USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 ASN : amide:sc= -0.0381 X(o=-1.9,f=-1.9) USER MOD Set 1.2: A 57 HIS : no HE2:sc= -1.87 K(o=-1.9,f=-4.1!) USER MOD Single : A 12 GLN : amide:sc= -0.0916 X(o=-0.092,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.588 X(o=-0.59,f=-0.78) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.619 X(o=-0.62,f=-0.25) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 178:sc= -0.723 (180deg=-0.739) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 14:sc= -0.545 USER MOD Single : A 59 GLN : amide:sc= -5.9! C(o=-5.9!,f=-4.3!) USER MOD Single : A 63 ASN : amide:sc= -1.28 K(o=-1.3,f=-5.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -4.25 K(o=-4.2,f=-8.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.403 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= -0.0655 (180deg=-0.329) USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= -0.248 (180deg=-0.362) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.682 USER MOD Single : A 82 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=-0.12) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.018 X(o=-0.018,f=-0.44) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -2.78! C(o=-2.8!,f=-0.66!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 72:sc= -0.297 USER MOD Single : A 98 SER OG : rot -30:sc= 0.696 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -2.54 K(o=-2.5,f=-6.7!) USER MOD Single : A 105 MET CE :methyl 161:sc= -2.13 (180deg=-2.84) USER MOD Single : A 107 CYS SG : rot 23:sc= 0.441 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 15.419 -5.004 1.355 1.00 73.23 N ATOM 148 CA GLN A 12 15.367 -3.998 2.408 1.00 2.34 C ATOM 149 C GLN A 12 13.995 -3.335 2.462 1.00 74.14 C ATOM 150 O GLN A 12 13.219 -3.379 1.506 1.00 25.20 O ATOM 151 CB GLN A 12 16.449 -2.940 2.186 1.00 41.35 C ATOM 152 CG GLN A 12 17.678 -3.132 3.060 1.00 72.44 C ATOM 153 CD GLN A 12 18.731 -2.066 2.830 1.00 73.23 C ATOM 154 OE1 GLN A 12 19.174 -1.402 3.767 1.00 35.24 O ATOM 155 NE2 GLN A 12 19.138 -1.896 1.577 1.00 20.43 N ATOM 0 HA GLN A 12 15.546 -4.497 3.360 1.00 2.34 H new ATOM 0 HB2 GLN A 12 16.752 -2.957 1.139 1.00 41.35 H new ATOM 0 HB3 GLN A 12 16.026 -1.954 2.380 1.00 41.35 H new ATOM 0 HG2 GLN A 12 17.379 -3.121 4.108 1.00 72.44 H new ATOM 0 HG3 GLN A 12 18.110 -4.113 2.862 1.00 72.44 H new ATOM 0 HE21 GLN A 12 18.744 -2.469 0.831 1.00 20.43 H new ATOM 0 HE22 GLN A 12 19.845 -1.193 1.361 1.00 20.43 H new ATOM 164 N PRO A 13 13.685 -2.706 3.605 1.00 54.21 N ATOM 165 CA PRO A 13 12.404 -2.022 3.810 1.00 5.30 C ATOM 166 C PRO A 13 12.281 -0.758 2.966 1.00 1.43 C ATOM 167 O PRO A 13 13.275 -0.085 2.688 1.00 74.30 O ATOM 168 CB PRO A 13 12.425 -1.670 5.300 1.00 72.52 C ATOM 169 CG PRO A 13 13.870 -1.596 5.652 1.00 64.51 C ATOM 170 CD PRO A 13 14.560 -2.613 4.785 1.00 23.32 C ATOM 0 HA PRO A 13 11.558 -2.643 3.516 1.00 5.30 H new ATOM 0 HB2 PRO A 13 11.922 -0.722 5.490 1.00 72.52 H new ATOM 0 HB3 PRO A 13 11.912 -2.427 5.893 1.00 72.52 H new ATOM 0 HG2 PRO A 13 14.265 -0.596 5.471 1.00 64.51 H new ATOM 0 HG3 PRO A 13 14.026 -1.814 6.709 1.00 64.51 H new ATOM 0 HD2 PRO A 13 15.566 -2.294 4.515 1.00 23.32 H new ATOM 0 HD3 PRO A 13 14.656 -3.574 5.291 1.00 23.32 H new ATOM 178 N HIS A 14 11.056 -0.439 2.562 1.00 54.31 N ATOM 179 CA HIS A 14 10.802 0.746 1.750 1.00 5.53 C ATOM 180 C HIS A 14 9.641 1.557 2.319 1.00 63.52 C ATOM 181 O HIS A 14 9.031 1.171 3.317 1.00 44.44 O ATOM 182 CB HIS A 14 10.501 0.346 0.306 1.00 43.34 C ATOM 183 CG HIS A 14 11.414 -0.716 -0.224 1.00 64.13 C ATOM 184 ND1 HIS A 14 10.974 -1.968 -0.600 1.00 44.43 N ATOM 185 CD2 HIS A 14 12.750 -0.707 -0.442 1.00 63.41 C ATOM 186 CE1 HIS A 14 12.000 -2.683 -1.025 1.00 23.53 C ATOM 187 NE2 HIS A 14 13.090 -1.942 -0.939 1.00 52.43 N ATOM 0 H HIS A 14 10.223 -0.985 2.784 1.00 54.31 H new ATOM 0 HA HIS A 14 11.698 1.367 1.768 1.00 5.53 H new ATOM 0 HB2 HIS A 14 9.472 -0.007 0.242 1.00 43.34 H new ATOM 0 HB3 HIS A 14 10.576 1.228 -0.330 1.00 43.34 H new ATOM 0 HD2 HIS A 14 13.423 0.117 -0.259 1.00 63.41 H new ATOM 0 HE1 HIS A 14 11.955 -3.701 -1.382 1.00 23.53 H new ATOM 0 HE2 HIS A 14 14.031 -2.238 -1.199 1.00 52.43 H new ATOM 195 N LYS A 15 9.341 2.681 1.678 1.00 50.10 N ATOM 196 CA LYS A 15 8.253 3.546 2.118 1.00 0.14 C ATOM 197 C LYS A 15 7.044 3.411 1.199 1.00 72.33 C ATOM 198 O LYS A 15 6.161 4.269 1.188 1.00 21.20 O ATOM 199 CB LYS A 15 8.717 5.004 2.157 1.00 31.02 C ATOM 200 CG LYS A 15 9.445 5.444 0.899 1.00 51.21 C ATOM 201 CD LYS A 15 10.916 5.709 1.170 1.00 44.12 C ATOM 202 CE LYS A 15 11.208 7.199 1.255 1.00 10.51 C ATOM 203 NZ LYS A 15 12.548 7.470 1.845 1.00 65.52 N ATOM 0 H LYS A 15 9.837 3.015 0.851 1.00 50.10 H new ATOM 0 HA LYS A 15 7.960 3.237 3.121 1.00 0.14 H new ATOM 0 HB2 LYS A 15 7.851 5.648 2.310 1.00 31.02 H new ATOM 0 HB3 LYS A 15 9.374 5.145 3.015 1.00 31.02 H new ATOM 0 HG2 LYS A 15 9.348 4.674 0.133 1.00 51.21 H new ATOM 0 HG3 LYS A 15 8.978 6.347 0.504 1.00 51.21 H new ATOM 0 HD2 LYS A 15 11.208 5.226 2.103 1.00 44.12 H new ATOM 0 HD3 LYS A 15 11.519 5.264 0.378 1.00 44.12 H new ATOM 0 HE2 LYS A 15 11.155 7.637 0.258 1.00 10.51 H new ATOM 0 HE3 LYS A 15 10.441 7.685 1.858 1.00 10.51 H new ATOM 0 HZ1 LYS A 15 12.708 8.497 1.885 1.00 65.52 H new ATOM 0 HZ2 LYS A 15 12.590 7.075 2.806 1.00 65.52 H new ATOM 0 HZ3 LYS A 15 13.282 7.028 1.256 1.00 65.52 H new ATOM 217 N ARG A 16 7.009 2.327 0.429 1.00 5.54 N ATOM 218 CA ARG A 16 5.908 2.080 -0.493 1.00 41.22 C ATOM 219 C ARG A 16 5.524 0.603 -0.498 1.00 0.40 C ATOM 220 O ARG A 16 6.360 -0.264 -0.750 1.00 32.50 O ATOM 221 CB ARG A 16 6.290 2.524 -1.907 1.00 35.52 C ATOM 222 CG ARG A 16 6.737 3.974 -1.990 1.00 75.24 C ATOM 223 CD ARG A 16 7.315 4.300 -3.358 1.00 40.43 C ATOM 224 NE ARG A 16 8.208 5.455 -3.313 1.00 53.45 N ATOM 225 CZ ARG A 16 9.433 5.418 -2.803 1.00 24.42 C ATOM 226 NH1 ARG A 16 9.910 4.289 -2.297 1.00 33.54 N ATOM 227 NH2 ARG A 16 10.186 6.511 -2.798 1.00 74.33 N ATOM 0 H ARG A 16 7.731 1.607 0.426 1.00 5.54 H new ATOM 0 HA ARG A 16 5.048 2.660 -0.157 1.00 41.22 H new ATOM 0 HB2 ARG A 16 7.092 1.884 -2.276 1.00 35.52 H new ATOM 0 HB3 ARG A 16 5.436 2.378 -2.568 1.00 35.52 H new ATOM 0 HG2 ARG A 16 5.890 4.629 -1.786 1.00 75.24 H new ATOM 0 HG3 ARG A 16 7.485 4.170 -1.221 1.00 75.24 H new ATOM 0 HD2 ARG A 16 7.860 3.435 -3.737 1.00 40.43 H new ATOM 0 HD3 ARG A 16 6.503 4.497 -4.057 1.00 40.43 H new ATOM 0 HE ARG A 16 7.872 6.339 -3.695 1.00 53.45 H new ATOM 0 HH11 ARG A 16 9.335 3.446 -2.299 1.00 33.54 H new ATOM 0 HH12 ARG A 16 10.852 4.263 -1.906 1.00 33.54 H new ATOM 0 HH21 ARG A 16 9.824 7.382 -3.187 1.00 74.33 H new ATOM 0 HH22 ARG A 16 11.127 6.480 -2.406 1.00 74.33 H new ATOM 241 N TRP A 17 4.256 0.327 -0.217 1.00 72.35 N ATOM 242 CA TRP A 17 3.761 -1.045 -0.189 1.00 23.21 C ATOM 243 C TRP A 17 2.313 -1.112 -0.662 1.00 4.12 C ATOM 244 O TRP A 17 1.483 -0.293 -0.267 1.00 71.13 O ATOM 245 CB TRP A 17 3.877 -1.621 1.223 1.00 33.33 C ATOM 246 CG TRP A 17 5.285 -1.951 1.617 1.00 13.02 C ATOM 247 CD1 TRP A 17 6.138 -1.168 2.341 1.00 41.23 C ATOM 248 CD2 TRP A 17 6.003 -3.150 1.307 1.00 32.21 C ATOM 249 NE1 TRP A 17 7.344 -1.808 2.499 1.00 34.01 N ATOM 250 CE2 TRP A 17 7.286 -3.026 1.875 1.00 31.01 C ATOM 251 CE3 TRP A 17 5.686 -4.317 0.607 1.00 64.40 C ATOM 252 CZ2 TRP A 17 8.249 -4.025 1.762 1.00 4.31 C ATOM 253 CZ3 TRP A 17 6.644 -5.307 0.495 1.00 31.54 C ATOM 254 CH2 TRP A 17 7.913 -5.157 1.071 1.00 55.30 C ATOM 0 H TRP A 17 3.552 1.034 -0.005 1.00 72.35 H new ATOM 0 HA TRP A 17 4.372 -1.640 -0.868 1.00 23.21 H new ATOM 0 HB2 TRP A 17 3.467 -0.904 1.935 1.00 33.33 H new ATOM 0 HB3 TRP A 17 3.268 -2.522 1.291 1.00 33.33 H new ATOM 