA SER B 19 18.853 -5.605 -5.325 1.00 0.00 H new ATOM 0 HB2 SER B 19 21.339 -7.154 -6.144 1.00 0.00 H new ATOM 0 HB3 SER B 19 19.676 -7.704 -6.183 1.00 0.00 H new ATOM 0 HG SER B 19 20.434 -7.049 -8.278 1.00 0.00 H new ATOM 1464 N SER B 20 21.535 -5.807 -3.487 1.00 0.00 N ATOM 1465 CA SER B 20 22.068 -6.158 -2.182 1.00 0.00 C ATOM 1466 C SER B 20 21.534 -5.242 -1.081 1.00 0.00 C ATOM 1467 O SER B 20 21.753 -5.497 0.105 1.00 0.00 O ATOM 1468 CB SER B 20 23.593 -6.086 -2.230 1.00 0.00 C ATOM 1469 OG SER B 20 24.019 -4.900 -2.886 1.00 0.00 O ATOM 0 H SER B 20 22.164 -5.238 -4.053 1.00 0.00 H new ATOM 0 HA SER B 20 21.746 -7.172 -1.943 1.00 0.00 H new ATOM 0 HB2 SER B 20 23.995 -6.112 -1.217 1.00 0.00 H new ATOM 0 HB3 SER B 20 23.987 -6.958 -2.752 1.00 0.00 H new ATOM 0 HG SER B 20 24.145 -5.082 -3.841 1.00 0.00 H new ATOM 1475 N ASP B 21 20.835 -4.182 -1.471 1.00 0.00 N ATOM 1476 CA ASP B 21 20.311 -3.224 -0.507 1.00 0.00 C ATOM 1477 C ASP B 21 19.181 -3.833 0.302 1.00 0.00 C ATOM 1478 O ASP B 21 18.233 -4.400 -0.250 1.00 0.00 O ATOM 1479 CB ASP B 21 19.821 -1.948 -1.197 1.00 0.00 C ATOM 1480 CG ASP B 21 20.807 -0.802 -1.086 1.00 0.00 C ATOM 1481 OD1 ASP B 21 21.224 -0.475 0.041 1.00 0.00 O ATOM 1482 OD2 ASP B 21 21.175 -0.217 -2.126 1.00 0.00 O ATOM 0 H ASP B 21 20.619 -3.966 -2.444 1.00 0.00 H new ATOM 0 HA ASP B 21 21.129 -2.962 0.165 1.00 0.00 H new ATOM 0 HB2 ASP B 21 19.634 -2.159 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP B 21 18.870 -1.646 -0.759 1.00 0.00 H new ATOM 1487 N THR B 22 19.304 -3.732 1.613 1.00 0.00 N ATOM 1488 CA THR B 22 18.272 -4.184 2.518 1.00 0.00 C ATOM 1489 C THR B 22 17.183 -3.129 2.632 1.00 0.00 C ATOM 1490 O THR B 22 17.453 -1.936 2.475 1.00 0.00 O ATOM 1491 CB THR B 22 18.858 -4.470 3.910 1.00 0.00 C ATOM 1492 OG1 THR B 22 19.751 -3.412 4.278 1.00 0.00 O ATOM 1493 CG2 THR B 22 19.599 -5.797 3.927 1.00 0.00 C ATOM 0 H THR B 22 20.121 -3.335 2.076 1.00 0.00 H new ATOM 0 HA THR B 22 17.846 -5.105 2.120 1.00 0.00 H new ATOM 0 HB THR B 22 18.038 -4.528 4.626 1.00 0.00 H new ATOM 0 HG1 THR B 22 20.124 -3.593 5.166 1.00 0.00 H new ATOM 0 HG21 THR B 22 20.004 -5.975 4.923 1.00 0.00 H new ATOM 0 HG22 THR B 22 18.911 -6.601 3.666 1.00 0.00 H new ATOM 0 HG23 THR B 22 20.414 -5.768 3.204 1.00 0.00 H new ATOM 1501 N ILE B 23 15.961 -3.563 2.901 1.00 0.00 N ATOM 1502 CA ILE B 23 14.837 -2.647 3.027 1.00 0.00 C ATOM 1503 C ILE B 23 15.115 -1.602 4.102 1.00 0.00 C ATOM 1504 O ILE B 23 14.807 -0.425 3.927 1.00 0.00 O ATOM 1505 CB ILE B 23 13.526 -3.396 3.350 1.00 0.00 C ATOM 1506 CG1 ILE B 23 13.268 -4.483 2.301 1.00 0.00 C ATOM 1507 CG2 ILE B 23 12.350 -2.427 3.419 1.00 0.00 C ATOM 1508 CD1 ILE B 23 13.238 -3.966 0.880 1.00 0.00 C ATOM 0 H ILE B 23 15.722 -4.545 3.036 1.00 0.00 H new ATOM 0 HA ILE B 23 14.714 -2.148 2.065 1.00 0.00 H new ATOM 0 HB ILE B 23 13.630 -3.869 4.326 1.00 0.00 H new ATOM 0 HG12 ILE B 23 14.042 -5.246 2.384 1.00 0.00 H new ATOM 0 HG13 ILE B 23 12.317 -4.969 2.521 1.00 0.00 H new ATOM 0 HG21 ILE B 23 11.438 -2.978 3.648 1.00 0.00 H new ATOM 0 HG22 ILE B 23 12.533 -1.688 4.199 1.00 0.00 H new ATOM 0 HG23 ILE B 23 12.238 -1.922 2.460 1.00 0.00 H new ATOM 0 HD11 ILE B 23 13.051 -4.793 0.196 1.00 0.00 H new ATOM 0 HD12 ILE B 23 12.445 -3.225 0.779 1.00 0.00 H new ATOM 0 HD13 ILE B 23 14.197 -3.506 0.640 1.00 0.00 H new ATOM 1520 N ASP B 24 15.716 -2.041 5.204 1.00 0.00 N ATOM 1521 CA ASP B 24 16.134 -1.135 6.272 1.00 0.00 C ATOM 1522 C ASP B 24 17.054 -0.034 5.742 1.00 0.00 C ATOM 1523 O ASP B 24 16.884 1.140 6.079 1.00 0.00 O ATOM 1524 CB ASP B 24 16.840 -1.914 7.386 1.00 0.00 C ATOM 1525 CG ASP B 24 17.585 -1.009 8.352 1.00 0.00 C ATOM 1526 OD1 ASP B 24 16.934 -0.331 9.175 1.00 0.00 O ATOM 1527 OD2 ASP B 24 18.834 -0.978 8.296 1.00 0.00 O ATOM 0 H ASP B 24 15.926 -3.023 5.382 1.00 0.00 H new ATOM 0 HA ASP B 24 15.238 -0.663 6.676 1.00 0.00 H new ATOM 0 HB2 ASP B 24 16.104 -2.499 7.937 1.00 0.00 H new ATOM 0 HB3 ASP B 24 17.541 -2.620 6.942 1.00 0.00 H new ATOM 1532 N ASN B 25 18.011 -0.406 4.894 1.00 0.00 N ATOM 1533 CA ASN B 25 18.954 0.570 4.352 1.00 0.00 C ATOM 1534 C ASN B 25 18.254 1.502 3.374 1.00 0.00 C ATOM 1535 O ASN B 25 18.523 2.703 3.348 1.00 0.00 O ATOM 1536 CB ASN B 25 20.137 -0.102 3.653 1.00 0.00 C ATOM 1537 CG ASN B 25 21.271 0.883 3.409 1.00 0.00 C ATOM 1538 OD1 ASN B 25 21.527 1.763 4.229 1.00 0.00 O ATOM 1539 ND2 ASN B 25 21.933 0.774 2.270 1.00 0.00 N ATOM 0 H ASN B 25 18.153 -1.363 4.571 1.00 0.00 H new ATOM 0 HA ASN B 25 19.338 1.143 5.196 1.00 0.00 H new ATOM 0 HB2 ASN B 25 20.498 -0.931 4.262 1.00 0.00 H new ATOM 0 HB3 ASN B 25 19.809 -0.523 2.703 1.00 0.00 H new ATOM 0 HD21 ASN B 25 22.681 1.432 2.050 1.00 0.00 H new ATOM 0 HD22 ASN B 25 21.696 0.032 1.611 1.00 0.00 H new ATOM 1546 N VAL B 26 17.350 0.948 2.568 1.00 0.00 N ATOM 1547 CA VAL B 26 16.551 1.753 1.660 1.00 0.00 C ATOM 1548 C VAL B 26 15.753 2.783 2.456 1.00 0.00 C ATOM 1549 O VAL B 26 15.683 3.953 2.083 1.00 0.00 O ATOM 1550 CB VAL B 26 15.588 0.883 0.820 1.00 0.00 C ATOM 1551 CG1 VAL B 26 14.812 1.739 -0.163 1.00 0.00 C ATOM 1552 CG2 VAL B 26 16.347 -0.203 0.076 1.00 0.00 C ATOM 0 H VAL B 26 17.156 -0.053 2.529 1.00 0.00 H new ATOM 0 HA VAL B 26 17.230 2.257 0.973 1.00 0.00 H new ATOM 0 HB VAL B 26 14.885 0.408 1.504 1.00 0.00 H new ATOM 0 HG11 VAL B 26 14.140 1.107 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL B 26 14.230 2.482 0.382 1.00 0.00 H new ATOM 0 HG13 VAL B 26 15.507 2.243 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL B 26 15.647 -0.801 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL B 26 17.077 0.255 -0.591 1.00 0.00 H new ATOM 0 HG23 VAL B 26 16.862 -0.843 0.792 1.00 0.00 H new ATOM 1562 N LYS B 27 15.190 2.339 3.581 1.00 0.00 N ATOM 1563 CA LYS B 27 14.445 3.218 4.478 1.00 0.00 C ATOM 1564 C LYS B 27 15.314 4.371 4.967 1.00 0.00 C ATOM 1565 O LYS B 27 14.876 5.519 4.979 1.00 0.00 O ATOM 1566 CB LYS B 27 13.920 2.446 5.688 1.00 0.00 C ATOM 1567 CG LYS B 27 12.848 1.424 5.356 1.00 0.00 C ATOM 1568 CD LYS B 27 12.403 0.686 6.602 1.00 0.00 C ATOM 1569 CE LYS B 27 11.296 -0.305 6.307 1.00 0.00 C ATOM 1570 NZ LYS B 27 10.796 -0.938 7.552 1.00 0.00 N ATOM 0 H LYS B 27 15.238 1.369 3.892 1.00 0.00 H new ATOM 0 HA LYS B 27 13.605 3.618 3.910 1.00 0.00 H new ATOM 0 HB2 LYS B 27 14.755 1.937 6.170 1.00 0.00 H new ATOM 0 HB3 LYS B 27 13.518 3.156 6.411 1.00 0.00 H new ATOM 0 HG2 LYS B 27 11.993 1.922 4.899 1.00 0.00 H new ATOM 0 HG3 LYS B 27 13.231 0.713 4.624 1.00 0.00 H new ATOM 0 HD2 LYS B 27 13.254 0.161 7.036 1.00 0.00 H new ATOM 0 HD3 LYS B 27 12.058 1.404 7.346 1.00 0.00 H new ATOM 0 HE2 LYS B 27 10.476 0.203 5.799 1.00 0.00 H new ATOM 0 HE3 LYS B 27 11.664 -1.074 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 9.943 -1.494 7.340 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 11.529 -1.564 7.