0 HD1 TRP A 17 5.900 -0.190 2.732 1.00 41.23 H new ATOM 0 HE1 TRP A 17 8.151 -1.436 3.000 1.00 34.01 H new ATOM 0 HE3 TRP A 17 4.710 -4.443 0.162 1.00 64.40 H new ATOM 0 HZ2 TRP A 17 9.227 -3.910 2.205 1.00 4.31 H new ATOM 0 HZ3 TRP A 17 6.411 -6.212 -0.046 1.00 31.54 H new ATOM 0 HH2 TRP A 17 8.639 -5.950 0.967 1.00 55.30 H new ATOM 265 N VAL A 18 2.017 -2.092 -1.509 1.00 75.12 N ATOM 266 CA VAL A 18 0.668 -2.266 -2.035 1.00 13.03 C ATOM 267 C VAL A 18 -0.008 -3.487 -1.421 1.00 11.01 C ATOM 268 O VAL A 18 0.656 -4.370 -0.877 1.00 10.41 O ATOM 269 CB VAL A 18 0.677 -2.415 -3.568 1.00 4.23 C ATOM 270 CG1 VAL A 18 1.189 -1.142 -4.225 1.00 3.14 C ATOM 271 CG2 VAL A 18 1.518 -3.613 -3.981 1.00 24.11 C ATOM 0 H VAL A 18 2.693 -2.778 -1.846 1.00 75.12 H new ATOM 0 HA VAL A 18 0.107 -1.370 -1.768 1.00 13.03 H new ATOM 0 HB VAL A 18 -0.346 -2.584 -3.906 1.00 4.23 H new ATOM 0 HG11 VAL A 18 1.188 -1.266 -5.308 1.00 3.14 H new ATOM 0 HG12 VAL A 18 0.542 -0.307 -3.955 1.00 3.14 H new ATOM 0 HG13 VAL A 18 2.204 -0.939 -3.884 1.00 3.14 H new ATOM 0 HG21 VAL A 18 1.513 -3.704 -5.067 1.00 24.11 H new ATOM 0 HG22 VAL A 18 2.542 -3.476 -3.632 1.00 24.11 H new ATOM 0 HG23 VAL A 18 1.102 -4.519 -3.540 1.00 24.11 H new ATOM 281 N PHE A 19 -1.333 -3.531 -1.512 1.00 71.52 N ATOM 282 CA PHE A 19 -2.100 -4.645 -0.965 1.00 51.43 C ATOM 283 C PHE A 19 -3.179 -5.095 -1.945 1.00 73.04 C ATOM 284 O PHE A 19 -3.766 -4.281 -2.659 1.00 43.24 O ATOM 285 CB PHE A 19 -2.739 -4.246 0.367 1.00 52.35 C ATOM 286 CG PHE A 19 -3.522 -2.966 0.296 1.00 2.42 C ATOM 287 CD1 PHE A 19 -2.880 -1.740 0.373 1.00 24.43 C ATOM 288 CD2 PHE A 19 -4.900 -2.988 0.154 1.00 41.34 C ATOM 289 CE1 PHE A 19 -3.597 -0.560 0.309 1.00 62.54 C ATOM 290 CE2 PHE A 19 -5.622 -1.811 0.088 1.00 72.31 C ATOM 291 CZ PHE A 19 -4.970 -0.596 0.167 1.00 71.23 C ATOM 0 H PHE A 19 -1.898 -2.809 -1.959 1.00 71.52 H new ATOM 0 HA PHE A 19 -1.416 -5.477 -0.797 1.00 51.43 H new ATOM 0 HB2 PHE A 19 -3.398 -5.048 0.699 1.00 52.35 H new ATOM 0 HB3 PHE A 19 -1.957 -4.143 1.120 1.00 52.35 H new ATOM 0 HD1 PHE A 19 -1.806 -1.706 0.484 1.00 24.43 H new ATOM 0 HD2 PHE A 19 -5.416 -3.935 0.094 1.00 41.34 H new ATOM 0 HE1 PHE A 19 -3.084 0.389 0.370 1.00 62.54 H new ATOM 0 HE2 PHE A 19 -6.696 -1.842 -0.025 1.00 72.31 H new ATOM 0 HZ PHE A 19 -5.533 0.324 0.118 1.00 71.23 H new ATOM 301 N THR A 20 -3.437 -6.399 -1.975 1.00 64.10 N ATOM 302 CA THR A 20 -4.443 -6.959 -2.868 1.00 31.52 C ATOM 303 C THR A 20 -5.090 -8.198 -2.259 1.00 23.33 C ATOM 304 O THR A 20 -4.400 -9.122 -1.826 1.00 23.31 O ATOM 305 CB THR A 20 -3.838 -7.330 -4.235 1.00 3.21 C ATOM 306 OG1 THR A 20 -2.919 -8.418 -4.085 1.00 74.23 O ATOM 307 CG2 THR A 20 -3.122 -6.137 -4.851 1.00 13.01 C ATOM 0 H THR A 20 -2.962 -7.087 -1.390 1.00 64.10 H new ATOM 0 HA THR A 20 -5.201 -6.189 -3.012 1.00 31.52 H new ATOM 0 HB THR A 20 -4.650 -7.629 -4.898 1.00 3.21 H new ATOM 0 HG1 THR A 20 -2.540 -8.649 -4.959 1.00 74.23 H new ATOM 0 HG21 THR A 20 -2.703 -6.423 -5.816 1.00 13.01 H new ATOM 0 HG22 THR A 20 -3.830 -5.320 -4.991 1.00 13.01 H new ATOM 0 HG23 THR A 20 -2.320 -5.812 -4.189 1.00 13.01 H new ATOM 315 N LEU A 21 -6.418 -8.212 -2.228 1.00 63.34 N ATOM 316 CA LEU A 21 -7.158 -9.339 -1.673 1.00 35.55 C ATOM 317 C LEU A 21 -8.392 -9.649 -2.514 1.00 52.44 C ATOM 318 O LEU A 21 -9.111 -8.743 -2.936 1.00 65.43 O ATOM 319 CB LEU A 21 -7.573 -9.042 -0.230 1.00 44.44 C ATOM 320 CG LEU A 21 -8.255 -10.185 0.522 1.00 41.33 C ATOM 321 CD1 LEU A 21 -7.234 -10.988 1.312 1.00 62.53 C ATOM 322 CD2 LEU A 21 -9.339 -9.645 1.443 1.00 54.23 C ATOM 0 H LEU A 21 -7.004 -7.455 -2.581 1.00 63.34 H new ATOM 0 HA LEU A 21 -6.504 -10.211 -1.685 1.00 35.55 H new ATOM 0 HB2 LEU A 21 -6.685 -8.746 0.328 1.00 44.44 H new ATOM 0 HB3 LEU A 21 -8.247 -8.185 -0.236 1.00 44.44 H new ATOM 0 HG LEU A 21 -8.722 -10.847 -0.207 1.00 41.33 H new ATOM 0 HD11 LEU A 21 -7.738 -11.797 1.841 1.00 62.53 H new ATOM 0 HD12 LEU A 21 -6.493 -11.406 0.630 1.00 62.53 H new ATOM 0 HD13 LEU A 21 -6.738 -10.337 2.032 1.00 62.53 H new ATOM 0 HD21 LEU A 21 -9.814 -10.472 1.970 1.00 54.23 H new ATOM 0 HD22 LEU A 21 -8.895 -8.961 2.166 1.00 54.23 H new ATOM 0 HD23 LEU A 21 -10.086 -9.114 0.853 1.00 54.23 H new ATOM 334 N ASN A 22 -8.633 -10.934 -2.753 1.00 4.20 N ATOM 335 CA ASN A 22 -9.781 -11.363 -3.543 1.00 40.21 C ATOM 336 C ASN A 22 -11.022 -11.504 -2.667 1.00 21.41 C ATOM 337 O ASN A 22 -10.978 -12.130 -1.608 1.00 54.34 O ATOM 338 CB ASN A 22 -9.480 -12.692 -4.239 1.00 1.31 C ATOM 339 CG ASN A 22 -9.794 -12.652 -5.722 1.00 61.00 C ATOM 340 OD1 ASN A 22 -10.958 -12.651 -6.121 1.00 54.24 O ATOM 341 ND2 ASN A 22 -8.753 -12.620 -6.546 1.00 53.33 N ATOM 0 H ASN A 22 -8.048 -11.696 -2.411 1.00 4.20 H new ATOM 0 HA ASN A 22 -9.976 -10.601 -4.298 1.00 40.21 H new ATOM 0 HB2 ASN A 22 -8.428 -12.942 -4.100 1.00 1.31 H new ATOM 0 HB3 ASN A 22 -10.061 -13.485 -3.769 1.00 1.31 H new ATOM 0 HD21 ASN A 22 -8.902 -12.593 -7.555 1.00 53.33 H new ATOM 0 HD22 ASN A 22 -7.805 -12.622 -6.170 1.00 53.33 H new ATOM 348 N ASN A 23 -12.127 -10.919 -3.117 1.00 32.32 N ATOM 349 CA ASN A 23 -13.381 -10.980 -2.374 1.00 22.10 C ATOM 350 C ASN A 23 -13.175 -10.551 -0.924 1.00 74.33 C ATOM 351 O ASN A 23 -13.298 -11.347 0.008 1.00 42.53 O ATOM 352 CB ASN A 23 -13.958 -12.396 -2.422 1.00 22.32 C ATOM 353 CG ASN A 23 -15.261 -12.516 -1.656 1.00 53.30 C ATOM 354 OD1 ASN A 23 -15.464 -13.464 -0.897 1.00 42.32 O ATOM 355 ND2 ASN A 23 -16.153 -11.552 -1.853 1.00 11.45 N ATOM 0 H ASN A 23 -12.180 -10.397 -3.992 1.00 32.32 H new ATOM 0 HA ASN A 23 -14.086 -10.292 -2.841 1.00 22.10 H new ATOM 0 HB2 ASN A 23 -14.123 -12.683 -3.461 1.00 22.32 H new ATOM 0 HB3 ASN A 23 -13.231 -13.096 -2.009 1.00 22.32 H new ATOM 0 HD21 ASN A 23 -17.049 -11.579 -1.366 1.00 11.45 H new ATOM 0 HD22 ASN A 23 -15.942 -10.785 -2.491 1.00 11.45 H new ATOM 362 N PRO A 24 -12.856 -9.263 -0.728 1.00 31.52 N ATOM 363 CA PRO A 24 -12.628 -8.699 0.606 1.00 72.02 C ATOM 364 C PRO A 24 -13.912 -8.607 1.424 1.00 61.14 C ATOM 365 O PRO A 24 -14.990 -8.367 0.880 1.00 43.13 O ATOM 366 CB PRO A 24 -12.081 -7.300 0.310 1.00 32.31 C ATOM 367 CG PRO A 24 -12.618 -6.961 -1.037 1.00 42.35 C ATOM 368 CD PRO A 24 -12.694 -8.259 -1.792 1.00 65.12 C ATOM 0 HA PRO A 24 -11.956 -9.318 1.201 1.00 72.02 H new ATOM 0 HB2 PRO A 24 -12.409 -6.580 1.060 1.00 32.31 H new ATOM 0 HB3 PRO A 24 -10.991 -7.292 0.315 1.00 32.31 H new ATOM 0 HG2 PRO A 24 -13.601 -6.497 -0.959 1.00 42.35 H new ATOM 0 HG3 PRO A 24 -11.969 -6.250 -1.548 1.00 42.35 H new ATOM 0 HD2 PRO A 24 -13.534 -8.271 -2.487 1.00 65.12 H new ATOM 0 HD3 PRO A 24 -11.792 -8.436 -2.378 1.00 65.12 H new ATOM 376 N SER A 25 -13.789 -8.799 2.733 1.00 30.40 N ATOM 377 CA SER A 25 -14.941 -8.741 3.626 1.00 62.45 C ATOM 378 C SER A 25 -15.180 -7.315 4.112 1.00 23.30 C ATOM 379 O SER A 25 -14.281 -6.476 4.071 1.00 51.24 O ATOM 380 CB SER A 25 -14.733 -9.672 4.822 1.00 71.33 C ATOM 381 OG SER A 25 -15.326 -10.939 4.591 1.00 2.33 O ATOM 0 H SER A 25 -12.903 -8.996 3.199 1.00 30.40 H new ATOM 0 HA SER A 25 -15.819 -9.068 3.069 1.00 62.45 H new ATOM 0 HB2 SER A 25 -13.666 -9.795 5.010 1.00 71.33 H new ATOM 0 HB3 SER A 25 -15.165 -9.222 5.716 1.00 71.33 H new ATOM 0 HG SER A 25 -15.178 -11.516 5.369 1.00 2.33 H new ATOM 387 N GLU A 26 -16.398 -7.050 4.573 1.00 73.24 N ATOM 388 CA GLU A 26 -16.756 -5.726 5.066 1.00 11.43 C ATOM 389 C GLU A 26 -15.910 -5.350 6.279 1.00 4.01 C ATOM 390 O GLU A 26 -15.636 -4.174 6.518 1.00 12.44 O ATOM 391 CB GLU A 26 -18.241 -5.677 5.432 1.00 30.44 C ATOM 392 CG GLU A 26 -19.059 -4.761 4.538 1.00 71.54 C ATOM 393 CD GLU A 26 -20.177 -4.062 5.286 1.00 54.25 C ATOM 394 OE1 GLU A 26 -19.875 -3.186 6.122 1.00 0.14 O ATOM 395 OE2 GLU A 26 -21.356 -4.391 5.033 1.00 5.30 O ATOM 0 H GLU A 26 -17.153 -7.734 4.615 1.00 73.24 H new ATOM 0 HA GLU A 26 -16.561 -5.006 4.271 1.00 11.43 H new ATOM 0 HB2 GLU A 26 -18.653 -6.685 5.379 1.00 30.44 H new ATOM 0 HB3 GLU A 26 -18.341 -5.346 6.466 1.00 30.44 H new ATOM 0 HG2 GLU A 26 -18.403 -4.014 4.092 1.00 71.54 H new ATOM 0 HG3 GLU A 26 -19.483 -5.342 3.719 1.00 71.54 H new ATOM 402 N ASP A 27 -15.499 -6.358 7.041 1.00 4.51 N ATOM 403 CA ASP A 27 -14.683 -6.134 8.229 1.00 21.41 C ATOM 404 C ASP A 27 -13.239 -5.823 7.847 1.00 73.35 C ATOM 405 O ASP A 27 -12.627 -4.906 8.392 1.00 52.42 O ATOM 406 CB ASP A 27 -14.729 -7.360 9.143 1.00 65.22 C ATOM 407 CG ASP A 27 -15.248 -7.030 10.528 1.00 24.45 C ATOM 408 OD1 ASP A 27 -14.905 -5.948 11.048 1.00 50.33 O ATOM 409 OD2 ASP A 27 -15.996 -7.855 11.094 1.00 23.32 O ATOM 0 H ASP A 27 -15.717 -7.337 6.857 1.00 4.51 H new ATOM 0 HA ASP A 27 -15.091 -5.276 8.763 1.00 21.41 H new ATOM 0 HB2 ASP A 27 -15.365 -8.122 8.692 1.00 65.22 H new ATOM 0 HB3 ASP A 27 -13.729 -7.786 9.225 1.00 65.22 H new ATOM 414 N GLU A 28 -12.702 -6.595 6.907 1.00 40.23 N ATOM 415 CA GLU A 28 -11.330 -6.402 6.453 1.00 5.13 C ATOM 416 C GLU A 28 -11.198 -5.110 5.652 1.00 2.33 C ATOM 417 O GLU A 28 -10.302 -4.302 5.900 1.00 71.23 O ATOM 418 CB GLU A 28 -10.878 -7.591 5.602 1.00 11.34 C ATOM 419 CG GLU A 28 -9.565 -8.203 6.060 1.00 32.43 C ATOM 420 CD GLU A 28 -9.752 -9.220 7.170 1.00 64.12 C ATOM 421 OE1 GLU A 28 -10.872 -9.304 7.715 1.00 52.31 O ATOM 422 OE2 GLU A 28 -8.778 -9.932 7.493 1.00 3.51 O ATOM 0 H GLU A 28 -13.196 -7.359 6.446 1.00 40.23 H new ATOM 0 HA GLU A 28 -10.691 -6.330 7.333 1.00 5.13 H new ATOM 0 HB2 GLU A 28 -11.653 -8.357 5.623 1.00 11.34 H new ATOM 0 HB3 GLU A 28 -10.777 -7.268 4.566 1.00 11.34 H new ATOM 0 HG2 GLU A 28 -9.076 -8.682 5.212 1.00 32.43 H new ATOM 0 HG3 GLU A 28 -8.900 -7.411 6.406 1.00 32.43 H new ATOM 429 N ARG A 29 -12.096 -4.922 4.691 1.00 31.20 N ATOM 430 CA ARG A 29 -12.080 -3.730 3.852 1.00 2.01 C ATOM 431 C ARG A 29 -12.246 -2.469 4.696 1.00 73.45 C ATOM 432 O ARG A 29 -11.655 -1.430 4.402 1.00 71.00 O ATOM 433 CB ARG A 29 -13.190 -3.804 2.802 1.00 62.20 C ATOM 434 CG ARG A 29 -13.269 -2.575 1.912 1.00 53.31 C ATOM 435 CD ARG A 29 -14.694 -2.055 1.806 1.00 14.42 C ATOM 436 NE ARG A 29 -15.366 -2.538 0.603 1.00 63.52 N ATOM 437 CZ ARG A 29 -16.437 -1.957 0.074 1.00 4.44 C ATOM 438 NH1 ARG A 29 -16.955 -0.875 0.640 1.00 25.11 N ATOM 439 NH2 ARG A 29 -16.991 -2.456 -1.023 1.00 33.34 N ATOM 0 H ARG A 29 -12.844 -5.580 4.474 1.00 31.20 H new ATOM 0 HA ARG A 29 -11.115 -3.684 3.347 1.00 2.01 H new ATOM 0 HB2 ARG A 29 -13.031 -4.684 2.179 1.00 62.20 H new ATOM 0 HB3 ARG A 29 -14.147 -3.939 3.306 1.00 62.20 H new ATOM 0 HG2 ARG A 29 -12.624 -1.793 2.312 1.00 53.31 H new ATOM 0 HG3 ARG A 29 -12.895 -2.820 0.918 1.00 53.31 H new ATOM 0 HD2 ARG A 29 -15.259 -2.364 2.685 1.00 14.42 H new ATOM 0 HD3 ARG A 29 -14.683 -0.965 1.802 1.00 14.42 H new ATOM 0 HE ARG A 29 -14.992 -3.368 0.143 1.00 63.52 H new ATOM 0 HH11 ARG A 29 -16.531 -0.488 1.483 1.00 25.11 H new ATOM 0 HH12 ARG A 29 -17.777 -0.430 0.232 1.00 25.11 H new ATOM 0 HH21 ARG A 29 -16.595 -3.287 -1.462 1.00 33.34 H new ATOM 0 HH22 ARG A 29 -17.813 -2.009 -1.428 1.00 33.34 H new ATOM 453 N LYS A 30 -13.056 -2.568 5.745 1.00 64.34 N ATOM 454 CA LYS A 30 -13.300 -1.438 6.632 1.00 14.41 C ATOM 455 C LYS A 30 -12.060 -1.117 7.460 1.00 41.24 C ATOM 456 O LYS A 30 -11.776 0.046 7.746 1.00 4.31 O ATOM 457 CB LYS A 30 -14.481 -1.736 7.559 1.00 73.44 C ATOM 458 CG LYS A 30 -14.678 -0.697 8.648 1.00 4.42 C ATOM 459 CD LYS A 30 -16.091 -0.139 8.639 1.00 71.21 C ATOM 460 CE LYS A 30 -17.072 -1.097 9.298 1.00 52.40 C ATOM 461 NZ LYS A 30 -17.256 -0.794 10.744 1.00 12.43 N ATOM 0 H LYS A 30 -13.555 -3.420 6.001 1.00 64.34 H new ATOM 0 HA LYS A 30 -13.538 -0.571 6.016 1.00 14.41 H new ATOM 0 HB2 LYS A 30 -15.391 -1.803 6.963 1.00 73.44 H new ATOM 0 HB3 LYS A 30 -14.331 -2.711 8.022 1.00 73.44 H new ATOM 0 HG2 LYS A 30 -14.469 -1.144 9.620 1.00 4.42 H new ATOM 0 HG3 LYS A 30 -13.964 0.115 8.510 1.00 4.42 H new ATOM 0 HD2 LYS A 30 -16.109 0.818 9.161 1.00 71.21 H new ATOM 0 HD3 LYS A 30 -16.402 0.052 7.612 1.00 71.21 H new ATOM 0 HE2 LYS A 30 -18.034 -1.038 8.789 1.00 52.40 H new ATOM 0 HE3 LYS A 30 -16.713 -2.120 9.184 1.00 52.40 H new ATOM 0 HZ1 LYS A 30 -17.931 -1.469 11.157 1.00 12.43 H new ATOM 0 HZ2 LYS A 30 -16.343 -0.875 11.235 1.00 12.43 H new ATOM 0 HZ3 LYS A 30 -17.623 0.173 10.852 1.00 12.43 H new ATOM 475 N LYS A 31 -11.323 -2.155 7.840 1.00 73.21 N ATOM 476 CA LYS A 31 -10.111 -1.985 8.632 1.00 11.32 C ATOM 477 C LYS A 31 -9.076 -1.162 7.872 1.00 24.11 C ATOM 478 O LYS A 31 -8.552 -0.175 8.390 1.00 71.12 O ATOM 479 CB LYS A 31 -9.523 -3.348 9.002 1.00 31.32 C ATOM 480 CG LYS A 31 -8.134 -3.267 9.611 1.00 12.45 C ATOM 481 CD LYS A 31 -7.593 -4.645 9.954 1.00 54.24 C ATOM 482 CE LYS A 31 -6.567 -5.110 8.932 1.00 72.21 C ATOM 483 NZ LYS A 31 -7.082 -5.000 7.539 1.00 42.41 N ATOM 0 H LYS A 31 -11.544 -3.124 7.612 1.00 73.21 H new ATOM 0 HA LYS A 31 -10.375 -1.451 9.545 1.00 11.32 H new ATOM 0 HB2 LYS A 31 -10.191 -3.843 9.707 1.00 31.32 H new ATOM 0 HB3 LYS A 31 -9.483 -3.971 8.109 1.00 31.32 H new ATOM 0 HG2 LYS A 31 -7.458 -2.773 8.913 1.00 12.45 H new ATOM 0 HG3 LYS A 31 -8.166 -2.653 10.511 1.00 12.45 H new ATOM 0 HD2 LYS A 31 -7.138 -4.622 10.944 1.00 54.24 H new ATOM 0 HD3 LYS A 31 -8.415 -5.360 9.997 1.00 54.24 H new ATOM 0 HE2 LYS A 31 -5.660 -4.514 9.032 1.00 72.21 H new ATOM 0 HE3 LYS A 31 -6.293 -6.145 9.137 1.00 72.21 H new ATOM 0 HZ1 LYS A 31 -6.341 -5.294 6.871 1.00 42.41 H new ATOM 0 HZ2 LYS A 31 -7.914 -5.614 7.427 1.00 42.41 H new ATOM 0 HZ3 LYS A 31 -7.351 -4.014 7.345 1.00 42.41 H new ATOM 497 N ILE A 32 -8.786 -1.574 6.642 1.00 12.15 N ATOM 498 CA ILE A 32 -7.815 -0.873 5.811 1.00 14.13 C ATOM 499 C ILE A 32 -8.269 0.554 5.521 1.00 62.20 C ATOM 500 O ILE A 32 -7.470 1.490 5.559 1.00 21.32 O ATOM 501 CB ILE A 32 -7.582 -1.607 4.478 1.00 50.14 C ATOM 502 CG1 ILE A 32 -6.659 -2.809 4.687 1.00 72.22 C ATOM 503 CG2 ILE A 32 -6.996 -0.656 3.445 1.00 2.41 C ATOM 504 CD1 ILE A 32 -6.489 -3.663 3.449 1.00 3.55 C ATOM 0 H ILE A 32 -9.210 -2.389 6.199 1.00 12.15 H new ATOM 0 HA ILE A 32 -6.880 -0.848 6.370 1.00 14.13 H new ATOM 0 HB ILE A 32 -8.541 -1.969 4.107 1.00 50.14 H new ATOM 0 HG12 ILE A 32 -5.681 -2.454 5.011 1.00 72.22 H new ATOM 0 HG13 ILE A 32 -7.056 -3.426 5.493 1.00 72.22 H new ATOM 0 HG21 ILE A 32 -6.837 -1.190 2.508 1.00 2.41 H new ATOM 0 HG22 ILE A 32 -7.686 0.171 3.279 1.00 2.41 H new ATOM 0 HG23 ILE A 32 -6.044 -0.267 3.807 1.00 2.41 H new ATOM 0 HD11 ILE A 32 -5.822 -4.496 3.671 1.00 3.55 H new ATOM 0 HD12 ILE A 32 -7.460 -4.048 3.137 1.00 3.55 H new ATOM 0 HD13 ILE A 32 -6.063 -3.060 2.647 1.00 3.55 H new ATOM 516 N ARG A 33 -9.556 0.713 5.232 1.00 34.54 N ATOM 517 CA ARG A 33 -10.117 2.025 4.936 1.00 3.53 C ATOM 518 C ARG A 33 -10.196 2.880 6.198 1.00 44.11 C ATOM 519 O ARG A 33 -10.264 4.107 6.125 1.00 3.22 O ATOM 520 CB ARG A 33 -11.508 1.882 4.317 1.00 72.20 C ATOM 521 CG ARG A 33 -12.181 3.211 4.016 1.00 31.00 C ATOM 522 CD ARG A 33 -13.520 3.013 3.322 1.00 2.22 C ATOM 523 NE ARG A 33 -14.571 2.627 4.260 1.00 5.01 N ATOM 524 CZ ARG A 33 -15.851 2.520 3.925 1.00 35.42 C ATOM 525 NH1 ARG A 33 -16.238 2.768 2.681 1.00 21.44 N ATOM 526 NH2 ARG A 33 -16.749 2.163 4.835 1.00 22.02 N ATOM 0 H ARG A 33 -10.230 -0.051 5.197 1.00 34.54 H new ATOM 0 HA ARG A 33 -9.459 2.520 4.222 1.00 3.53 H new ATOM 0 HB2 ARG A 33 -11.428 1.308 3.394 1.00 72.20 H new ATOM 0 HB3 ARG A 33 -12.141 1.309 4.995 1.00 72.20 H new ATOM 0 HG2 ARG A 33 -12.329 