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 10.565 -0.200 8.248 1.00 0.00 H new ATOM 1584 N SER B 28 16.541 4.064 5.371 1.00 0.00 N ATOM 1585 CA SER B 28 17.447 5.087 5.871 1.00 0.00 C ATOM 1586 C SER B 28 17.906 6.017 4.746 1.00 0.00 C ATOM 1587 O SER B 28 18.160 7.200 4.975 1.00 0.00 O ATOM 1588 CB SER B 28 18.638 4.443 6.592 1.00 0.00 C ATOM 1589 OG SER B 28 19.107 3.293 5.909 1.00 0.00 O ATOM 0 H SER B 28 16.928 3.120 5.362 1.00 0.00 H new ATOM 0 HA SER B 28 16.908 5.699 6.594 1.00 0.00 H new ATOM 0 HB2 SER B 28 19.446 5.169 6.679 1.00 0.00 H new ATOM 0 HB3 SER B 28 18.345 4.170 7.606 1.00 0.00 H new ATOM 0 HG SER B 28 18.971 3.407 4.945 1.00 0.00 H new ATOM 1595 N LYS B 29 17.987 5.490 3.525 1.00 0.00 N ATOM 1596 CA LYS B 29 18.312 6.318 2.368 1.00 0.00 C ATOM 1597 C LYS B 29 17.175 7.300 2.099 1.00 0.00 C ATOM 1598 O LYS B 29 17.411 8.463 1.767 1.00 0.00 O ATOM 1599 CB LYS B 29 18.576 5.460 1.123 1.00 0.00 C ATOM 1600 CG LYS B 29 19.861 4.644 1.187 1.00 0.00 C ATOM 1601 CD LYS B 29 20.093 3.871 -0.106 1.00 0.00 C ATOM 1602 CE LYS B 29 21.473 3.225 -0.134 1.00 0.00 C ATOM 1603 NZ LYS B 29 21.738 2.510 -1.414 1.00 0.00 N ATOM 0 H LYS B 29 17.834 4.504 3.314 1.00 0.00 H new ATOM 0 HA LYS B 29 19.224 6.872 2.591 1.00 0.00 H new ATOM 0 HB2 LYS B 29 17.735 4.782 0.978 1.00 0.00 H new ATOM 0 HB3 LYS B 29 18.615 6.110 0.249 1.00 0.00 H new ATOM 0 HG2 LYS B 29 20.706 5.307 1.373 1.00 0.00 H new ATOM 0 HG3 LYS B 29 19.811 3.948 2.025 1.00 0.00 H new ATOM 0 HD2 LYS B 29 19.328 3.102 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS B 29 19.989 4.544 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS B 29 22.233 3.992 0.015 1.00 0.00 H new ATOM 0 HE3 LYS B 29 21.560 2.524 0.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 22.759 2.518 -1.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 21.408 1.527 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 21.232 2.986 -2.188 1.00 0.00 H new ATOM 1617 N ILE B 30 15.944 6.829 2.267 1.00 0.00 N ATOM 1618 CA ILE B 30 14.772 7.684 2.130 1.00 0.00 C ATOM 1619 C ILE B 30 14.695 8.656 3.308 1.00 0.00 C ATOM 1620 O ILE B 30 14.292 9.804 3.154 1.00 0.00 O ATOM 1621 CB ILE B 30 13.469 6.857 2.056 1.00 0.00 C ATOM 1622 CG1 ILE B 30 13.536 5.870 0.887 1.00 0.00 C ATOM 1623 CG2 ILE B 30 12.262 7.774 1.905 1.00 0.00 C ATOM 1624 CD1 ILE B 30 12.363 4.915 0.826 1.00 0.00 C ATOM 0 H ILE B 30 15.733 5.858 2.499 1.00 0.00 H new ATOM 0 HA ILE B 30 14.874 8.239 1.198 1.00 0.00 H new ATOM 0 HB ILE B 30 13.361 6.296 2.984 1.00 0.00 H new ATOM 0 HG12 ILE B 30 13.586 6.430 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE B 30 14.458 5.294 0.962 1.00 0.00 H new ATOM 0 HG21 ILE B 30 11.353 7.174 1.855 1.00 0.00 H new ATOM 0 HG22 ILE B 30 12.206 8.446 2.761 1.00 0.00 H new ATOM 0 HG23 ILE B 30 12.362 8.359 0.991 1.00 0.00 H new ATOM 0 HD11 ILE B 30 12.481 4.248 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE B 30 12.324 4.328 1.743 1.00 0.00 H new ATOM 0 HD13 ILE B 30 11.438 5.481 0.718 1.00 0.00 H new ATOM 1636 N GLN B 31 15.106 8.188 4.480 1.00 0.00 N ATOM 1637 CA GLN B 31 15.132 9.015 5.681 1.00 0.00 C ATOM 1638 C GLN B 31 16.167 10.137 5.542 1.00 0.00 C ATOM 1639 O GLN B 31 16.065 11.177 6.191 1.00 0.00 O ATOM 1640 CB GLN B 31 15.421 8.146 6.913 1.00 0.00 C ATOM 1641 CG GLN B 31 15.380 8.901 8.233 1.00 0.00 C ATOM 1642 CD GLN B 31 15.665 8.006 9.425 1.00 0.00 C ATOM 1643 OE1 GLN B 31 16.399 7.022 9.319 1.00 0.00 O ATOM 1644 NE2 GLN B 31 15.094 8.346 10.571 1.00 0.00 N ATOM 0 H GLN B 31 15.429 7.231 4.625 1.00 0.00 H new ATOM 0 HA GLN B 31 14.154 9.479 5.810 1.00 0.00 H new ATOM 0 HB2 GLN B 31 14.695 7.334 6.949 1.00 0.00 H new ATOM 0 HB3 GLN B 31 16.404 7.689 6.799 1.00 0.00 H new ATOM 0 HG2 GLN B 31 16.110 9.710 8.208 1.00 0.00 H new ATOM 0 HG3 GLN B 31 14.399 9.361 8.354 1.00 0.00 H new ATOM 0 HE21 GLN B 31 14.493 9.169 10.617 1.00 0.00 H new ATOM 0 HE22 GLN B 31 15.256 7.785 11.408 1.00 0.00 H new ATOM 1653 N ASP B 32 17.160 9.917 4.692 1.00 0.00 N ATOM 1654 CA ASP B 32 18.138 10.952 4.364 1.00 0.00 C ATOM 1655 C ASP B 32 17.504 12.030 3.486 1.00 0.00 C ATOM 1656 O ASP B 32 17.859 13.208 3.567 1.00 0.00 O ATOM 1657 CB ASP B 32 19.342 10.331 3.642 1.00 0.00 C ATOM 1658 CG ASP B 32 20.364 11.359 3.191 1.00 0.00 C ATOM 1659 OD1 ASP B 32 21.195 11.781 4.023 1.00 0.00 O ATOM 1660 OD2 ASP B 32 20.355 11.734 1.998 1.00 0.00 O ATOM 0 H ASP B 32 17.312 9.029 4.214 1.00 0.00 H new ATOM 0 HA ASP B 32 18.477 11.413 5.292 1.00 0.00 H new ATOM 0 HB2 ASP B 32 19.826 9.614 4.306 1.00 0.00 H new ATOM 0 HB3 ASP B 32 18.989 9.774 2.774 1.00 0.00 H new ATOM 1665 N LYS B 33 16.552 11.621 2.657 1.00 0.00 N ATOM 1666 CA LYS B 33 15.916 12.530 1.709 1.00 0.00 C ATOM 1667 C LYS B 33 14.650 13.155 2.288 1.00 0.00 C ATOM 1668 O LYS B 33 14.573 14.370 2.471 1.00 0.00 O ATOM 1669 CB LYS B 33 15.575 11.791 0.412 1.00 0.00 C ATOM 1670 CG LYS B 33 16.786 11.235 -0.317 1.00 0.00 C ATOM 1671 CD LYS B 33 17.772 12.332 -0.674 1.00 0.00 C ATOM 1672 CE LYS B 33 18.939 11.789 -1.478 1.00 0.00 C ATOM 1673 NZ LYS B 33 18.528 11.360 -2.838 1.00 0.00 N ATOM 0 H LYS B 33 16.202 10.664 2.621 1.00 0.00 H new ATOM 0 HA LYS B 33 16.625 13.331 1.500 1.00 0.00 H new ATOM 0 HB2 LYS B 33 14.893 10.972 0.641 1.00 0.00 H new ATOM 0 HB3 LYS B 33 15.044 12.472 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS B 33 17.279 10.491 0.309 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.463 10.725 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS B 33 17.264 13.108 -1.247 1.00 0.00 H new ATOM 0 HD3 LYS B 33 18.143 12.800 0.238 1.00 0.00 H new ATOM 0 HE2 LYS B 33 19.711 12.554 -1.558 1.00 0.00 H new ATOM 0 HE3 LYS B 33 19.381 10.944 -0.