3.763 4.944 1.00 31.00 H new ATOM 0 HG3 ARG A 33 -11.529 3.816 3.386 1.00 31.00 H new ATOM 0 HD2 ARG A 33 -13.806 3.935 2.817 1.00 2.22 H new ATOM 0 HD3 ARG A 33 -13.420 2.246 2.554 1.00 2.22 H new ATOM 0 HE ARG A 33 -14.307 2.429 5.225 1.00 5.01 H new ATOM 0 HH11 ARG A 33 -15.551 3.042 1.978 1.00 21.44 H new ATOM 0 HH12 ARG A 33 -17.222 2.685 2.427 1.00 21.44 H new ATOM 0 HH21 ARG A 33 -16.456 1.971 5.793 1.00 22.02 H new ATOM 0 HH22 ARG A 33 -17.732 2.081 4.576 1.00 22.02 H new ATOM 540 N ASP A 34 -10.186 2.223 7.353 1.00 54.35 N ATOM 541 CA ASP A 34 -10.256 2.922 8.630 1.00 13.35 C ATOM 542 C ASP A 34 -8.865 3.093 9.233 1.00 14.32 C ATOM 543 O ASP A 34 -8.722 3.509 10.384 1.00 55.22 O ATOM 544 CB ASP A 34 -11.157 2.161 9.604 1.00 75.01 C ATOM 545 CG ASP A 34 -11.438 2.948 10.869 1.00 32.21 C ATOM 546 OD1 ASP A 34 -11.301 4.189 10.839 1.00 21.11 O ATOM 547 OD2 ASP A 34 -11.796 2.323 11.889 1.00 70.51 O ATOM 0 H ASP A 34 -10.130 1.207 7.431 1.00 54.35 H new ATOM 0 HA ASP A 34 -10.680 3.910 8.452 1.00 13.35 H new ATOM 0 HB2 ASP A 34 -12.100 1.922 9.111 1.00 75.01 H new ATOM 0 HB3 ASP A 34 -10.685 1.214 9.866 1.00 75.01 H new ATOM 552 N LEU A 35 -7.843 2.769 8.450 1.00 61.14 N ATOM 553 CA LEU A 35 -6.462 2.885 8.906 1.00 52.40 C ATOM 554 C LEU A 35 -6.080 4.347 9.116 1.00 64.02 C ATOM 555 O LEU A 35 -6.714 5.262 8.591 1.00 74.02 O ATOM 556 CB LEU A 35 -5.514 2.238 7.895 1.00 1.22 C ATOM 557 CG LEU A 35 -5.333 0.725 8.018 1.00 23.14 C ATOM 558 CD1 LEU A 35 -4.521 0.188 6.850 1.00 24.43 C ATOM 559 CD2 LEU A 35 -4.666 0.373 9.340 1.00 0.54 C ATOM 0 H LEU A 35 -7.944 2.424 7.496 1.00 61.14 H new ATOM 0 HA LEU A 35 -6.375 2.365 9.860 1.00 52.40 H new ATOM 0 HB2 LEU A 35 -5.878 2.460 6.892 1.00 1.22 H new ATOM 0 HB3 LEU A 35 -4.536 2.710 7.991 1.00 1.22 H new ATOM 0 HG LEU A 35 -6.318 0.258 7.995 1.00 23.14 H new ATOM 0 HD11 LEU A 35 -4.402 -0.890 6.955 1.00 24.43 H new ATOM 0 HD12 LEU A 35 -5.038 0.407 5.916 1.00 24.43 H new ATOM 0 HD13 LEU A 35 -3.539 0.662 6.841 1.00 24.43 H new ATOM 0 HD21 LEU A 35 -4.545 -0.708 9.410 1.00 0.54 H new ATOM 0 HD22 LEU A 35 -3.688 0.852 9.393 1.00 0.54 H new ATOM 0 HD23 LEU A 35 -5.286 0.723 10.165 1.00 0.54 H new ATOM 571 N PRO A 36 -5.015 4.574 9.900 1.00 34.42 N ATOM 572 CA PRO A 36 -4.522 5.922 10.195 1.00 12.21 C ATOM 573 C PRO A 36 -3.889 6.587 8.978 1.00 55.25 C ATOM 574 O PRO A 36 -2.903 6.093 8.432 1.00 65.03 O ATOM 575 CB PRO A 36 -3.471 5.686 11.282 1.00 23.50 C ATOM 576 CG PRO A 36 -3.013 4.284 11.068 1.00 74.12 C ATOM 577 CD PRO A 36 -4.211 3.531 10.559 1.00 32.30 C ATOM 0 HA PRO A 36 -5.326 6.592 10.499 1.00 12.21 H new ATOM 0 HB2 PRO A 36 -2.644 6.391 11.193 1.00 23.50 H new ATOM 0 HB3 PRO A 36 -3.895 5.816 12.278 1.00 23.50 H new ATOM 0 HG2 PRO A 36 -2.194 4.246 10.350 1.00 74.12 H new ATOM 0 HG3 PRO A 36 -2.643 3.848 11.996 1.00 74.12 H new ATOM 0 HD2 PRO A 36 -3.924 2.744 9.861 1.00 32.30 H new ATOM 0 HD3 PRO A 36 -4.760 3.053 11.371 1.00 32.30 H new ATOM 585 N ILE A 37 -4.463 7.710 8.557 1.00 30.34 N ATOM 586 CA ILE A 37 -3.953 8.443 7.405 1.00 33.42 C ATOM 587 C ILE A 37 -2.597 9.070 7.709 1.00 62.44 C ATOM 588 O ILE A 37 -1.730 9.151 6.838 1.00 14.20 O ATOM 589 CB ILE A 37 -4.930 9.548 6.964 1.00 12.52 C ATOM 590 CG1 ILE A 37 -5.279 10.453 8.148 1.00 71.20 C ATOM 591 CG2 ILE A 37 -6.190 8.936 6.369 1.00 5.31 C ATOM 592 CD1 ILE A 37 -6.216 11.584 7.788 1.00 15.34 C ATOM 0 H ILE A 37 -5.281 8.131 8.997 1.00 30.34 H new ATOM 0 HA ILE A 37 -3.843 7.722 6.595 1.00 33.42 H new ATOM 0 HB ILE A 37 -4.447 10.154 6.197 1.00 12.52 H new ATOM 0 HG12 ILE A 37 -5.735 9.850 8.934 1.00 71.20 H new ATOM 0 HG13 ILE A 37 -4.360 10.870 8.559 1.00 71.20 H new ATOM 0 HG21 ILE A 37 -6.870 9.730 6.062 1.00 5.31 H new ATOM 0 HG22 ILE A 37 -5.926 8.330 5.503 1.00 5.31 H new ATOM 0 HG23 ILE A 37 -6.677 8.309 7.116 1.00 5.31 H new ATOM 0 HD11 ILE A 37 -6.420 12.184 8.675 1.00 15.34 H new ATOM 0 HD12 ILE A 37 -5.754 12.210 7.025 1.00 15.34 H new ATOM 0 HD13 ILE A 37 -7.151 11.174 7.405 1.00 15.34 H new ATOM 604 N SER A 38 -2.419 9.510 8.950 1.00 21.22 N ATOM 605 CA SER A 38 -1.168 10.131 9.369 1.00 51.41 C ATOM 606 C SER A 38 -0.017 9.133 9.304 1.00 24.42 C ATOM 607 O SER A 38 1.151 9.517 9.220 1.00 14.23 O ATOM 608 CB SER A 38 -1.299 10.684 10.789 1.00 13.43 C ATOM 609 OG SER A 38 -0.210 11.533 11.109 1.00 30.40 O ATOM 0 H SER A 38 -3.125 9.448 9.683 1.00 21.22 H new ATOM 0 HA SER A 38 -0.952 10.952 8.685 1.00 51.41 H new ATOM 0 HB2 SER A 38 -2.234 11.236 10.883 1.00 13.43 H new ATOM 0 HB3 SER A 38 -1.343 9.860 11.501 1.00 13.43 H new ATOM 0 HG SER A 38 -0.318 11.874 12.021 1.00 30.40 H new ATOM 615 N LEU A 39 -0.353 7.848 9.344 1.00 53.21 N ATOM 616 CA LEU A 39 0.651 6.792 9.290 1.00 64.21 C ATOM 617 C LEU A 39 1.223 6.656 7.882 1.00 20.53 C ATOM 618 O LEU A 39 2.372 6.252 7.704 1.00 5.02 O ATOM 619 CB LEU A 39 0.045 5.461 9.737 1.00 31.35 C ATOM 620 CG LEU A 39 0.930 4.585 10.625 1.00 33.23 C ATOM 621 CD1 LEU A 39 0.095 3.889 11.689 1.00 24.14 C ATOM 622 CD2 LEU A 39 1.685 3.565 9.785 1.00 34.03 C ATOM 0 H LEU A 39 -1.314 7.513 9.414 1.00 53.21 H new ATOM 0 HA LEU A 39 1.462 7.061 9.968 1.00 64.21 H new ATOM 0 HB2 LEU A 39 -0.881 5.668 10.273 1.00 31.35 H new ATOM 0 HB3 LEU A 39 -0.222 4.890 8.848 1.00 31.35 H new ATOM 0 HG LEU A 39 1.658 5.225 11.124 1.00 33.23 H new ATOM 0 HD11 LEU A 39 0.741 3.270 12.311 1.00 24.14 H new ATOM 0 HD12 LEU A 39 -0.400 4.636 12.310 1.00 24.14 H new ATOM 0 HD13 LEU A 39 -0.656 3.261 11.209 1.00 24.14 H new ATOM 0 HD21 LEU A 39 2.310 2.951 10.433 1.00 34.03 H new ATOM 0 HD22 LEU A 39 0.973 2.929 9.258 1.00 34.03 H new ATOM 0 HD23 LEU A 39 2.314 4.084 9.061 1.00 34.03 H new ATOM 634 N PHE A 40 0.414 6.997 6.885 1.00 33.30 N ATOM 635 CA PHE A 40 0.839 6.914 5.493 1.00 62.33 C ATOM 636 C PHE A 40 0.659 8.255 4.788 1.00 72.00 C ATOM 637 O PHE A 40 -0.463 8.730 4.613 1.00 53.51 O ATOM 638 CB PHE A 40 0.048 5.829 4.759 1.00 33.12 C ATOM 639 CG PHE A 40 -0.189 4.597 5.586 1.00 41.24 C ATOM 640 CD1 PHE A 40 -1.286 4.512 6.428 1.00 5.53 C ATOM 641 CD2 PHE A 40 0.685 3.524 5.519 1.00 32.03 C ATOM 642 CE1 PHE A 40 -1.505 3.381 7.190 1.00 20.44 C ATOM 643 CE2 PHE A 40 0.470 2.389 6.279 1.00 43.22 C ATOM 644 CZ PHE A 40 -0.627 2.317 7.115 1.00 42.14 C ATOM 0 H PHE A 40 -0.540 7.334 7.015 1.00 33.30 H new ATOM 0 HA PHE A 40 1.898 6.655 5.478 1.00 62.33 H new ATOM 0 HB2 PHE A 40 -0.913 6.239 4.448 1.00 33.12 H new ATOM 0 HB3 PHE A 40 0.584 5.550 3.852 1.00 33.12 H new ATOM 0 HD1 PHE A 40 -1.978 5.339 6.489 1.00 5.53 H new ATOM 0 HD2 PHE A 40 1.544 3.575 4.866 1.00 32.03 H new ATOM 0 HE1 PHE A 40 -2.363 3.328 7.844 1.00 20.44 H new ATOM 0 HE2 PHE A 40 1.159 1.560 6.219 1.00 43.22 H new ATOM 0 HZ PHE A 40 -0.798 1.431 7.709 1.00 42.14 H new ATOM 654 N ASP A 41 1.771 8.860 4.387 1.00 64.24 N ATOM 655 CA ASP A 41 1.738 10.146 3.700 1.00 15.15 C ATOM 656 C ASP A 41 0.789 10.100 2.507 1.00 41.44 C ATOM 657 O ASP A 41 0.216 11.118 2.117 1.00 41.13 O ATOM 658 CB ASP A 41 3.142 10.538 3.238 1.00 55.44 C ATOM 659 CG ASP A 41 3.933 11.243 4.322 1.00 71.11 C ATOM 660 OD1 ASP A 41 3.445 12.268 4.841 1.00 53.21 O ATOM 661 OD2 ASP A 41 5.041 10.769 4.651 1.00 50.51 O ATOM 0 H ASP A 41 2.708 8.480 4.526 1.00 64.24 H new ATOM 0 HA ASP A 41 1.374 10.896 4.402 1.00 15.15 H new ATOM 0 HB2 ASP A 41 3.680 9.644 2.923 1.00 55.44 H new ATOM 0 HB3 ASP A 41 3.066 11.188 2.367 1.00 55.44 H new ATOM 666 N TYR A 42 0.629 8.915 1.930 1.00 70.50 N ATOM 667 CA TYR A 42 -0.247 8.737 0.778 1.00 31.21 C ATOM 668 C TYR A 42 -1.050 7.445 0.898 1.00 25.32 C ATOM 669 O TYR A 42 -0.485 6.363 1.062 1.00 34.24 O ATOM 670 CB TYR A 42 0.571 8.724 -0.514 1.00 60.12 C ATOM 671 CG TYR A 42 -0.265 