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 19.374 11.189 -3.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 17.971 10.484 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 17.951 12.105 -3.278 1.00 0.00 H new ATOM 1687 N GLU B 34 13.667 12.318 2.582 1.00 0.00 N ATOM 1688 CA GLU B 34 12.360 12.783 3.030 1.00 0.00 C ATOM 1689 C GLU B 34 12.318 12.924 4.546 1.00 0.00 C ATOM 1690 O GLU B 34 11.515 13.685 5.083 1.00 0.00 O ATOM 1691 CB GLU B 34 11.273 11.809 2.572 1.00 0.00 C ATOM 1692 CG GLU B 34 11.244 11.583 1.071 1.00 0.00 C ATOM 1693 CD GLU B 34 10.976 12.854 0.296 1.00 0.00 C ATOM 1694 OE1 GLU B 34 9.818 13.317 0.294 1.00 0.00 O ATOM 1695 OE2 GLU B 34 11.921 13.400 -0.309 1.00 0.00 O ATOM 0 H GLU B 34 13.750 11.303 2.518 1.00 0.00 H new ATOM 0 HA GLU B 34 12.180 13.763 2.589 1.00 0.00 H new ATOM 0 HB2 GLU B 34 11.423 10.852 3.071 1.00 0.00 H new ATOM 0 HB3 GLU B 34 10.302 12.187 2.892 1.00 0.00 H new ATOM 0 HG2 GLU B 34 12.198 11.162 0.752 1.00 0.00 H new ATOM 0 HG3 GLU B 34 10.475 10.848 0.833 1.00 0.00 H new ATOM 1702 N GLY B 35 13.184 12.185 5.231 1.00 0.00 N ATOM 1703 CA GLY B 35 13.194 12.215 6.683 1.00 0.00 C ATOM 1704 C GLY B 35 12.017 11.464 7.277 1.00 0.00 C ATOM 1705 O GLY B 35 11.348 11.956 8.186 1.00 0.00 O ATOM 0 H GLY B 35 13.877 11.567 4.809 1.00 0.00 H new ATOM 0 HA2 GLY B 35 14.124 11.778 7.048 1.00 0.00 H new ATOM 0 HA3 GLY B 35 13.173 13.250 7.024 1.00 0.00 H new ATOM 1709 N ILE B 36 11.754 10.275 6.754 1.00 0.00 N ATOM 1710 CA ILE B 36 10.646 9.460 7.232 1.00 0.00 C ATOM 1711 C ILE B 36 11.164 8.323 8.110 1.00 0.00 C ATOM 1712 O ILE B 36 12.097 7.619 7.726 1.00 0.00 O ATOM 1713 CB ILE B 36 9.836 8.870 6.055 1.00 0.00 C ATOM 1714 CG1 ILE B 36 9.398 9.981 5.095 1.00 0.00 C ATOM 1715 CG2 ILE B 36 8.620 8.117 6.571 1.00 0.00 C ATOM 1716 CD1 ILE B 36 8.652 9.477 3.876 1.00 0.00 C ATOM 0 H ILE B 36 12.293 9.853 5.998 1.00 0.00 H new ATOM 0 HA ILE B 36 9.991 10.105 7.818 1.00 0.00 H new ATOM 0 HB ILE B 36 10.476 8.173 5.514 1.00 0.00 H new ATOM 0 HG12 ILE B 36 8.762 10.684 5.633 1.00 0.00 H new ATOM 0 HG13 ILE B 36 10.279 10.534 4.768 1.00 0.00 H new ATOM 0 HG21 ILE B 36 8.061 7.708 5.729 1.00 0.00 H new ATOM 0 HG22 ILE B 36 8.944 7.304 7.221 1.00 0.00 H new ATOM 0 HG23 ILE B 36 7.982 8.798 7.134 1.00 0.00 H new ATOM 0 HD11 ILE B 36 8.375 10.321 3.244 1.00 0.00 H new ATOM 0 HD12 ILE B 36 9.292 8.797 3.313 1.00 0.00 H new ATOM 0 HD13 ILE B 36 7.752 8.950 4.192 1.00 0.00 H new ATOM 1728 N PRO B 37 10.579 8.142 9.306 1.00 0.00 N ATOM 1729 CA PRO B 37 10.960 7.065 10.226 1.00 0.00 C ATOM 1730 C PRO B 37 10.847 5.683 9.583 1.00 0.00 C ATOM 1731 O PRO B 37 9.818 5.342 8.993 1.00 0.00 O ATOM 1732 CB PRO B 37 9.961 7.195 11.387 1.00 0.00 C ATOM 1733 CG PRO B 37 8.872 8.077 10.879 1.00 0.00 C ATOM 1734 CD PRO B 37 9.507 8.979 9.863 1.00 0.00 C ATOM 0 HA PRO B 37 12.001 7.155 10.536 1.00 0.00 H new ATOM 0 HB2 PRO B 37 9.572 6.220 11.681 1.00 0.00 H new ATOM 0 HB3 PRO B 37 10.437 7.627 12.268 1.00 0.00 H new ATOM 0 HG2 PRO B 37 8.071 7.489 10.431 1.00 0.00 H new ATOM 0 HG3 PRO B 37 8.428 8.655 11.690 1.00 0.00 H new ATOM 0 HD2 PRO B 37 8.796 9.288 9.097 1.00 0.00 H new ATOM 0 HD3 PRO B 37 9.900 9.888 10.319 1.00 0.00 H new ATOM 1742 N PRO B 38 11.909 4.870 9.693 1.00 0.00 N ATOM 1743 CA PRO B 38 11.957 3.521 9.108 1.00 0.00 C ATOM 1744 C PRO B 38 10.856 2.605 9.649 1.00 0.00 C ATOM 1745 O PRO B 38 10.418 1.679 8.965 1.00 0.00 O ATOM 1746 CB PRO B 38 13.341 3.000 9.514 1.00 0.00 C ATOM 1747 CG PRO B 38 14.138 4.225 9.810 1.00 0.00 C ATOM 1748 CD PRO B 38 13.164 5.208 10.386 1.00 0.00 C ATOM 0 HA PRO B 38 11.797 3.543 8.030 1.00 0.00 H new ATOM 0 HB2 PRO B 38 13.278 2.349 10.386 1.00 0.00 H new ATOM 0 HB3 PRO B 38 13.795 2.417 8.713 1.00 0.00 H new ATOM 0 HG2 PRO B 38 14.941 4.010 10.515 1.00 0.00 H new ATOM 0 HG3 PRO B 38 14.604 4.618 8.906 1.00 0.00 H new ATOM 0 HD2 PRO B 38 13.071 5.099 11.467 1.00 0.00 H new ATOM 0 HD3 PRO B 38 13.467 6.237 10.194 1.00 0.00 H new ATOM 1756 N ASP B 39 10.414 2.878 10.874 1.00 0.00 N ATOM 1757 CA ASP B 39 9.332 2.119 11.502 1.00 0.00 C ATOM 1758 C ASP B 39 8.033 2.293 10.727 1.00 0.00 C ATOM 1759 O ASP B 39 7.231 1.370 10.608 1.00 0.00 O ATOM 1760 CB ASP B 39 9.105 2.600 12.940 1.00 0.00 C ATOM 1761 CG ASP B 39 10.336 2.483 13.814 1.00 0.00 C ATOM 1762 OD1 ASP B 39 11.255 3.319 13.668 1.00 0.00 O ATOM 1763 OD2 ASP B 39 10.380 1.570 14.665 1.00 0.00 O ATOM 0 H ASP B 39 10.791 3.625 11.457 1.00 0.00 H new ATOM 0 HA ASP B 39 9.622 1.068 11.502 1.00 0.00 H new ATOM 0 HB2 ASP B 39 8.780 3.640 12.920 1.00 0.00 H new ATOM 0 HB3 ASP B 39 8.296 2.021 13.385 1.00 0.00 H new ATOM 1768 N GLN B 40 7.848 3.490 10.199 1.00 0.00 N ATOM 1769 CA GLN B 40 6.605 3.872 9.549 1.00 0.00 C ATOM 1770 C GLN B 40 6.563 3.366 8.106 1.00 0.00 C ATOM 1771 O GLN B 40 5.506 3.033 7.583 1.00 0.00 O ATOM 1772 CB GLN B 40 6.483 5.398 9.583 1.00 0.00 C ATOM 1773 CG GLN B 40 5.164 5.939 9.070 1.00 0.00 C ATOM 1774 CD GLN B 40 5.164 7.452 8.978 1.00 0.00 C ATOM 1775 OE1 GLN B 40 4.804 8.148 9.926 1.00 0.00 O ATOM 1776 NE2 GLN B 40 5.573 7.971 7.833 1.00 0.00 N ATOM 0 H GLN B 40 8.555 4.225 10.208 1.00 0.00 H new ATOM 0 HA GLN B 40 5.767 3.420 10.080 1.00 0.00 H new ATOM 0 HB2 GLN B 40 6.625 5.738 10.609 1.00 0.00 H new ATOM 0 HB3 GLN B 40 7.291 5.827 8.991 1.00 0.00 H new ATOM 0 HG2 GLN B 40 4.958 5.517 8.087 1.00 0.00 H new ATOM 0 HG3 GLN B 40 4.359 5.617 9.731 1.00 0.00 H new ATOM 0 HE21 GLN B 40 5.864 7.359 7.071 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.598 8.983 7.712 1.00 0.00 H new ATOM 1785 N GLN B 41 7.725 3.289 7.481 1.00 0.00 N ATOM 1786 CA GLN B 41 7.813 2.946 6.067 1.00 0.00 C ATOM 1787 C GLN B 41 7.690 1.445 5.834 1.00 0.00 C ATOM 1788 O GLN B 41 8.474 0.663 6.366 1.00 0.00 O ATOM 1789 CB GLN B 41 9.144 3.432 5.492 1.00 0.00 C ATOM 1790 CG GLN B 41 9.344 4.931 5.583 1.00 0.00 C ATOM 1791 CD GLN B 41 10.666 5.372 4.989 1.00 0.00 C ATOM 1792 OE1 GLN B 41 10.756 5.645 3.797 1.00 0.00 O ATOM 1793 NE2 GLN B 41 11.698 5.453 5.815 1.00 0.00 N ATOM 0 H GLN B 41 8.625 3.459 7.930 1.00 0.00 