8.528 -1.758 1.00 74.15 C ATOM 672 CD1 TYR A 42 -1.563 9.021 -1.832 1.00 24.21 C ATOM 673 CD2 TYR A 42 0.241 7.849 -2.860 1.00 53.41 C ATOM 674 CE1 TYR A 42 -2.331 8.844 -2.966 1.00 61.33 C ATOM 675 CE2 TYR A 42 -0.520 7.669 -3.999 1.00 62.11 C ATOM 676 CZ TYR A 42 -1.805 8.168 -4.047 1.00 61.43 C ATOM 677 OH TYR A 42 -2.566 7.989 -5.180 1.00 32.44 O ATOM 0 H TYR A 42 1.095 8.062 2.241 1.00 70.50 H new ATOM 0 HA TYR A 42 -0.944 9.575 0.751 1.00 31.21 H new ATOM 0 HB2 TYR A 42 1.117 9.664 -0.598 1.00 60.12 H new ATOM 0 HB3 TYR A 42 1.313 7.928 -0.456 1.00 60.12 H new ATOM 0 HD1 TYR A 42 -1.978 9.552 -0.988 1.00 24.21 H new ATOM 0 HD2 TYR A 42 1.246 7.455 -2.825 1.00 53.41 H new ATOM 0 HE1 TYR A 42 -3.338 9.233 -3.006 1.00 61.33 H new ATOM 0 HE2 TYR A 42 -0.111 7.140 -4.847 1.00 62.11 H new ATOM 0 HH TYR A 42 -3.348 8.578 -5.145 1.00 32.44 H new ATOM 687 N PHE A 43 -2.370 7.566 0.814 1.00 12.34 N ATOM 688 CA PHE A 43 -3.252 6.409 0.914 1.00 52.32 C ATOM 689 C PHE A 43 -4.306 6.433 -0.189 1.00 72.43 C ATOM 690 O PHE A 43 -5.163 7.316 -0.225 1.00 33.03 O ATOM 691 CB PHE A 43 -3.932 6.376 2.284 1.00 54.00 C ATOM 692 CG PHE A 43 -4.118 4.988 2.828 1.00 51.24 C ATOM 693 CD1 PHE A 43 -4.152 3.895 1.977 1.00 52.44 C ATOM 694 CD2 PHE A 43 -4.259 4.777 4.190 1.00 70.43 C ATOM 695 CE1 PHE A 43 -4.323 2.617 2.474 1.00 64.15 C ATOM 696 CE2 PHE A 43 -4.429 3.501 4.692 1.00 32.54 C ATOM 697 CZ PHE A 43 -4.462 2.419 3.833 1.00 13.52 C ATOM 0 H PHE A 43 -2.853 8.454 0.677 1.00 12.34 H new ATOM 0 HA PHE A 43 -2.647 5.510 0.795 1.00 52.32 H new ATOM 0 HB2 PHE A 43 -3.338 6.958 2.989 1.00 54.00 H new ATOM 0 HB3 PHE A 43 -4.905 6.862 2.210 1.00 54.00 H new ATOM 0 HD1 PHE A 43 -4.044 4.044 0.913 1.00 52.44 H new ATOM 0 HD2 PHE A 43 -4.236 5.619 4.866 1.00 70.43 H new ATOM 0 HE1 PHE A 43 -4.348 1.774 1.800 1.00 64.15 H new ATOM 0 HE2 PHE A 43 -4.536 3.349 5.756 1.00 32.54 H new ATOM 0 HZ PHE A 43 -4.596 1.421 4.224 1.00 13.52 H new ATOM 707 N ILE A 44 -4.235 5.456 -1.088 1.00 13.23 N ATOM 708 CA ILE A 44 -5.183 5.364 -2.191 1.00 41.14 C ATOM 709 C ILE A 44 -5.614 3.920 -2.426 1.00 53.55 C ATOM 710 O ILE A 44 -4.787 3.051 -2.700 1.00 73.44 O ATOM 711 CB ILE A 44 -4.586 5.928 -3.494 1.00 52.24 C ATOM 712 CG1 ILE A 44 -5.530 5.665 -4.669 1.00 53.03 C ATOM 713 CG2 ILE A 44 -3.219 5.316 -3.759 1.00 42.22 C ATOM 714 CD1 ILE A 44 -5.765 6.880 -5.539 1.00 74.24 C ATOM 0 H ILE A 44 -3.531 4.718 -1.074 1.00 13.23 H new ATOM 0 HA ILE A 44 -6.052 5.959 -1.911 1.00 41.14 H new ATOM 0 HB ILE A 44 -4.465 7.006 -3.384 1.00 52.24 H new ATOM 0 HG12 ILE A 44 -5.119 4.863 -5.282 1.00 53.03 H new ATOM 0 HG13 ILE A 44 -6.487 5.313 -4.284 1.00 53.03 H new ATOM 0 HG21 ILE A 44 -2.810 5.725 -4.683 1.00 42.22 H new ATOM 0 HG22 ILE A 44 -2.549 5.550 -2.932 1.00 42.22 H new ATOM 0 HG23 ILE A 44 -3.317 4.234 -3.852 1.00 42.22 H new ATOM 0 HD11 ILE A 44 -6.443 6.620 -6.352 1.00 74.24 H new ATOM 0 HD12 ILE A 44 -6.205 7.677 -4.940 1.00 74.24 H new ATOM 0 HD13 ILE A 44 -4.816 7.220 -5.954 1.00 74.24 H new ATOM 726 N VAL A 45 -6.916 3.673 -2.319 1.00 61.42 N ATOM 727 CA VAL A 45 -7.459 2.335 -2.523 1.00 22.11 C ATOM 728 C VAL A 45 -8.518 2.333 -3.619 1.00 61.34 C ATOM 729 O VAL A 45 -9.211 3.327 -3.829 1.00 73.13 O ATOM 730 CB VAL A 45 -8.076 1.776 -1.227 1.00 11.30 C ATOM 731 CG1 VAL A 45 -8.147 0.258 -1.281 1.00 34.14 C ATOM 732 CG2 VAL A 45 -7.280 2.239 -0.016 1.00 31.52 C ATOM 0 H VAL A 45 -7.614 4.382 -2.092 1.00 61.42 H new ATOM 0 HA VAL A 45 -6.627 1.698 -2.825 1.00 22.11 H new ATOM 0 HB VAL A 45 -9.092 2.159 -1.133 1.00 11.30 H new ATOM 0 HG11 VAL A 45 -8.586 -0.119 -0.357 1.00 34.14 H new ATOM 0 HG12 VAL A 45 -8.764 -0.048 -2.126 1.00 34.14 H new ATOM 0 HG13 VAL A 45 -7.143 -0.149 -1.398 1.00 34.14 H new ATOM 0 HG21 VAL A 45 -7.730 1.835 0.891 1.00 31.52 H new ATOM 0 HG22 VAL A 45 -6.252 1.886 -0.100 1.00 31.52 H new ATOM 0 HG23 VAL A 45 -7.287 3.328 0.029 1.00 31.52 H new ATOM 742 N GLY A 46 -8.638 1.207 -4.317 1.00 24.00 N ATOM 743 CA GLY A 46 -9.615 1.096 -5.384 1.00 20.10 C ATOM 744 C GLY A 46 -10.347 -0.231 -5.363 1.00 73.25 C ATOM 745 O GLY A 46 -9.803 -1.240 -4.918 1.00 24.52 O ATOM 0 H GLY A 46 -8.076 0.370 -4.162 1.00 24.00 H new ATOM 0 HA2 GLY A 46 -10.337 1.908 -5.297 1.00 20.10 H new ATOM 0 HA3 GLY A 46 -9.115 1.216 -6.345 1.00 20.10 H new ATOM 749 N GLU A 47 -11.586 -0.229 -5.846 1.00 31.33 N ATOM 750 CA GLU A 47 -12.394 -1.443 -5.878 1.00 54.51 C ATOM 751 C GLU A 47 -12.612 -1.913 -7.313 1.00 54.13 C ATOM 752 O GLU A 47 -12.929 -1.117 -8.196 1.00 52.33 O ATOM 753 CB GLU A 47 -13.744 -1.201 -5.198 1.00 62.33 C ATOM 754 CG GLU A 47 -14.205 -2.361 -4.332 1.00 70.41 C ATOM 755 CD GLU A 47 -14.276 -3.669 -5.097 1.00 40.43 C ATOM 756 OE1 GLU A 47 -15.061 -3.748 -6.065 1.00 31.50 O ATOM 757 OE2 GLU A 47 -13.545 -4.612 -4.728 1.00 15.11 O ATOM 0 H GLU A 47 -12.051 0.598 -6.220 1.00 31.33 H new ATOM 0 HA GLU A 47 -11.857 -2.222 -5.337 1.00 54.51 H new ATOM 0 HB2 GLU A 47 -13.676 -0.304 -4.583 1.00 62.33 H new ATOM 0 HB3 GLU A 47 -14.497 -1.007 -5.962 1.00 62.33 H new ATOM 0 HG2 GLU A 47 -13.523 -2.474 -3.489 1.00 70.41 H new ATOM 0 HG3 GLU A 47 -15.187 -2.133 -3.918 1.00 70.41 H new ATOM 875 N PRO A 56 -15.839 -9.397 -6.232 1.00 70.42 N ATOM 876 CA PRO A 56 -15.009 -8.189 -6.246 1.00 23.44 C ATOM 877 C PRO A 56 -13.596 -8.452 -5.736 1.00 3.52 C ATOM 878 O PRO A 56 -13.331 -9.480 -5.112 1.00 43.22 O ATOM 879 CB PRO A 56 -15.750 -7.239 -5.302 1.00 20.00 C ATOM 880 CG PRO A 56 -16.516 -8.133 -4.389 1.00 4.13 C ATOM 881 CD PRO A 56 -16.895 -9.335 -5.208 1.00 74.12 C ATOM 0 HA PRO A 56 -14.879 -7.795 -7.254 1.00 23.44 H new ATOM 0 HB2 PRO A 56 -15.054 -6.609 -4.748 1.00 20.00 H new ATOM 0 HB3 PRO A 56 -16.414 -6.572 -5.852 1.00 20.00 H new ATOM 0 HG2 PRO A 56 -15.912 -8.422 -3.529 1.00 4.13 H new ATOM 0 HG3 PRO A 56 -17.402 -7.629 -4.002 1.00 4.13 H new ATOM 0 HD2 PRO A 56 -16.922 -10.241 -4.603 1.00 74.12 H new ATOM 0 HD3 PRO A 56 -17.882 -9.221 -5.655 1.00 74.12 H new ATOM 889 N HIS A 57 -12.691 -7.515 -6.004 1.00 73.13 N ATOM 890 CA HIS A 57 -11.305 -7.645 -5.571 1.00 44.13 C ATOM 891 C HIS A 57 -10.759 -6.305 -5.086 1.00 71.13 C ATOM 892 O HIS A 57 -11.050 -5.258 -5.666 1.00 65.04 O ATOM 893 CB HIS A 57 -10.439 -8.178 -6.714 1.00 12.34 C ATOM 894 CG HIS A 57 -8.976 -8.199 -6.397 1.00 5.13 C ATOM 895 ND1 HIS A 57 -8.325 -9.317 -5.920 1.00 21.21 N ATOM 896 CD2 HIS A 57 -8.035 -7.230 -6.492 1.00 61.32 C ATOM 897 CE1 HIS A 57 -7.048 -9.035 -5.734 1.00 63.23 C ATOM 898 NE2 HIS A 57 -6.846 -7.775 -6.075 1.00 25.04 N ATOM 0 H HIS A 57 -12.893 -6.658 -6.519 1.00 73.13 H new ATOM 0 HA HIS A 57 -11.274 -8.352 -4.742 1.00 44.13 H new ATOM 0 HB2 HIS A 57 -10.763 -9.188 -6.964 1.00 12.34 H new ATOM 0 HB3 HIS A 57 -10.602 -7.563 -7.599 1.00 12.34 H new ATOM 0 HD1 HIS A 57 -8.761 -10.221 -5.739 1.00 21.21 H new ATOM 0 HD2 HIS A 57 -8.191 -6.217 -6.832 1.00 61.32 H new ATOM 0 HE1 HIS A 57 -6.297 -9.718 -5.366 1.00 63.23 H new ATOM 906 N LEU A 58 -9.969 -6.345 -4.019 1.00 64.15 N ATOM 907 CA LEU A 58 -9.383 -5.134 -3.456 1.00 2.15 C ATOM 908 C LEU A 58 -7.989 -4.888 -4.023 1.00 44.03 C ATOM 909 O LEU A 58 -7.176 -5.807 -4.118 1.00 30.44 O ATOM 910 CB LEU A 58 -9.314 -5.239 -1.931 1.00 63.20 C ATOM 911 CG LEU A 58 -9.941 -4.084 -1.149 1.00 63.24 C ATOM 912 CD1 LEU A 58 -9.674 -4.240 0.340 1.00 65.34 C ATOM 913 CD2 LEU A 58 -9.409 -2.750 -1.652 1.00 11.35 C ATOM 0 H LEU A 58 -9.720 -7.203 -3.526 1.00 64.15 H new ATOM 0 HA LEU A 58 -10.019 -4.292 -3.729 1.00 2.15 H new ATOM 0 HB2 LEU A 58 -9.804 -6.164 -1.628 1.00 63.20 H new ATOM 0 HB3 LEU A 58 -8.267 -5.322 -1.640 1.00 63.20 H new ATOM 0 HG LEU A 58 -11.019 -4.106 -1.307 1.00 63.24 H new ATOM 0 