H new ATOM 0 HA GLN B 41 6.981 3.439 5.564 1.00 0.00 H new ATOM 0 HB2 GLN B 41 9.959 2.935 6.018 1.00 0.00 H new ATOM 0 HB3 GLN B 41 9.208 3.130 4.447 1.00 0.00 H new ATOM 0 HG2 GLN B 41 8.529 5.436 5.065 1.00 0.00 H new ATOM 0 HG3 GLN B 41 9.297 5.239 6.628 1.00 0.00 H new ATOM 0 HE21 GLN B 41 11.582 5.217 6.801 1.00 0.00 H new ATOM 0 HE22 GLN B 41 12.609 5.751 5.466 1.00 0.00 H new ATOM 1802 N ARG B 42 6.694 1.043 5.052 1.00 0.00 N ATOM 1803 CA ARG B 42 6.642 -0.315 4.533 1.00 0.00 C ATOM 1804 C ARG B 42 6.356 -0.302 3.038 1.00 0.00 C ATOM 1805 O ARG B 42 5.306 0.158 2.591 1.00 0.00 O ATOM 1806 CB ARG B 42 5.611 -1.178 5.263 1.00 0.00 C ATOM 1807 CG ARG B 42 6.247 -2.144 6.251 1.00 0.00 C ATOM 1808 CD ARG B 42 5.300 -3.266 6.637 1.00 0.00 C ATOM 1809 NE ARG B 42 5.967 -4.266 7.468 1.00 0.00 N ATOM 1810 CZ ARG B 42 5.714 -5.574 7.426 1.00 0.00 C ATOM 1811 NH1 ARG B 42 4.810 -6.065 6.586 1.00 0.00 N ATOM 1812 NH2 ARG B 42 6.377 -6.393 8.228 1.00 0.00 N ATOM 0 H ARG B 42 5.916 1.637 4.766 1.00 0.00 H new ATOM 0 HA ARG B 42 7.620 -0.763 4.709 1.00 0.00 H new ATOM 0 HB2 ARG B 42 4.912 -0.531 5.793 1.00 0.00 H new ATOM 0 HB3 ARG B 42 5.032 -1.742 4.532 1.00 0.00 H new ATOM 0 HG2 ARG B 42 7.151 -2.567 5.814 1.00 0.00 H new ATOM 0 HG3 ARG B 42 6.550 -1.601 7.146 1.00 0.00 H new ATOM 0 HD2 ARG B 42 4.446 -2.854 7.175 1.00 0.00 H new ATOM 0 HD3 ARG B 42 4.910 -3.741 5.737 1.00 0.00 H new ATOM 0 HE ARG B 42 6.675 -3.940 8.126 1.00 0.00 H new ATOM 0 HH11 ARG B 42 4.300 -5.439 5.963 1.00 0.00 H new ATOM 0 HH12 ARG B 42 4.626 -7.068 6.564 1.00 0.00 H new ATOM 0 HH21 ARG B 42 7.076 -6.022 8.872 1.00 0.00 H new ATOM 0 HH22 ARG B 42 6.189 -7.395 8.202 1.00 0.00 H new ATOM 1826 N LEU B 43 7.314 -0.795 2.275 1.00 0.00 N ATOM 1827 CA LEU B 43 7.200 -0.837 0.828 1.00 0.00 C ATOM 1828 C LEU B 43 6.370 -2.037 0.399 1.00 0.00 C ATOM 1829 O LEU B 43 6.577 -3.147 0.885 1.00 0.00 O ATOM 1830 CB LEU B 43 8.593 -0.922 0.198 1.00 0.00 C ATOM 1831 CG LEU B 43 9.546 0.221 0.550 1.00 0.00 C ATOM 1832 CD1 LEU B 43 10.952 -0.085 0.059 1.00 0.00 C ATOM 1833 CD2 LEU B 43 9.053 1.526 -0.050 1.00 0.00 C ATOM 0 H LEU B 43 8.188 -1.176 2.637 1.00 0.00 H new ATOM 0 HA LEU B 43 6.706 0.074 0.490 1.00 0.00 H new ATOM 0 HB2 LEU B 43 9.053 -1.862 0.502 1.00 0.00 H new ATOM 0 HB3 LEU B 43 8.481 -0.958 -0.886 1.00 0.00 H new ATOM 0 HG LEU B 43 9.572 0.323 1.635 1.00 0.00 H new ATOM 0 HD11 LEU B 43 11.616 0.740 0.319 1.00 0.00 H new ATOM 0 HD12 LEU B 43 11.310 -1.001 0.529 1.00 0.00 H new ATOM 0 HD13 LEU B 43 10.939 -0.214 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU B 43 9.742 2.329 0.210 1.00 0.00 H new ATOM 0 HD22 LEU B 43 8.999 1.430 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU B 43 8.063 1.756 0.343 1.00 0.00 H new ATOM 1845 N ILE B 44 5.421 -1.814 -0.490 1.00 0.00 N ATOM 1846 CA ILE B 44 4.628 -2.906 -1.024 1.00 0.00 C ATOM 1847 C ILE B 44 4.805 -2.997 -2.534 1.00 0.00 C ATOM 1848 O ILE B 44 4.622 -2.009 -3.259 1.00 0.00 O ATOM 1849 CB ILE B 44 3.127 -2.758 -0.681 1.00 0.00 C ATOM 1850 CG1 ILE B 44 2.935 -2.652 0.833 1.00 0.00 C ATOM 1851 CG2 ILE B 44 2.337 -3.937 -1.234 1.00 0.00 C ATOM 1852 CD1 ILE B 44 1.489 -2.507 1.257 1.00 0.00 C ATOM 0 H ILE B 44 5.181 -0.893 -0.856 1.00 0.00 H new ATOM 0 HA ILE B 44 4.986 -3.823 -0.557 1.00 0.00 H new ATOM 0 HB ILE B 44 2.754 -1.844 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.355 -3.539 1.306 1.00 0.00 H new ATOM 0 HG13 ILE B 44 3.500 -1.796 1.202 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.283 -3.818 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.451 -3.975 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.711 -4.863 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE B 44 1.434 -2.438 2.343 1.00 0.00 H new ATOM 0 HD12 ILE B 44 1.069 -1.604 0.814 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.922 -3.375 0.919 1.00 0.00 H new ATOM 1864 N PHE B 45 5.176 -4.182 -2.997 1.00 0.00 N ATOM 1865 CA PHE B 45 5.398 -4.422 -4.412 1.00 0.00 C ATOM 1866 C PHE B 45 4.600 -5.634 -4.870 1.00 0.00 C ATOM 1867 O PHE B 45 4.814 -6.744 -4.381 1.00 0.00 O ATOM 1868 CB PHE B 45 6.890 -4.635 -4.685 1.00 0.00 C ATOM 1869 CG PHE B 45 7.211 -4.907 -6.129 1.00 0.00 C ATOM 1870 CD1 PHE B 45 7.113 -3.899 -7.076 1.00 0.00 C ATOM 1871 CD2 PHE B 45 7.617 -6.168 -6.537 1.00 0.00 C ATOM 1872 CE1 PHE B 45 7.410 -4.145 -8.402 1.00 0.00 C ATOM 1873 CE2 PHE B 45 7.916 -6.418 -7.862 1.00 0.00 C ATOM 1874 CZ PHE B 45 7.813 -5.406 -8.796 1.00 0.00 C ATOM 0 H PHE B 45 5.330 -4.998 -2.405 1.00 0.00 H new ATOM 0 HA PHE B 45 5.062 -3.550 -4.973 1.00 0.00 H new ATOM 0 HB2 PHE B 45 7.439 -3.751 -4.361 1.00 0.00 H new ATOM 0 HB3 PHE B 45 7.245 -5.470 -4.080 1.00 0.00 H new ATOM 0 HD1 PHE B 45 6.801 -2.910 -6.773 1.00 0.00 H new ATOM 0 HD2 PHE B 45 7.700 -6.963 -5.811 1.00 0.00 H new ATOM 0 HE1 PHE B 45 7.327 -3.352 -9.130 1.00 0.00 H new ATOM 0 HE2 PHE B 45 8.230 -7.405 -8.168 1.00 0.00 H new ATOM 0 HZ PHE B 45 8.047 -5.600 -9.832 1.00 0.00 H new ATOM 1884 N ALA B 46 3.651 -5.395 -5.774 1.00 0.00 N ATOM 1885 CA ALA B 46 2.838 -6.457 -6.366 1.00 0.00 C ATOM 1886 C ALA B 46 2.025 -7.197 -5.303 1.00 0.00 C ATOM 1887 O ALA B 46 1.663 -8.358 -5.480 1.00 0.00 O ATOM 1888 CB ALA B 46 3.715 -7.431 -7.146 1.00 0.00 C ATOM 0 H ALA B 46 3.424 -4.461 -6.116 1.00 0.00 H new ATOM 0 HA ALA B 46 2.135 -5.992 -7.057 1.00 0.00 H new ATOM 0 HB1 ALA B 46 3.093 -8.214 -7.579 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.233 -6.897 -7.943 1.00 0.00 H new ATOM 0 HB3 ALA B 46 4.447 -7.879 -6.474 1.00 0.00 H new ATOM 1894 N GLY B 47 1.739 -6.511 -4.203 1.00 0.00 N ATOM 1895 CA GLY B 47 0.946 -7.107 -3.145 1.00 0.00 C ATOM 1896 C GLY B 47 1.794 -7.651 -2.012 1.00 0.00 C ATOM 1897 O GLY B 47 1.280 -7.947 -0.932 1.00 0.00 O ATOM 0 H GLY B 47 2.042 -5.553 -4.025 1.00 0.00 H new ATOM 0 HA2 GLY B 47 0.255 -6.362 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY B 47 0.342 -7.913 -3.560 1.00 0.00 H new ATOM 1901 N LYS B 48 3.093 -7.780 -2.257 1.00 0.00 N ATOM 1902 CA LYS B 48 4.015 -8.278 -1.243 1.00 0.00 C ATOM 1903 C LYS B 48 4.489 -7.136 -0.357 1.00 0.00 C ATOM 1904 O LYS B 48 4.932 -6.101 -0.857 1.00 0.00 O ATOM 1905 CB LYS B 48 5.241 -8.956 -1.876 