HD11 LEU A 58 -10.128 -3.409 0.880 1.00 65.34 H new ATOM 0 HD12 LEU A 58 -10.104 -5.178 0.690 1.00 65.34 H new ATOM 0 HD13 LEU A 58 -8.599 -4.245 0.518 1.00 65.34 H new ATOM 0 HD21 LEU A 58 -9.866 -1.939 -1.085 1.00 11.35 H new ATOM 0 HD22 LEU A 58 -8.327 -2.718 -1.524 1.00 11.35 H new ATOM 0 HD23 LEU A 58 -9.653 -2.636 -2.708 1.00 11.35 H new ATOM 925 N GLN A 59 -7.719 -3.641 -4.398 1.00 32.52 N ATOM 926 CA GLN A 59 -6.422 -3.275 -4.955 1.00 34.13 C ATOM 927 C GLN A 59 -6.121 -1.801 -4.708 1.00 40.51 C ATOM 928 O GLN A 59 -6.792 -0.921 -5.247 1.00 3.04 O ATOM 929 CB GLN A 59 -6.386 -3.571 -6.455 1.00 61.30 C ATOM 930 CG GLN A 59 -5.176 -2.982 -7.162 1.00 60.32 C ATOM 931 CD GLN A 59 -3.869 -3.582 -6.681 1.00 15.34 C ATOM 932 OE1 GLN A 59 -3.368 -4.549 -7.255 1.00 1.24 O ATOM 933 NE2 GLN A 59 -3.310 -3.009 -5.621 1.00 71.20 N ATOM 0 H GLN A 59 -8.381 -2.868 -4.326 1.00 32.52 H new ATOM 0 HA GLN A 59 -5.658 -3.872 -4.456 1.00 34.13 H new ATOM 0 HB2 GLN A 59 -6.394 -4.651 -6.604 1.00 61.30 H new ATOM 0 HB3 GLN A 59 -7.292 -3.179 -6.916 1.00 61.30 H new ATOM 0 HG2 GLN A 59 -5.273 -3.144 -8.235 1.00 60.32 H new ATOM 0 HG3 GLN A 59 -5.157 -1.904 -7.003 1.00 60.32 H new ATOM 0 HE21 GLN A 59 -3.761 -2.209 -5.177 1.00 71.20 H new ATOM 0 HE22 GLN A 59 -2.430 -3.369 -5.251 1.00 71.20 H new ATOM 942 N GLY A 60 -5.107 -1.538 -3.889 1.00 41.42 N ATOM 943 CA GLY A 60 -4.735 -0.168 -3.585 1.00 61.21 C ATOM 944 C GLY A 60 -3.271 -0.033 -3.216 1.00 62.42 C ATOM 945 O GLY A 60 -2.560 -1.031 -3.092 1.00 41.15 O ATOM 0 H GLY A 60 -4.537 -2.249 -3.431 1.00 41.42 H new ATOM 0 HA2 GLY A 60 -4.949 0.463 -4.448 1.00 61.21 H new ATOM 0 HA3 GLY A 60 -5.349 0.198 -2.762 1.00 61.21 H new ATOM 949 N PHE A 61 -2.818 1.204 -3.042 1.00 23.45 N ATOM 950 CA PHE A 61 -1.428 1.466 -2.687 1.00 63.33 C ATOM 951 C PHE A 61 -1.339 2.431 -1.509 1.00 34.23 C ATOM 952 O PHE A 61 -2.107 3.389 -1.418 1.00 63.42 O ATOM 953 CB PHE A 61 -0.673 2.039 -3.888 1.00 44.32 C ATOM 954 CG PHE A 61 0.657 2.639 -3.530 1.00 12.34 C ATOM 955 CD1 PHE A 61 1.612 1.890 -2.862 1.00 45.04 C ATOM 956 CD2 PHE A 61 0.951 3.952 -3.860 1.00 41.22 C ATOM 957 CE1 PHE A 61 2.836 2.440 -2.531 1.00 2.05 C ATOM 958 CE2 PHE A 61 2.173 4.508 -3.531 1.00 64.43 C ATOM 959 CZ PHE A 61 3.117 3.750 -2.867 1.00 25.15 C ATOM 0 H PHE A 61 -3.393 2.041 -3.141 1.00 23.45 H new ATOM 0 HA PHE A 61 -0.970 0.521 -2.395 1.00 63.33 H new ATOM 0 HB2 PHE A 61 -0.520 1.248 -4.622 1.00 44.32 H new ATOM 0 HB3 PHE A 61 -1.290 2.801 -4.365 1.00 44.32 H new ATOM 0 HD1 PHE A 61 1.398 0.865 -2.597 1.00 45.04 H new ATOM 0 HD2 PHE A 61 0.216 4.548 -4.381 1.00 41.22 H new ATOM 0 HE1 PHE A 61 3.572 1.846 -2.010 1.00 2.05 H new ATOM 0 HE2 PHE A 61 2.389 5.533 -3.793 1.00 64.43 H new ATOM 0 HZ PHE A 61 4.074 4.181 -2.611 1.00 25.15 H new ATOM 969 N ALA A 62 -0.398 2.170 -0.607 1.00 72.03 N ATOM 970 CA ALA A 62 -0.208 3.015 0.565 1.00 40.11 C ATOM 971 C ALA A 62 1.269 3.325 0.785 1.00 71.34 C ATOM 972 O ALA A 62 2.096 2.418 0.874 1.00 11.41 O ATOM 973 CB ALA A 62 -0.799 2.348 1.798 1.00 25.32 C ATOM 0 H ALA A 62 0.244 1.380 -0.666 1.00 72.03 H new ATOM 0 HA ALA A 62 -0.728 3.957 0.391 1.00 40.11 H new ATOM 0 HB1 ALA A 62 -0.650 2.990 2.666 1.00 25.32 H new ATOM 0 HB2 ALA A 62 -1.866 2.184 1.647 1.00 25.32 H new ATOM 0 HB3 ALA A 62 -0.305 1.391 1.966 1.00 25.32 H new ATOM 979 N ASN A 63 1.593 4.611 0.870 1.00 71.11 N ATOM 980 CA ASN A 63 2.971 5.040 1.078 1.00 62.31 C ATOM 981 C ASN A 63 3.283 5.165 2.566 1.00 24.31 C ATOM 982 O ASN A 63 2.730 6.019 3.258 1.00 54.51 O ATOM 983 CB ASN A 63 3.222 6.377 0.379 1.00 42.24 C ATOM 984 CG ASN A 63 4.681 6.790 0.426 1.00 72.41 C ATOM 985 OD1 ASN A 63 5.326 6.713 1.472 1.00 74.42 O ATOM 986 ND2 ASN A 63 5.208 7.231 -0.710 1.00 72.24 N ATOM 0 H ASN A 63 0.920 5.374 0.798 1.00 71.11 H new ATOM 0 HA ASN A 63 3.629 4.284 0.649 1.00 62.31 H new ATOM 0 HB2 ASN A 63 2.901 6.306 -0.660 1.00 42.24 H new ATOM 0 HB3 ASN A 63 2.613 7.149 0.849 1.00 42.24 H new ATOM 0 HD21 ASN A 63 6.185 7.523 -0.740 1.00 72.24 H new ATOM 0 HD22 ASN A 63 4.636 7.278 -1.553 1.00 72.24 H new ATOM 993 N PHE A 64 4.174 4.307 3.052 1.00 24.02 N ATOM 994 CA PHE A 64 4.561 4.321 4.458 1.00 34.43 C ATOM 995 C PHE A 64 5.431 5.534 4.772 1.00 51.24 C ATOM 996 O PHE A 64 6.448 5.768 4.119 1.00 24.32 O ATOM 997 CB PHE A 64 5.310 3.036 4.816 1.00 61.52 C ATOM 998 CG PHE A 64 4.548 2.136 5.747 1.00 51.25 C ATOM 999 CD1 PHE A 64 4.372 2.483 7.077 1.00 60.35 C ATOM 1000 CD2 PHE A 64 4.007 0.945 5.291 1.00 31.44 C ATOM 1001 CE1 PHE A 64 3.672 1.656 7.935 1.00 12.51 C ATOM 1002 CE2 PHE A 64 3.305 0.114 6.145 1.00 2.53 C ATOM 1003 CZ PHE A 64 3.137 0.472 7.469 1.00 73.43 C ATOM 0 H PHE A 64 4.642 3.593 2.493 1.00 24.02 H new ATOM 0 HA PHE A 64 3.653 4.383 5.057 1.00 34.43 H new ATOM 0 HB2 PHE A 64 5.536 2.490 3.900 1.00 61.52 H new ATOM 0 HB3 PHE A 64 6.263 3.297 5.275 1.00 61.52 H new ATOM 0 HD1 PHE A 64 4.786 3.409 7.447 1.00 60.35 H new ATOM 0 HD2 PHE A 64 4.135 0.662 4.257 1.00 31.44 H new ATOM 0 HE1 PHE A 64 3.544 1.936 8.970 1.00 12.51 H new ATOM 0 HE2 PHE A 64 2.889 -0.813 5.778 1.00 2.53 H new ATOM 0 HZ PHE A 64 2.588 -0.174 8.138 1.00 73.43 H new ATOM 1013 N VAL A 65 5.023 6.305 5.775 1.00 75.31 N ATOM 1014 CA VAL A 65 5.764 7.494 6.176 1.00 0.30 C ATOM 1015 C VAL A 65 7.179 7.137 6.616 1.00 3.20 C ATOM 1016 O VAL A 65 8.073 7.984 6.620 1.00 12.41 O ATOM 1017 CB VAL A 65 5.054 8.238 7.323 1.00 50.13 C ATOM 1018 CG1 VAL A 65 5.888 9.422 7.789 1.00 73.05 C ATOM 1019 CG2 VAL A 65 3.668 8.690 6.887 1.00 64.13 C ATOM 0 H VAL A 65 4.183 6.127 6.325 1.00 75.31 H new ATOM 0 HA VAL A 65 5.811 8.146 5.304 1.00 0.30 H new ATOM 0 HB VAL A 65 4.940 7.552 8.162 1.00 50.13 H new ATOM 0 HG11 VAL A 65 5.370 9.935 8.599 1.00 73.05 H new ATOM 0 HG12 VAL A 65 6.856 9.068 8.143 1.00 73.05 H new ATOM 0 HG13 VAL A 65 6.036 10.112 6.958 1.00 73.05 H new ATOM 0 HG21 VAL A 65 3.181 9.214 7.709 1.00 64.13 H new ATOM 0 HG22 VAL A 65 3.756 9.360 6.032 1.00 64.13 H new ATOM 0 HG23 VAL A 65 3.073 7.821 6.607 1.00 64.13 H new ATOM 1029 N LYS A 66 7.378 5.877 6.986 1.00 34.41 N ATOM 1030 CA LYS A 66 8.685 5.405 7.427 1.00 71.43 C ATOM 1031 C LYS A 66 9.125 4.189 6.618 1.00 63.40 C ATOM 1032 O LYS A 66 8.445 3.775 5.679 1.00 70.21 O ATOM 1033 CB LYS A 66 8.648 5.054 8.916 1.00 71.21 C ATOM 1034 CG LYS A 66 8.821 6.256 9.828 1.00 21.33 C ATOM 1035 CD LYS A 66 7.500 6.964 10.074 1.00 53.42 C ATOM 1036 CE LYS A 66 6.643 6.213 11.081 1.00 11.12 C ATOM 1037 NZ LYS A 66 6.162 7.104 12.173 1.00 35.54 N ATOM 0 H LYS A 66 6.650 5.163 6.989 1.00 34.41 H new ATOM 0 HA LYS A 66 9.406 6.207 7.267 1.00 71.43 H new ATOM 0 HB2 LYS A 66 7.698 4.570 9.143 1.00 71.21 H new ATOM 0 HB3 LYS A 66 9.434 4.330 9.130 1.00 71.21 H new ATOM 0 HG2 LYS A 66 9.245 5.934 10.779 1.00 21.33 H new ATOM 0 HG3 LYS A 66 9.531 6.953 9.382 1.00 21.33 H new ATOM 0 HD2 LYS A 66 7.690 7.974 10.438 1.00 53.42 H new ATOM 0 HD3 LYS A 66 6.957 7.061 9.134 1.00 53.42 H new ATOM 0 HE2 LYS A 66 5.788 5.769 10.571 1.00 11.12 H new ATOM 0 HE3 LYS A 66 7.220 5.393 11.509 1.00 11.12 H new ATOM 0 HZ1 LYS A 66 5.582 6.555 12.839 1.00 35.54 H new ATOM 0 HZ2 LYS A 66 6.978 7.508 12.676 1.00 35.54 H new ATOM 0 HZ3 LYS A 66 5.590 7.872 11.768 1.00 35.54 H new ATOM 1051 N LYS A 67 10.267 3.619 6.989 1.00 33.31 N ATOM 1052 CA LYS A 67 10.797 2.448 6.301 1.00 43.03 C ATOM 1053 C LYS A 67 10.405 1.165 7.027 1.00 1.41 C ATOM 1054 O LYS A 67 10.855 0.913 8.144 1.00 22.52 O ATOM 1055 CB LYS A 67 12.321 2.541 6.194 1.00 61.31 C ATOM 1056 CG LYS A 67 12.807 3.805 5.507 1.00 11.31 C ATOM 1057 CD LYS A 67 13.630 3.487 4.270 1.00 1.11 C ATOM 1058 CE LYS A 67 15.117 3.437 4.588 1.00 53.44 C ATOM 1059 