1.00 0.00 C ATOM 1906 CG LYS B 48 4.952 -10.251 -2.628 1.00 0.00 C ATOM 1907 CD LYS B 48 4.352 -9.996 -4.003 1.00 0.00 C ATOM 1908 CE LYS B 48 4.201 -11.286 -4.795 1.00 0.00 C ATOM 1909 NZ LYS B 48 3.267 -12.244 -4.144 1.00 0.00 N ATOM 0 H LYS B 48 3.531 -7.547 -3.148 1.00 0.00 H new ATOM 0 HA LYS B 48 3.475 -9.015 -0.649 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.710 -8.253 -2.564 1.00 0.00 H new ATOM 0 HB3 LYS B 48 5.966 -9.165 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.875 -10.820 -2.736 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.267 -10.864 -2.042 1.00 0.00 H new ATOM 0 HD2 LYS B 48 3.378 -9.520 -3.893 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.986 -9.302 -4.554 1.00 0.00 H new ATOM 0 HE2 LYS B 48 3.840 -11.054 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS B 48 5.178 -11.756 -4.909 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 3.105 -13.054 -4.776 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.680 -12.579 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 2.362 -11.769 -3.950 1.00 0.00 H new ATOM 1923 N GLN B 49 4.390 -7.321 0.950 1.00 0.00 N ATOM 1924 CA GLN B 49 4.904 -6.340 1.891 1.00 0.00 C ATOM 1925 C GLN B 49 6.373 -6.624 2.159 1.00 0.00 C ATOM 1926 O GLN B 49 6.717 -7.675 2.693 1.00 0.00 O ATOM 1927 CB GLN B 49 4.127 -6.362 3.210 1.00 0.00 C ATOM 1928 CG GLN B 49 2.621 -6.279 3.044 1.00 0.00 C ATOM 1929 CD GLN B 49 1.906 -6.008 4.355 1.00 0.00 C ATOM 1930 OE1 GLN B 49 2.424 -5.299 5.228 1.00 0.00 O ATOM 1931 NE2 GLN B 49 0.727 -6.586 4.514 1.00 0.00 N ATOM 0 H GLN B 49 3.960 -8.139 1.382 1.00 0.00 H new ATOM 0 HA GLN B 49 4.785 -5.350 1.450 1.00 0.00 H new ATOM 0 HB2 GLN B 49 4.372 -7.277 3.748 1.00 0.00 H new ATOM 0 HB3 GLN B 49 4.460 -5.529 3.829 1.00 0.00 H new ATOM 0 HG2 GLN B 49 2.380 -5.489 2.332 1.00 0.00 H new ATOM 0 HG3 GLN B 49 2.253 -7.213 2.620 1.00 0.00 H new ATOM 0 HE21 GLN B 49 0.337 -7.162 3.768 1.00 0.00 H new ATOM 0 HE22 GLN B 49 0.208 -6.455 5.382 1.00 0.00 H new ATOM 1940 N LEU B 50 7.228 -5.694 1.772 1.00 0.00 N ATOM 1941 CA LEU B 50 8.666 -5.866 1.923 1.00 0.00 C ATOM 1942 C LEU B 50 9.069 -5.801 3.391 1.00 0.00 C ATOM 1943 O LEU B 50 8.945 -4.756 4.036 1.00 0.00 O ATOM 1944 CB LEU B 50 9.425 -4.808 1.112 1.00 0.00 C ATOM 1945 CG LEU B 50 9.552 -5.079 -0.398 1.00 0.00 C ATOM 1946 CD1 LEU B 50 8.189 -5.206 -1.065 1.00 0.00 C ATOM 1947 CD2 LEU B 50 10.350 -3.973 -1.064 1.00 0.00 C ATOM 0 H LEU B 50 6.952 -4.808 1.349 1.00 0.00 H new ATOM 0 HA LEU B 50 8.931 -6.851 1.539 1.00 0.00 H new ATOM 0 HB2 LEU B 50 8.927 -3.848 1.248 1.00 0.00 H new ATOM 0 HB3 LEU B 50 10.427 -4.709 1.529 1.00 0.00 H new ATOM 0 HG LEU B 50 10.074 -6.028 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU B 50 8.321 -5.397 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU B 50 7.639 -6.032 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU B 50 7.630 -4.280 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU B 50 10.433 -4.176 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU B 50 9.845 -3.019 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU B 50 11.347 -3.928 -0.625 1.00 0.00 H new ATOM 1959 N GLU B 51 9.527 -6.932 3.914 1.00 0.00 N ATOM 1960 CA GLU B 51 9.977 -7.022 5.295 1.00 0.00 C ATOM 1961 C GLU B 51 11.211 -6.155 5.514 1.00 0.00 C ATOM 1962 O GLU B 51 12.057 -6.013 4.631 1.00 0.00 O ATOM 1963 CB GLU B 51 10.285 -8.477 5.663 1.00 0.00 C ATOM 1964 CG GLU B 51 10.761 -8.665 7.098 1.00 0.00 C ATOM 1965 CD GLU B 51 9.716 -8.273 8.122 1.00 0.00 C ATOM 1966 OE1 GLU B 51 9.612 -7.070 8.447 1.00 0.00 O ATOM 1967 OE2 GLU B 51 9.000 -9.173 8.612 1.00 0.00 O ATOM 0 H GLU B 51 9.596 -7.807 3.395 1.00 0.00 H new ATOM 0 HA GLU B 51 9.177 -6.658 5.940 1.00 0.00 H new ATOM 0 HB2 GLU B 51 9.389 -9.078 5.506 1.00 0.00 H new ATOM 0 HB3 GLU B 51 11.048 -8.859 4.985 1.00 0.00 H new ATOM 0 HG2 GLU B 51 11.038 -9.708 7.250 1.00 0.00 H new ATOM 0 HG3 GLU B 51 11.660 -8.070 7.258 1.00 0.00 H new ATOM 1974 N ASP B 52 11.314 -5.610 6.713 1.00 0.00 N ATOM 1975 CA ASP B 52 12.365 -4.661 7.064 1.00 0.00 C ATOM 1976 C ASP B 52 13.758 -5.269 6.889 1.00 0.00 C ATOM 1977 O ASP B 52 14.686 -4.601 6.430 1.00 0.00 O ATOM 1978 CB ASP B 52 12.161 -4.200 8.508 1.00 0.00 C ATOM 1979 CG ASP B 52 13.147 -3.139 8.939 1.00 0.00 C ATOM 1980 OD1 ASP B 52 13.051 -2.002 8.436 1.00 0.00 O ATOM 1981 OD2 ASP B 52 13.989 -3.421 9.815 1.00 0.00 O ATOM 0 H ASP B 52 10.669 -5.812 7.477 1.00 0.00 H new ATOM 0 HA ASP B 52 12.300 -3.807 6.390 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.148 -3.812 8.619 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.248 -5.059 9.173 1.00 0.00 H new ATOM 1986 N GLY B 53 13.890 -6.549 7.217 1.00 0.00 N ATOM 1987 CA GLY B 53 15.188 -7.196 7.169 1.00 0.00 C ATOM 1988 C GLY B 53 15.407 -8.012 5.904 1.00 0.00 C ATOM 1989 O GLY B 53 16.180 -8.970 5.906 1.00 0.00 O ATOM 0 H GLY B 53 13.122 -7.150 7.515 1.00 0.00 H new ATOM 0 HA2 GLY B 53 15.967 -6.438 7.243 1.00 0.00 H new ATOM 0 HA3 GLY B 53 15.294 -7.848 8.036 1.00 0.00 H new ATOM 1993 N ARG B 54 14.729 -7.647 4.826 1.00 0.00 N ATOM 1994 CA ARG B 54 14.899 -8.341 3.554 1.00 0.00 C ATOM 1995 C ARG B 54 15.672 -7.487 2.562 1.00 0.00 C ATOM 1996 O ARG B 54 15.925 -6.308 2.810 1.00 0.00 O ATOM 1997 CB ARG B 54 13.540 -8.713 2.967 1.00 0.00 C ATOM 1998 CG ARG B 54 12.814 -9.785 3.758 1.00 0.00 C ATOM 1999 CD ARG B 54 13.477 -11.141 3.592 1.00 0.00 C ATOM 2000 NE ARG B 54 12.906 -12.141 4.489 1.00 0.00 N ATOM 2001 CZ ARG B 54 12.435 -13.320 4.088 1.00 0.00 C ATOM 2002 NH1 ARG B 54 12.366 -13.614 2.793 1.00 0.00 N ATOM 2003 NH2 ARG B 54 12.012 -14.201 4.984 1.00 0.00 N ATOM 0 H ARG B 54 14.059 -6.878 4.804 1.00 0.00 H new ATOM 0 HA ARG B 54 15.470 -9.250 3.743 1.00 0.00 H new ATOM 0 HB2 ARG B 54 12.916 -7.821 2.921 1.00 0.00 H new ATOM 0 HB3 ARG B 54 13.678 -9.059 1.942 1.00 0.00 H new ATOM 0 HG2 ARG B 54 12.798 -9.513 4.813 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.777 -9.843 3.428 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.367 -11.475 2.560 1.00 0.00 H new ATOM 0 HD3 ARG B 54 14.546 -11.048 3.785 1.00 0.00 H new ATOM 0 HE ARG B 54 12.865 -11.923 5.485 1.00 0.00 H new ATOM 0 HH11 ARG B 54 12.675 -12.934 2.098 1.00 0.00 H new ATOM 0 HH12 ARG B 54 12.004 -14.520 2.494 1.00 0.00 H new ATOM 0 HH21 ARG B 54 12.048 -13.975 5.978 1.00 0.00 H new ATOM 0 HH22 ARG B 54 11.651 -15.105 4.679 1.00 0.00 H new ATOM 2017 N THR B 55 16.053 -8.092 1.449 1.00 0.00 N ATOM 2018 CA THR B 55 16.744 -7.385 0.384 1.00 0.00 C ATOM 2019 C THR B 55 15.809 -7.177 -0.799 1.00 0.00 C ATOM 2020 O THR B 55 14.734 -7.778 -0.862 1.00 0.00 O ATOM 2021 CB THR B 55 17.981 -8.170 -0.092 1.00 0.00 C ATOM 2022 OG1 THR B 55 17.577 -9.472 -0.538 1.00 0.00 O ATOM 2023 CG2 THR B 55 19.010 -8.303 1.023 1.00 0.00 C ATOM 0 H THR B 55 15.893 -9.081 1.259 1.00 0.00 H new ATOM 0 HA THR B 55 17.065 -6.422 0.780 1.00 0.00 H new ATOM 0 HB THR B 55 18.442 -7.623 -0.915 1.00 0.00 H new ATOM 0 HG1 THR B 55 18.363 -9.972 -0.843 1.00 0.00 H new ATOM 0 HG21 THR B 55 19.872 -8.861 0.658 1.00 0.00 H new ATOM 0 HG22 THR B 55 19.329 -7.311 1.344 1.00 0.00 H new ATOM 0 HG23 THR B 55 18.566 -8.831 1.867 1.00 0.00 H new ATOM 2031 N LEU B 56 16.215 -6.333 -1.736 1.00 0.00 N ATOM 2032 CA LEU B 56 15.431 -6.108 -2.944 1.00 0.00 C ATOM 2033 C LEU B 56 15.519 -7.317 -3.869 1.00 0.00 C ATOM 2034 O LEU B 56 14.612 -7.578 -4.661 1.00 0.00 O ATOM 2035 CB LEU B 56 15.923 -4.855 -3.668 1.00 0.00 C ATOM 2036 CG LEU B 56 15.871 -3.571 -2.840 1.00 0.00 C ATOM 2037 CD1 LEU B 56 16.461 -2.416 -3.624 1.00 0.00 C ATOM 2038 CD2 LEU B 56 14.444 -3.251 -2.427 1.00 0.00 C ATOM 0 H LEU B 56 17.079 -5.794 -1.685 1.00 0.00 H new ATOM 0 HA LEU B 56 14.389 -5.963 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU B 56 16.951 -5.020 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.324 -4.714 -4.568 1.00 0.00 H new ATOM 0 HG LEU B 56 16.462 -3.723 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.418 -1.508 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU B 56 17.499 -2.637 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU B 56 15.891 -2.271 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU B 56 14.433 -2.333 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU B 56 13.828 -3.119 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU B 56 14.046 -4.070 -1.828 1.00 0.00 H new ATOM 2050 N SER B 57 16.614 -8.056 -3.753 1.00 0.00 N ATOM 2051 CA SER B 57 16.829 -9.242 -4.563 1.00 0.00 C ATOM 2052 C SER B 57 15.862 -10.358 -4.157 1.00 0.00 C ATOM 2053 O SER B 57 15.389 -11.118 -5.002 1.00 0.00 O ATOM 2054 CB SER B 57 18.284 -9.711 -4.426 1.00 0.00 C ATOM 2055 OG SER B 57 18.555 -10.825 -5.258 1.00 0.00 O ATOM 0 H SER B 57 17.371 -7.851 -3.100 1.00 0.00 H new ATOM 0 HA SER B 57 16.636 -8.993 -5.607 1.00 0.00 H new ATOM 0 HB2 SER B 57 18.956 -8.892 -4.683 1.00 0.00 H new ATOM 0 HB3 SER B 57 18.485 -9.974 -3.388 1.00 0.00 H new ATOM 0 HG SER B 57 19.490 -11.096 -5.147 1.00 0.00 H new ATOM 2061 N ASP B 58 15.545 -10.429 -2.864 1.00 0.00 N ATOM 2062 CA ASP B 58 14.689 -11.493 -2.335 1.00 0.00 C ATOM 2063 C ASP B 58 13.273 -11.422 -2.908 1.00 0.00 C ATOM 2064 O ASP B 58 12.649 -12.448 -3.173 1.00 0.00 O ATOM 2065 CB ASP B 58 14.639 -11.427 -0.803 1.00 0.00 C ATOM 2066 CG ASP B 58 13.826 -12.558 -0.200 1.00 0.00 C ATOM 2067 OD1 ASP B 58 14.206 -13.733 -0.382 1.00 0.00 O ATOM 2068 OD2 ASP B 58 12.811 -12.275 0.471 1.00 0.00 O ATOM 0 H ASP B 58 15.868 -9.762 -2.163 1.00 0.00 H new ATOM 0 HA ASP B 58 15.125 -12.444 -2.641 1.00 0.00 H new ATOM 0 HB2 ASP B 58 15.654 -11.462 -0.407 1.00 0.00 H new ATOM 0 HB3 ASP B 58 14.211 -10.472 -0.497 1.00 0.00 H new ATOM 2073 N TYR B 59 12.776 -10.207 -3.116 1.00 0.00 N ATOM 2074 CA TYR B 59 11.421 -10.013 -3.631 1.00 0.00 C ATOM 2075 C TYR B 59 11.403 -9.938 -5.153 1.00 0.00 C ATOM 2076 O TYR B 59 10.345 -9.761 -5.755 1.00 0.00 O ATOM 2077 CB TYR B 59 10.802 -8.744 -3.044 1.00 0.00 C ATOM 2078 CG TYR B 59 10.452 -8.873 -1.583 1.00 0.00 C ATOM 2079 CD1 TYR B 59 9.203 -9.334 -1.196 1.00 0.00 C ATOM 2080 CD2 TYR B 59 11.368 -8.546 -0.597 1.00 0.00 C ATOM 2081 CE1 TYR B 59 8.878 -9.473 0.137 1.00 0.00 C ATOM 2082 CE2 TYR B 59 11.050 -8.679 0.738 1.00 0.00 C ATOM 2083 CZ TYR B 59 9.805 -9.142 1.101 1.00 0.00 C ATOM 2084 OH TYR B 59 9.489 -9.286 2.431 1.00 0.00 O ATOM 0 H TYR B 59 13.288 -9.343 -2.937 1.00 0.00 H new ATOM 0 HA TYR B 59 10.831 -10.877 -3.327 1.00 0.00 H new ATOM 0 HB2 TYR B 59 11.498 -7.915 -3.172 1.00 0.00 H new ATOM 0 HB3 TYR B 59 9.902 -8.494 -3.606 1.00 0.00 H new ATOM 0 HD1 TYR B 59 8.473 -9.588 -1.950 1.00 0.00 H new ATOM 0 HD2 TYR B 59 12.345 -8.182 -0.878 1.00 0.00 H new ATOM 0 HE1 TYR B 59 7.903 -9.839 0.423 1.00 0.00 H new ATOM 0 HE2 TYR B 59 11.775 -8.421 1.496 1.00 0.00 H new ATOM 0 HH TYR B 59 8.553 -9.033 2.574 1.00 0.00 H new ATOM 2094 N ASN B 60 12.576 -10.091 -5.759 1.00 0.00 N ATOM 2095 CA ASN B 60 12.726 -9.975 -7.209 1.00 0.00 C ATOM 2096 C ASN B 60 12.273 -8.594 -7.679 1.00 0.00 C ATOM 2097 O ASN B 60 11.204 -8.427 -8.271 1.00 0.00 O ATOM 2098 CB ASN B 60 11.957 -11.091 -7.939 1.00 0.00 C ATOM 2099 CG ASN B 60 12.159 -11.063 -9.446 1.00 0.00 C ATOM 2100 OD1 ASN B 60 11.358 -10.492 -10.188 1.00 0.00 O ATOM 2101 ND2 ASN B 60 13.241 -11.670 -9.910 1.00 0.00 N ATOM 0 H ASN B 60 13.444 -10.297 -5.265 1.00 0.00 H new ATOM 0 HA ASN B 60 13.781 -10.092 -7.455 1.00 0.00 H new ATOM 0 HB2 ASN B 60 12.278 -12.058 -7.553 1.00 0.00 H new ATOM 0 HB3 ASN B 60 10.894 -10.996 -7.719 1.00 0.00 H new ATOM 0 HD21 ASN B 60 13.433 -11.675 -10.912 1.00 0.00 H new ATOM 0 HD22 ASN B 60 13.882 -12.133 -9.266 1.00 0.00 H new ATOM 2108 N ILE B 61 13.076 -7.591 -7.360 1.00 0.00 N ATOM 2109 CA ILE B 61 12.794 -6.228 -7.773 1.00 0.00 C ATOM 2110 C ILE B 61 13.814 -5.785 -8.810 1.00 0.00 C ATOM 2111 O ILE B 61 15.022 -5.862 -8.581 1.00 0.00 O ATOM 2112 CB ILE B 61 12.807 -5.259 -6.569 1.00 0.00 C ATOM 2113 CG1 ILE B 61 11.743 -5.676 -5.548 1.00 0.00 C ATOM 2114 CG2 ILE B 61 12.578 -3.824 -7.028 1.00 0.00 C ATOM 2115 CD1 ILE B 61 11.706 -4.807 -4.310 1.00 0.00 C ATOM 0 H ILE B 61 13.931 -7.698 -6.814 1.00 0.00 H new ATOM 0 HA ILE B 61 11.795 -6.205 -8.209 1.00 0.00 H new ATOM 0 HB ILE B 61 13.787 -5.308 -6.094 1.00 0.00 H new ATOM 0 HG12 ILE B 61 10.764 -5.650 -6.027 1.00 0.00 H new ATOM 0 HG13 ILE B 61 11.925 -6.708 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE B 61 12.591 -3.159 -6.164 1.00 0.00 H new ATOM 0 HG22 ILE B 61 13.367 -3.533 -7.721 1.00 0.00 H new ATOM 0 HG23 ILE B 61 11.612 -3.751 -7.527 1.00 0.00 H new ATOM 0 HD11 ILE B 61 10.928 -5.166 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE B 61 12.671 -4.851 -3.805 1.00 0.00 H new ATOM 0 HD13 ILE B 61 11.492 -3.777 -4.595 1.00 0.00 H new ATOM 2127 N GLN B 62 13.322 -5.337 -9.954 1.00 0.00 N ATOM 2128 CA GLN B 62 14.184 -4.945 -11.057 1.00 0.00 C ATOM 2129 C GLN B 62 14.356 -3.432 -11.091 1.00 0.00 C ATOM 2130 O GLN B 62 13.851 -2.722 -10.217 1.00 0.00 O ATOM 2131 CB GLN B 62 13.596 -5.449 -12.374 1.00 0.00 C ATOM 2132 CG GLN B 62 13.400 -6.957 -12.402 1.00 0.00 C ATOM 2133 CD GLN B 62 12.667 -7.435 -13.637 1.00 0.00 C ATOM 2134 OE1 GLN B 62 11.844 -6.716 -14.205 1.00 0.00 O ATOM 2135 NE2 GLN B 62 12.953 -8.657 -14.058 1.00 0.00 N ATOM 0 H GLN B 62 12.325 -5.236 -10.143 1.00 0.00 H new ATOM 0 HA GLN B 62 15.167 -5.393 -10.914 1.00 0.00 H new ATOM 0 HB2 GLN B 62 12.637 -4.961 -12.547 1.00 0.00 H new ATOM 0 HB3 GLN B 62 14.254 -5.159 -13.193 1.00 0.00 H new ATOM 0 HG2 GLN B 62 14.373 -7.445 -12.352 1.00 0.00 H new ATOM 0 HG3 GLN B 62 12.844 -7.262 -11.515 1.00 0.00 H new ATOM 0 HE21 GLN B 62 13.641 -9.220 -13.559 1.00 0.00 H new ATOM 0 HE22 GLN B 62 12.485 -9.035 -14.882 1.00 0.00 H new ATOM 2144 N LYS B 63 15.058 -2.937 -12.099 1.00 0.00 N ATOM 2145 CA LYS B 63 15.310 -1.509 -12.212 1.00 0.00 C ATOM 2146 C LYS B 63 14.030 -0.745 -12.506 1.00 0.00 C ATOM 2147 O LYS B 63 13.181 -1.210 -13.268 1.00 0.00 O ATOM 2148 CB LYS B 63 16.328 -1.206 -13.310 1.00 0.00 C ATOM 2149 CG LYS B 63 17.695 -1.815 -13.076 1.00 0.00 C ATOM 2150 CD LYS B 63 18.778 -1.144 -13.919 1.00 0.00 C ATOM 2151 CE LYS B 63 18.508 -1.241 -15.418 1.00 0.00 C ATOM 2152 NZ LYS B 63 17.564 -0.194 -15.905 1.00 0.00 N ATOM 0 H LYS B 63 15.462 -3.500 -12.847 1.00 0.00 H new ATOM 0 HA LYS B 63 15.712 -1.186 -11.252 1.00 0.00 H new ATOM 0 HB2 LYS B 63 15.939 -1.570 -14.261 1.00 0.00 H new ATOM 0 HB3 LYS B 63 16.435 -0.125 -13.402 1.00 0.00 H new ATOM 0 HG2 LYS B 63 17.953 -1.729 -12.021 1.00 0.00 H new ATOM 0 HG3 LYS B 63 17.662 -2.879 -13.310 1.00 0.00 H new ATOM 0 HD2 LYS B 63 18.854 -0.094 -13.636 1.00 0.00 H new ATOM 0 HD3 LYS B 63 19.741 -1.604 -13.698 1.00 0.00 H new ATOM 0 HE2 LYS B 63 19.450 -1.154 -15.959 1.00 0.00 H new ATOM 0 HE3 LYS B 63 18.100 -2.226 -15.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 17.930 0.221 -16.785 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 16.633 -0.622 -16.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 17.469 0.550 -15.185 1.00 0.00 H new ATOM 2166 N GLU B 64 13.904 0.419 -11.879 1.00 0.00 N ATOM 2167 CA GLU B 64 12.831 1.363 -12.171 1.00 0.00 C ATOM 2168 C GLU B 64 11.470 0.813 -11.752 1.00 0.00 C ATOM 2169 O GLU B 64 10.426 1.283 -12.207 1.00 0.00 O ATOM 2170 CB GLU B 64 12.860 1.728 -13.658 1.00 0.00 C ATOM 2171 CG GLU B 64 14.186 2.347 -14.078 1.00 0.00 C ATOM 2172 CD GLU B 64 14.341 2.460 -15.577 1.00 0.00 C ATOM 2173 OE1 GLU B 64 13.797 3.418 -16.167 1.00 0.00 O ATOM 2174 OE2 GLU B 64 15.019 1.597 -16.172 1.00 0.00 O ATOM 0 H GLU B 64 14.545 0.736 -11.152 1.00 0.00 H new ATOM 0 HA GLU B 64 12.992 2.269 -11.586 1.00 0.00 H new ATOM 0 HB2 GLU B 64 12.675 0.833 -14.253 1.00 0.00 H new ATOM 0 HB3 GLU B 64 12.052 2.427 -13.874 1.00 0.00 H new ATOM 0 HG2 GLU B 64 14.274 3.339 -13.634 1.00 0.00 H new ATOM 0 HG3 GLU B 64 15.003 1.746 -13.679 1.00 0.00 H new ATOM 2181 N SER B 65 11.491 -0.167 -10.857 1.00 0.00 N ATOM 2182 CA SER B 65 10.269 -0.701 -10.289 1.00 0.00 C ATOM 2183 C SER B 65 9.649 0.324 -9.348 1.00 0.00 C ATOM 2184 O SER B 65 10.343 0.927 -8.526 1.00 0.00 O ATOM 2185 CB SER B 65 10.560 -2.000 -9.535 1.00 0.00 C ATOM 2186 OG SER B 65 11.201 -2.943 -10.376 1.00 0.00 O ATOM 0 H SER B 65 12.344 -0.606 -10.511 1.00 0.00 H new ATOM 0 HA SER B 65 9.567 -0.916 -11.095 1.00 0.00 H new ATOM 0 HB2 SER B 65 11.191 -1.790 -8.671 1.00 0.00 H new ATOM 0 HB3 SER B 65 9.629 -2.420 -9.155 1.00 0.00 H new ATOM 0 HG SER B 65 12.112 -3.105 -10.052 1.00 0.00 H new ATOM 2192 N THR B 66 8.355 0.540 -9.485 1.00 0.00 N ATOM 2193 CA THR B 66 7.657 1.479 -8.634 1.00 0.00 C ATOM 2194 C THR B 66 7.152 0.786 -7.375 1.00 0.00 C ATOM 2195 O THR B 66 6.305 -0.105 -7.441 1.00 0.00 O ATOM 2196 CB THR B 66 6.477 2.122 -9.379 1.00 0.00 C ATOM 2197 OG1 THR B 66 6.927 2.637 -10.640 1.00 0.00 O ATOM 2198 CG2 THR B 66 5.864 3.246 -8.560 1.00 0.00 C ATOM 0 H THR B 66 7.767 0.077 -10.178 1.00 0.00 H new ATOM 0 HA THR B 66 8.361 2.262 -8.352 1.00 0.00 H new ATOM 0 HB THR B 66 5.716 1.359 -9.541 1.00 0.00 H new ATOM 0 HG1 THR B 66 6.173 3.045 -11.115 1.00 0.00 H new ATOM 0 HG21 THR B 66 5.031 3.684 -9.110 1.00 0.00 H new ATOM 0 HG22 THR B 66 5.504 2.850 -7.611 1.00 0.00 H new ATOM 0 HG23 THR B 66 6.617 4.011 -8.371 1.00 0.00 H new ATOM 2206 N LEU B 67 7.689 1.185 -6.238 1.00 0.00 N ATOM 2207 CA LEU B 67 7.286 0.618 -4.968 1.00 0.00 C ATOM 2208 C LEU B 67 6.258 1.520 -4.305 1.00 0.00 C ATOM 2209 O LEU B 67 6.465 2.729 -4.194 1.00 0.00 O ATOM 2210 CB LEU B 67 8.499 0.442 -4.050 1.00 0.00 C ATOM 2211 CG LEU B 67 9.630 -0.424 -4.614 1.00 0.00 C ATOM 2212 CD1 LEU B 67 10.778 -0.506 -3.622 1.00 0.00 C ATOM 2213 CD2 LEU B 67 9.125 -1.817 -4.947 1.00 0.00 C ATOM 0 H LEU B 67 8.409 1.904 -6.169 1.00 0.00 H new ATOM 0 HA LEU B 67 6.842 -0.362 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU B 67 8.901 1.427 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU B 67 8.162 0.003 -3.111 1.00 0.00 H new ATOM 0 HG LEU B 67 9.991 0.041 -5.532 1.00 0.00 H new ATOM 0 HD11 LEU B 67 11.574 -1.125 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU B 67 11.162 0.495 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU B 67 10.423 -0.948 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU B 67 9.944 -2.415 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU B 67 8.737 -2.289 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU B 67 8.331 -1.748 -5.690 1.00 0.00 H new ATOM 2225 N HIS B 68 5.146 0.942 -3.883 1.00 0.00 N ATOM 2226 CA HIS B 68 4.117 1.706 -3.196 1.00 0.00 C ATOM 2227 C HIS B 68 4.437 1.780 -1.716 1.00 0.00 C ATOM 2228 O HIS B 68 4.358 0.776 -1.008 1.00 0.00 O ATOM 