NZ LYS A 67 15.731 4.794 4.579 1.00 24.31 N ATOM 0 H LYS A 67 10.843 3.950 7.763 1.00 33.31 H new ATOM 0 HA LYS A 67 10.369 2.422 5.299 1.00 43.03 H new ATOM 0 HB2 LYS A 67 12.751 2.493 7.195 1.00 61.31 H new ATOM 0 HB3 LYS A 67 12.692 1.675 5.646 1.00 61.31 H new ATOM 0 HG2 LYS A 67 11.952 4.420 5.228 1.00 11.31 H new ATOM 0 HG3 LYS A 67 13.407 4.391 6.203 1.00 11.31 H new ATOM 0 HD2 LYS A 67 13.313 2.530 3.857 1.00 1.11 H new ATOM 0 HD3 LYS A 67 13.445 4.241 3.505 1.00 1.11 H new ATOM 0 HE2 LYS A 67 15.264 2.978 5.566 1.00 53.44 H new ATOM 0 HE3 LYS A 67 15.623 2.804 3.859 1.00 53.44 H new ATOM 0 HZ1 LYS A 67 16.744 4.718 4.800 1.00 24.31 H new ATOM 0 HZ2 LYS A 67 15.613 5.222 3.639 1.00 24.31 H new ATOM 0 HZ3 LYS A 67 15.265 5.391 5.292 1.00 24.31 H new ATOM 1073 N GLN A 68 9.566 0.360 6.385 1.00 73.24 N ATOM 1074 CA GLN A 68 9.115 -0.897 6.971 1.00 54.15 C ATOM 1075 C GLN A 68 9.399 -2.067 6.034 1.00 13.04 C ATOM 1076 O GLN A 68 9.593 -1.882 4.832 1.00 22.05 O ATOM 1077 CB GLN A 68 7.619 -0.830 7.283 1.00 32.23 C ATOM 1078 CG GLN A 68 7.299 -0.092 8.573 1.00 23.02 C ATOM 1079 CD GLN A 68 7.860 1.316 8.594 1.00 5.11 C ATOM 1080 OE1 GLN A 68 7.589 2.118 7.700 1.00 13.44 O ATOM 1081 NE2 GLN A 68 8.648 1.625 9.617 1.00 25.55 N ATOM 0 H GLN A 68 9.185 0.555 5.459 1.00 73.24 H new ATOM 0 HA GLN A 68 9.666 -1.055 7.898 1.00 54.15 H new ATOM 0 HB2 GLN A 68 7.106 -0.339 6.456 1.00 32.23 H new ATOM 0 HB3 GLN A 68 7.224 -1.844 7.347 1.00 32.23 H new ATOM 0 HG2 GLN A 68 6.218 -0.050 8.705 1.00 23.02 H new ATOM 0 HG3 GLN A 68 7.702 -0.652 9.417 1.00 23.02 H new ATOM 0 HE21 GLN A 68 8.846 0.929 10.336 1.00 25.55 H new ATOM 0 HE22 GLN A 68 9.055 2.558 9.684 1.00 25.55 H new ATOM 1090 N THR A 69 9.422 -3.273 6.593 1.00 71.31 N ATOM 1091 CA THR A 69 9.684 -4.474 5.809 1.00 52.41 C ATOM 1092 C THR A 69 8.385 -5.162 5.407 1.00 35.20 C ATOM 1093 O THR A 69 7.304 -4.782 5.857 1.00 14.32 O ATOM 1094 CB THR A 69 10.562 -5.472 6.587 1.00 75.24 C ATOM 1095 OG1 THR A 69 9.769 -6.172 7.553 1.00 42.14 O ATOM 1096 CG2 THR A 69 11.707 -4.756 7.286 1.00 51.31 C ATOM 0 H THR A 69 9.262 -3.444 7.586 1.00 71.31 H new ATOM 0 HA THR A 69 10.216 -4.157 4.912 1.00 52.41 H new ATOM 0 HB THR A 69 10.981 -6.184 5.876 1.00 75.24 H new ATOM 0 HG1 THR A 69 10.334 -6.806 8.042 1.00 42.14 H new ATOM 0 HG21 THR A 69 12.313 -5.482 7.829 1.00 51.31 H new ATOM 0 HG22 THR A 69 12.325 -4.249 6.545 1.00 51.31 H new ATOM 0 HG23 THR A 69 11.305 -4.023 7.986 1.00 51.31 H new ATOM 1104 N PHE A 70 8.497 -6.178 4.558 1.00 72.13 N ATOM 1105 CA PHE A 70 7.330 -6.920 4.095 1.00 70.21 C ATOM 1106 C PHE A 70 6.612 -7.590 5.263 1.00 5.44 C ATOM 1107 O PHE A 70 5.411 -7.409 5.453 1.00 14.53 O ATOM 1108 CB PHE A 70 7.744 -7.973 3.065 1.00 25.43 C ATOM 1109 CG PHE A 70 6.695 -9.020 2.823 1.00 71.13 C ATOM 1110 CD1 PHE A 70 5.493 -8.688 2.218 1.00 1.04 C ATOM 1111 CD2 PHE A 70 6.910 -10.336 3.199 1.00 31.04 C ATOM 1112 CE1 PHE A 70 4.525 -9.649 1.993 1.00 2.23 C ATOM 1113 CE2 PHE A 70 5.946 -11.301 2.976 1.00 20.15 C ATOM 1114 CZ PHE A 70 4.752 -10.957 2.374 1.00 52.11 C ATOM 0 H PHE A 70 9.384 -6.506 4.177 1.00 72.13 H new ATOM 0 HA PHE A 70 6.644 -6.214 3.627 1.00 70.21 H new ATOM 0 HB2 PHE A 70 7.975 -7.477 2.122 1.00 25.43 H new ATOM 0 HB3 PHE A 70 8.660 -8.459 3.402 1.00 25.43 H new ATOM 0 HD1 PHE A 70 5.310 -7.666 1.919 1.00 1.04 H new ATOM 0 HD2 PHE A 70 7.841 -10.611 3.672 1.00 31.04 H new ATOM 0 HE1 PHE A 70 3.593 -9.377 1.520 1.00 2.23 H new ATOM 0 HE2 PHE A 70 6.127 -12.324 3.272 1.00 20.15 H new ATOM 0 HZ PHE A 70 3.997 -11.709 2.201 1.00 52.11 H new ATOM 1124 N ASN A 71 7.360 -8.364 6.043 1.00 34.41 N ATOM 1125 CA ASN A 71 6.795 -9.062 7.193 1.00 65.53 C ATOM 1126 C ASN A 71 6.229 -8.073 8.206 1.00 55.53 C ATOM 1127 O ASN A 71 5.164 -8.298 8.782 1.00 2.32 O ATOM 1128 CB ASN A 71 7.861 -9.936 7.858 1.00 73.40 C ATOM 1129 CG ASN A 71 7.448 -11.394 7.933 1.00 3.22 C ATOM 1130 OD1 ASN A 71 6.347 -11.717 8.378 1.00 12.43 O ATOM 1131 ND2 ASN A 71 8.334 -12.282 7.497 1.00 32.33 N ATOM 0 H ASN A 71 8.357 -8.524 5.900 1.00 34.41 H new ATOM 0 HA ASN A 71 5.982 -9.696 6.839 1.00 65.53 H new ATOM 0 HB2 ASN A 71 8.794 -9.854 7.301 1.00 73.40 H new ATOM 0 HB3 ASN A 71 8.056 -9.564 8.864 1.00 73.40 H new ATOM 0 HD21 ASN A 71 8.113 -13.278 7.523 1.00 32.33 H new ATOM 0 HD22 ASN A 71 9.235 -11.968 7.136 1.00 32.33 H new ATOM 1138 N LYS A 72 6.947 -6.975 8.418 1.00 54.23 N ATOM 1139 CA LYS A 72 6.516 -5.948 9.359 1.00 31.11 C ATOM 1140 C LYS A 72 5.230 -5.280 8.885 1.00 55.25 C ATOM 1141 O LYS A 72 4.265 -5.161 9.640 1.00 74.02 O ATOM 1142 CB LYS A 72 7.614 -4.897 9.537 1.00 52.14 C ATOM 1143 CG LYS A 72 7.660 -4.295 10.930 1.00 11.23 C ATOM 1144 CD LYS A 72 6.317 -3.704 11.327 1.00 23.43 C ATOM 1145 CE LYS A 72 6.397 -2.991 12.668 1.00 11.50 C ATOM 1146 NZ LYS A 72 7.010 -3.850 13.718 1.00 3.33 N ATOM 0 H LYS A 72 7.831 -6.774 7.950 1.00 54.23 H new ATOM 0 HA LYS A 72 6.322 -6.428 10.318 1.00 31.11 H new ATOM 0 HB2 LYS A 72 8.580 -5.351 9.315 1.00 52.14 H new ATOM 0 HB3 LYS A 72 7.462 -4.099 8.810 1.00 52.14 H new ATOM 0 HG2 LYS A 72 7.948 -5.062 11.649 1.00 11.23 H new ATOM 0 HG3 LYS A 72 8.425 -3.519 10.967 1.00 11.23 H new ATOM 0 HD2 LYS A 72 5.986 -3.004 10.560 1.00 23.43 H new ATOM 0 HD3 LYS A 72 5.570 -4.497 11.379 1.00 23.43 H new ATOM 0 HE2 LYS A 72 6.982 -2.078 12.559 1.00 11.50 H new ATOM 0 HE3 LYS A 72 5.396 -2.693 12.981 1.00 11.50 H new ATOM 0 HZ1 LYS A 72 6.849 -3.424 14.653 1.00 3.33 H new ATOM 0 HZ2 LYS A 72 6.577 -4.795 13.690 1.00 3.33 H new ATOM 0 HZ3 LYS A 72 8.032 -3.932 13.546 1.00 3.33 H new ATOM 1160 N VAL A 73 5.222 -4.846 7.628 1.00 1.00 N ATOM 1161 CA VAL A 73 4.053 -4.192 7.052 1.00 61.11 C ATOM 1162 C VAL A 73 2.808 -5.059 7.204 1.00 41.41 C ATOM 1163 O VAL A 73 1.685 -4.555 7.215 1.00 53.24 O ATOM 1164 CB VAL A 73 4.266 -3.875 5.560 1.00 73.33 C ATOM 1165 CG1 VAL A 73 2.957 -3.450 4.912 1.00 33.02 C ATOM 1166 CG2 VAL A 73 5.328 -2.800 5.390 1.00 41.11 C ATOM 0 H VAL A 73 6.012 -4.936 6.989 1.00 1.00 H new ATOM 0 HA VAL A 73 3.911 -3.259 7.597 1.00 61.11 H new ATOM 0 HB VAL A 73 4.614 -4.779 5.061 1.00 73.33 H new ATOM 0 HG11 VAL A 73 3.127 -3.230 3.858 1.00 33.02 H new ATOM 0 HG12 VAL A 73 2.228 -4.256 5.001 1.00 33.02 H new ATOM 0 HG13 VAL A 73 2.576 -2.559 5.412 1.00 33.02 H new ATOM 0 HG21 VAL A 73 5.465 -2.589 4.330 1.00 41.11 H new ATOM 0 HG22 VAL A 73 5.012 -1.892 5.903 1.00 41.11 H new ATOM 0 HG23 VAL A 73 6.269 -3.148 5.816 1.00 41.11 H new ATOM 1176 N LYS A 74 3.015 -6.366 7.322 1.00 54.11 N ATOM 1177 CA LYS A 74 1.910 -7.305 7.475 1.00 14.34 C ATOM 1178 C LYS A 74 1.177 -7.072 8.793 1.00 70.02 C ATOM 1179 O LYS A 74 0.090 -7.607 9.012 1.00 41.20 O ATOM 1180 CB LYS A 74 2.424 -8.745 7.413 1.00 4.43 C ATOM 1181 CG LYS A 74 3.140 -9.079 6.116 1.00 72.31 C ATOM 1182 CD LYS A 74 2.665 -10.404 5.543 1.00 31.21 C ATOM 1183 CE LYS A 74 1.604 -10.200 4.472 1.00 22.23 C ATOM 1184 NZ LYS A 74 1.258 -11.475 3.784 1.00 4.21 N ATOM 0 H LYS A 74 3.938 -6.799 7.315 1.00 54.11 H new ATOM 0 HA LYS A 74 1.210 -7.140 6.656 1.00 14.34 H new ATOM 0 HB2 LYS A 74 3.104 -8.916 8.248 1.00 4.43 H new ATOM 0 HB3 LYS A 74 1.584 -9.428 7.541 1.00 4.43 H new ATOM 0 HG2 LYS A 74 2.968 -8.285 5.389 1.00 72.31 H new ATOM 0 HG3 LYS A 74 4.215 -9.122 6.293 1.00 72.31 H new ATOM 0 HD2 LYS A 74 3.512 -10.943 5.119 1.00 31.21 H new ATOM 0 HD3 LYS A 74 2.261 -11.024 6.343 1.00 31.21 H new ATOM 0 HE2 LYS A 74 0.707 -9.777 4.925 1.00 22.23 H new ATOM 0 HE3 LYS A 74 1.962 -9.477 3.739 1.00 22.23 H new ATOM 0 HZ1 LYS A 74 0.400 -11.339 3.212 1.00 4.21 H new ATOM 0 HZ2 LYS A 74 2.044 -11.761 3.166 1.00 4.21 H new ATOM 0 HZ3 LYS A 74 1.087 -12.217 4.493 1.00 4.21 