2229 CB HIS B 68 2.728 1.090 -3.402 1.00 0.00 C ATOM 2230 CG HIS B 68 2.190 1.229 -4.793 1.00 0.00 C ATOM 2231 ND1 HIS B 68 1.721 2.420 -5.304 1.00 0.00 N ATOM 2232 CD2 HIS B 68 2.027 0.313 -5.776 1.00 0.00 C ATOM 2233 CE1 HIS B 68 1.295 2.230 -6.540 1.00 0.00 C ATOM 2234 NE2 HIS B 68 1.469 0.960 -6.850 1.00 0.00 N ATOM 0 H HIS B 68 4.933 -0.048 -4.003 1.00 0.00 H new ATOM 0 HA HIS B 68 4.102 2.711 -3.619 1.00 0.00 H new ATOM 0 HB2 HIS B 68 2.772 0.031 -3.146 1.00 0.00 H new ATOM 0 HB3 HIS B 68 2.030 1.557 -2.707 1.00 0.00 H new ATOM 0 HD1 HIS B 68 1.705 3.310 -4.805 1.00 0.00 H new ATOM 0 HD2 HIS B 68 2.288 -0.734 -5.725 1.00 0.00 H new ATOM 0 HE1 HIS B 68 0.875 2.986 -7.187 1.00 0.00 H new ATOM 2243 N LEU B 69 4.823 2.958 -1.253 1.00 0.00 N ATOM 2244 CA LEU B 69 5.166 3.141 0.145 1.00 0.00 C ATOM 2245 C LEU B 69 3.916 3.385 0.974 1.00 0.00 C ATOM 2246 O LEU B 69 3.328 4.467 0.933 1.00 0.00 O ATOM 2247 CB LEU B 69 6.159 4.296 0.324 1.00 0.00 C ATOM 2248 CG LEU B 69 6.592 4.562 1.774 1.00 0.00 C ATOM 2249 CD1 LEU B 69 7.172 3.304 2.400 1.00 0.00 C ATOM 2250 CD2 LEU B 69 7.605 5.694 1.831 1.00 0.00 C ATOM 0 H LEU B 69 4.906 3.799 -1.824 1.00 0.00 H new ATOM 0 HA LEU B 69 5.644 2.226 0.495 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.047 4.087 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU B 69 5.712 5.205 -0.078 1.00 0.00 H new ATOM 0 HG LEU B 69 5.710 4.857 2.343 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.472 3.514 3.427 1.00 0.00 H new ATOM 0 HD12 LEU B 69 6.420 2.515 2.396 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.041 2.980 1.827 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.899 5.867 2.866 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.483 5.426 1.244 1.00 0.00 H new ATOM 0 HD23 LEU B 69 7.160 6.602 1.424 1.00 0.00 H new ATOM 2262 N VAL B 70 3.505 2.362 1.700 1.00 0.00 N ATOM 2263 CA VAL B 70 2.391 2.477 2.616 1.00 0.00 C ATOM 2264 C VAL B 70 2.936 2.625 4.025 1.00 0.00 C ATOM 2265 O VAL B 70 3.844 1.893 4.434 1.00 0.00 O ATOM 2266 CB VAL B 70 1.449 1.259 2.528 1.00 0.00 C ATOM 2267 CG1 VAL B 70 0.238 1.443 3.430 1.00 0.00 C ATOM 2268 CG2 VAL B 70 1.011 1.035 1.089 1.00 0.00 C ATOM 0 H VAL B 70 3.931 1.436 1.671 1.00 0.00 H new ATOM 0 HA VAL B 70 1.802 3.354 2.346 1.00 0.00 H new ATOM 0 HB VAL B 70 1.994 0.379 2.869 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.411 0.571 3.350 1.00 0.00 H new ATOM 0 HG12 VAL B 70 0.567 1.557 4.463 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -0.311 2.333 3.124 1.00 0.00 H new ATOM 0 HG21 VAL B 70 0.347 0.172 1.041 1.00 0.00 H new ATOM 0 HG22 VAL B 70 0.485 1.919 0.727 1.00 0.00 H new ATOM 0 HG23 VAL B 70 1.887 0.853 0.466 1.00 0.00 H new ATOM 2278 N LEU B 71 2.410 3.586 4.754 1.00 0.00 N ATOM 2279 CA LEU B 71 2.952 3.914 6.053 1.00 0.00 C ATOM 2280 C LEU B 71 2.166 3.231 7.162 1.00 0.00 C ATOM 2281 O LEU B 71 0.936 3.223 7.161 1.00 0.00 O ATOM 2282 CB LEU B 71 2.970 5.435 6.277 1.00 0.00 C ATOM 2283 CG LEU B 71 3.902 6.248 5.359 1.00 0.00 C ATOM 2284 CD1 LEU B 71 5.279 5.608 5.269 1.00 0.00 C ATOM 2285 CD2 LEU B 71 3.303 6.421 3.971 1.00 0.00 C ATOM 0 H LEU B 71 1.610 4.152 4.470 1.00 0.00 H new ATOM 0 HA LEU B 71 3.979 3.548 6.081 1.00 0.00 H new ATOM 0 HB2 LEU B 71 1.954 5.811 6.154 1.00 0.00 H new ATOM 0 HB3 LEU B 71 3.257 5.625 7.311 1.00 0.00 H new ATOM 0 HG LEU B 71 4.013 7.237 5.804 1.00 0.00 H new ATOM 0 HD11 LEU B 71 5.915 6.204 4.614 1.00 0.00 H new ATOM 0 HD12 LEU B 71 5.724 5.561 6.263 1.00 0.00 H new ATOM 0 HD13 LEU B 71 5.186 4.600 4.865 1.00 0.00 H new ATOM 0 HD21 LEU B 71 3.987 6.999 3.349 1.00 0.00 H new ATOM 0 HD22 LEU B 71 3.142 5.442 3.520 1.00 0.00 H new ATOM 0 HD23 LEU B 71 2.351 6.946 4.048 1.00 0.00 H new ATOM 2297 N ARG B 72 2.897 2.620 8.076 1.00 0.00 N ATOM 2298 CA ARG B 72 2.324 2.089 9.298 1.00 0.00 C ATOM 2299 C ARG B 72 2.258 3.214 10.313 1.00 0.00 C ATOM 2300 O ARG B 72 3.243 3.923 10.506 1.00 0.00 O ATOM 2301 CB ARG B 72 3.184 0.940 9.842 1.00 0.00 C ATOM 2302 CG ARG B 72 3.198 -0.299 8.959 1.00 0.00 C ATOM 2303 CD ARG B 72 1.882 -1.060 9.027 1.00 0.00 C ATOM 2304 NE ARG B 72 1.901 -2.264 8.192 1.00 0.00 N ATOM 2305 CZ ARG B 72 1.235 -3.387 8.478 1.00 0.00 C ATOM 2306 NH1 ARG B 72 0.533 -3.483 9.599 1.00 0.00 N ATOM 2307 NH2 ARG B 72 1.276 -4.422 7.650 1.00 0.00 N ATOM 0 H ARG B 72 3.904 2.478 7.992 1.00 0.00 H new ATOM 0 HA ARG B 72 1.327 1.696 9.100 1.00 0.00 H new ATOM 0 HB2 ARG B 72 4.207 1.295 9.968 1.00 0.00 H new ATOM 0 HB3 ARG B 72 2.818 0.664 10.831 1.00 0.00 H new ATOM 0 HG2 ARG B 72 3.396 -0.007 7.928 1.00 0.00 H new ATOM 0 HG3 ARG B 72 4.013 -0.955 9.267 1.00 0.00 H new ATOM 0 HD2 ARG B 72 1.677 -1.339 10.061 1.00 0.00 H new ATOM 0 HD3 ARG B 72 1.069 -0.409 8.706 1.00 0.00 H new ATOM 0 HE ARG B 72 2.458 -2.244 7.338 1.00 0.00 H new ATOM 0 HH11 ARG B 72 0.499 -2.697 10.248 1.00 0.00 H new ATOM 0 HH12 ARG B 72 0.027 -4.343 9.812 1.00 0.00 H new ATOM 0 HH21 ARG B 72 1.818 -4.364 6.788 1.00 0.00 H new ATOM 0 HH22 ARG B 72 0.765 -5.276 7.875 1.00 0.00 H new ATOM 2321 N LEU B 73 1.107 3.392 10.942 1.00 0.00 N ATOM 2322 CA LEU B 73 0.927 4.487 11.886 1.00 0.00 C ATOM 2323 C LEU B 73 1.792 4.272 13.123 1.00 0.00 C ATOM 2324 O LEU B 73 1.379 3.614 14.081 1.00 0.00 O ATOM 2325 CB LEU B 73 -0.547 4.633 12.274 1.00 0.00 C ATOM 2326 CG LEU B 73 -1.497 4.947 11.114 1.00 0.00 C ATOM 2327 CD1 LEU B 73 -2.930 5.016 11.606 1.00 0.00 C ATOM 2328 CD2 LEU B 73 -1.110 6.255 10.440 1.00 0.00 C ATOM 0 H LEU B 73 0.288 2.797 10.818 1.00 0.00 H new ATOM 0 HA LEU B 73 1.242 5.412 11.403 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -0.874 3.709 12.751 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -0.634 5.424 13.019 1.00 0.00 H new ATOM 0 HG LEU B 73 -1.416 4.144 10.381 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -3.592 5.240 10.769 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.211 4.058 12.044 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -3.019 5.799 12.359 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -1.798 6.459 9.619 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.160 7.067 11.165 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -0.094 6.178 10.052 1.00 0.00 H new