H new ATOM 1198 N TRP A 75 1.778 -6.271 9.665 1.00 50.11 N ATOM 1199 CA TRP A 75 1.181 -5.967 10.960 1.00 11.44 C ATOM 1200 C TRP A 75 -0.044 -5.073 10.799 1.00 44.40 C ATOM 1201 O TRP A 75 -0.890 -4.996 11.690 1.00 60.40 O ATOM 1202 CB TRP A 75 2.206 -5.289 11.871 1.00 41.31 C ATOM 1203 CG TRP A 75 2.392 -3.831 11.574 1.00 21.43 C ATOM 1204 CD1 TRP A 75 2.443 -3.246 10.342 1.00 44.14 C ATOM 1205 CD2 TRP A 75 2.553 -2.776 12.529 1.00 64.43 C ATOM 1206 NE1 TRP A 75 2.627 -1.890 10.472 1.00 31.41 N ATOM 1207 CE2 TRP A 75 2.697 -1.577 11.804 1.00 74.12 C ATOM 1208 CE3 TRP A 75 2.589 -2.728 13.925 1.00 53.32 C ATOM 1209 CZ2 TRP A 75 2.873 -0.346 12.430 1.00 63.04 C ATOM 1210 CZ3 TRP A 75 2.764 -1.505 14.544 1.00 24.14 C ATOM 1211 CH2 TRP A 75 2.904 -0.328 13.798 1.00 41.35 C ATOM 0 H TRP A 75 2.678 -5.820 9.499 1.00 50.11 H new ATOM 0 HA TRP A 75 0.865 -6.906 11.415 1.00 11.44 H new ATOM 0 HB2 TRP A 75 1.892 -5.404 12.908 1.00 41.31 H new ATOM 0 HB3 TRP A 75 3.164 -5.798 11.770 1.00 41.31 H new ATOM 0 HD1 TRP A 75 2.352 -3.771 9.403 1.00 44.14 H new ATOM 0 HE1 TRP A 75 2.700 -1.225 9.702 1.00 31.41 H new ATOM 0 HE3 TRP A 75 2.482 -3.630 14.509 1.00 53.32 H new ATOM 0 HZ2 TRP A 75 2.981 0.563 11.856 1.00 63.04 H new ATOM 0 HZ3 TRP A 75 2.793 -1.456 15.622 1.00 24.14 H new ATOM 0 HH2 TRP A 75 3.039 0.612 14.312 1.00 41.35 H new ATOM 1222 N TYR A 76 -0.132 -4.398 9.658 1.00 70.30 N ATOM 1223 CA TYR A 76 -1.253 -3.508 9.381 1.00 1.44 C ATOM 1224 C TYR A 76 -2.109 -4.047 8.240 1.00 63.34 C ATOM 1225 O TYR A 76 -3.330 -4.151 8.359 1.00 53.14 O ATOM 1226 CB TYR A 76 -0.745 -2.107 9.035 1.00 10.01 C ATOM 1227 CG TYR A 76 -0.881 -1.116 10.169 1.00 55.12 C ATOM 1228 CD1 TYR A 76 -2.023 -1.089 10.961 1.00 43.13 C ATOM 1229 CD2 TYR A 76 0.132 -0.207 10.448 1.00 13.05 C ATOM 1230 CE1 TYR A 76 -2.152 -0.185 11.997 1.00 43.51 C ATOM 1231 CE2 TYR A 76 0.012 0.700 11.484 1.00 52.03 C ATOM 1232 CZ TYR A 76 -1.132 0.708 12.255 1.00 62.44 C ATOM 1233 OH TYR A 76 -1.256 1.609 13.287 1.00 50.12 O ATOM 0 H TYR A 76 0.560 -4.450 8.910 1.00 70.30 H new ATOM 0 HA TYR A 76 -1.870 -3.453 10.278 1.00 1.44 H new ATOM 0 HB2 TYR A 76 0.303 -2.172 8.744 1.00 10.01 H new ATOM 0 HB3 TYR A 76 -1.294 -1.734 8.170 1.00 10.01 H new ATOM 0 HD1 TYR A 76 -2.823 -1.787 10.763 1.00 43.13 H new ATOM 0 HD2 TYR A 76 1.028 -0.209 9.845 1.00 13.05 H new ATOM 0 HE1 TYR A 76 -3.047 -0.177 12.602 1.00 43.51 H new ATOM 0 HE2 TYR A 76 0.810 1.399 11.689 1.00 52.03 H new ATOM 0 HH TYR A 76 -0.369 1.814 13.650 1.00 50.12 H new ATOM 1243 N LEU A 77 -1.459 -4.390 7.133 1.00 24.51 N ATOM 1244 CA LEU A 77 -2.158 -4.921 5.968 1.00 12.10 C ATOM 1245 C LEU A 77 -2.621 -6.353 6.216 1.00 21.00 C ATOM 1246 O LEU A 77 -3.412 -6.902 5.450 1.00 23.22 O ATOM 1247 CB LEU A 77 -1.251 -4.872 4.738 1.00 44.14 C ATOM 1248 CG LEU A 77 -0.919 -3.478 4.203 1.00 75.10 C ATOM 1249 CD1 LEU A 77 -0.041 -3.576 2.965 1.00 12.03 C ATOM 1250 CD2 LEU A 77 -2.195 -2.708 3.894 1.00 33.33 C ATOM 0 H LEU A 77 -0.449 -4.310 7.018 1.00 24.51 H new ATOM 0 HA LEU A 77 -3.036 -4.301 5.789 1.00 12.10 H new ATOM 0 HB2 LEU A 77 -0.317 -5.378 4.980 1.00 44.14 H new ATOM 0 HB3 LEU A 77 -1.725 -5.442 3.939 1.00 44.14 H new ATOM 0 HG LEU A 77 -0.368 -2.937 4.972 1.00 75.10 H new ATOM 0 HD11 LEU A 77 0.185 -2.574 2.599 1.00 12.03 H new ATOM 0 HD12 LEU A 77 0.888 -4.088 3.217 1.00 12.03 H new ATOM 0 HD13 LEU A 77 -0.565 -4.136 2.191 1.00 12.03 H new ATOM 0 HD21 LEU A 77 -1.940 -1.719 3.514 1.00 33.33 H new ATOM 0 HD22 LEU A 77 -2.772 -3.247 3.143 1.00 33.33 H new ATOM 0 HD23 LEU A 77 -2.788 -2.606 4.803 1.00 33.33 H new ATOM 1262 N GLY A 78 -2.123 -6.952 7.294 1.00 73.33 N ATOM 1263 CA GLY A 78 -2.499 -8.314 7.625 1.00 64.42 C ATOM 1264 C GLY A 78 -1.965 -9.322 6.626 1.00 53.13 C ATOM 1265 O GLY A 78 -1.697 -8.981 5.474 1.00 24.41 O ATOM 0 H GLY A 78 -1.466 -6.519 7.943 1.00 73.33 H new ATOM 0 HA2 GLY A 78 -2.125 -8.559 8.619 1.00 64.42 H new ATOM 0 HA3 GLY A 78 -3.586 -8.388 7.666 1.00 64.42 H new ATOM 1269 N ALA A 79 -1.810 -10.566 7.067 1.00 12.33 N ATOM 1270 CA ALA A 79 -1.306 -11.626 6.203 1.00 3.23 C ATOM 1271 C ALA A 79 -2.373 -12.083 5.214 1.00 1.45 C ATOM 1272 O ALA A 79 -2.059 -12.553 4.121 1.00 23.42 O ATOM 1273 CB ALA A 79 -0.820 -12.801 7.039 1.00 63.04 C ATOM 0 H ALA A 79 -2.026 -10.864 8.018 1.00 12.33 H new ATOM 0 HA ALA A 79 -0.467 -11.228 5.633 1.00 3.23 H new ATOM 0 HB1 ALA A 79 -0.446 -13.586 6.381 1.00 63.04 H new ATOM 0 HB2 ALA A 79 -0.019 -12.470 7.701 1.00 63.04 H new ATOM 0 HB3 ALA A 79 -1.646 -13.190 7.635 1.00 63.04 H new ATOM 1279 N ARG A 80 -3.635 -11.941 5.606 1.00 71.11 N ATOM 1280 CA ARG A 80 -4.749 -12.341 4.754 1.00 25.21 C ATOM 1281 C ARG A 80 -4.643 -11.689 3.379 1.00 64.13 C ATOM 1282 O ARG A 80 -4.892 -12.329 2.356 1.00 24.24 O ATOM 1283 CB ARG A 80 -6.079 -11.965 5.408 1.00 54.33 C ATOM 1284 CG ARG A 80 -6.278 -12.580 6.784 1.00 42.45 C ATOM 1285 CD ARG A 80 -6.863 -13.980 6.689 1.00 50.13 C ATOM 1286 NE ARG A 80 -8.283 -13.958 6.349 1.00 51.24 N ATOM 1287 CZ ARG A 80 -9.040 -15.047 6.282 1.00 30.43 C ATOM 1288 NH1 ARG A 80 -8.515 -16.239 6.532 1.00 75.20 N ATOM 1289 NH2 ARG A 80 -10.325 -14.946 5.966 1.00 22.02 N ATOM 0 H ARG A 80 -3.912 -11.552 6.508 1.00 71.11 H new ATOM 0 HA ARG A 80 -4.707 -13.423 4.628 1.00 25.21 H new ATOM 0 HB2 ARG A 80 -6.138 -10.880 5.493 1.00 54.33 H new ATOM 0 HB3 ARG A 80 -6.895 -12.279 4.758 1.00 54.33 H new ATOM 0 HG2 ARG A 80 -5.323 -12.618 7.308 1.00 42.45 H new ATOM 0 HG3 ARG A 80 -6.940 -11.947 7.374 1.00 42.45 H new ATOM 0 HD2 ARG A 80 -6.319 -14.550 5.936 1.00 50.13 H new ATOM 0 HD3 ARG A 80 -6.726 -14.495 7.640 1.00 50.13 H new ATOM 0 HE ARG A 80 -8.717 -13.056 6.152 1.00 51.24 H new ATOM 0 HH11 ARG A 80 -7.528 -16.321 6.776 1.00 75.20 H new ATOM 0 HH12 ARG A 80 -9.098 -17.074 6.480 1.00 75.20 H new ATOM 0 HH21 ARG A 80 -10.733 -14.031 5.774 1.00 22.02 H new ATOM 0 HH22 ARG A 80 -10.905 -15.783 5.915 1.00 22.02 H new ATOM 1303 N CYS A 81 -4.273 -10.413 3.362 1.00 64.44 N ATOM 1304 CA CYS A 81 -4.135 -9.674 2.112 1.00 50.11 C ATOM 1305 C CYS A 81 -2.705 -9.755 1.587 1.00 74.03 C ATOM 1306 O CYS A 81 -1.745 -9.604 2.343 1.00 54.31 O ATOM 1307 CB CYS A 81 -4.535 -8.212 2.314 1.00 42.41 C ATOM 1308 SG CYS A 81 -6.089 -7.988 3.210 1.00 31.23 S ATOM 0 H CYS A 81 -4.063 -9.869 4.199 1.00 64.44 H new ATOM 0 HA CYS A 81 -4.799 -10.127 1.375 1.00 50.11 H new ATOM 0 HB2 CYS A 81 -3.739 -7.700 2.855 1.00 42.41 H new ATOM 0 HB3 CYS A 81 -4.618 -7.731 1.339 1.00 42.41 H new ATOM 0 HG CYS A 81 -6.340 -6.718 3.332 1.00 31.23 H new ATOM 1314 N HIS A 82 -2.571 -9.997 0.286 1.00 10.54 N ATOM 1315 CA HIS A 82 -1.258 -10.099 -0.340 1.00 61.23 C ATOM 1316 C HIS A 82 -0.607 -8.725 -0.467 1.00 33.04 C ATOM 1317 O HIS A 82 -1.233 -7.772 -0.932 1.00 12.14 O ATOM 1318 CB HIS A 82 -1.377 -10.749 -1.719 1.00 51.34 C ATOM 1319 CG HIS A 82 -0.068 -11.216 -2.277 1.00 3.15 C ATOM 1320 ND1 HIS A 82 0.818 -11.995 -1.563 1.00 65.33 N ATOM 1321 CD2 HIS A 82 0.503 -11.011 -3.487 1.00 22.04 C ATOM 1322 CE1 HIS A 82 1.879 -12.248 -2.310 1.00 34.11 C ATOM 1323 NE2 HIS A 82 1.712 -11.662 -3.482 1.00 70.51 N ATOM 0 H HIS A 82 -3.355 -10.126 -0.354 1.00 10.54 H new ATOM 0 HA HIS A 82 -0.628 -10.722 0.295 1.00 61.23 H new ATOM 0 HB2 HIS A 82 -2.058 -11.598 -1.654 1.00 51.34 H new ATOM 0 HB3 HIS A 82 -1.823 -10.035 -2.411 1.00 51.34 H new ATOM 0 HD2 HIS A 82 0.085 -10.441 -4.304 1.00 22.04 H new ATOM 0 HE1 HIS A 82 2.736 -12.834 -2.013 1.00 34.11 H new ATOM 0 HE2 HIS A 82 2.374 -11.689 -4.258 1.00 70.51 H new ATOM 1331 N ILE A 83 0.651 -8.631 -0.049 1.00 53.23 N ATOM 1332 CA ILE A 83 1.385 -7.374 -0.116 1.00 41.54 C ATOM 1333 C ILE A 83 2.519 -7.453 -1.133 1.00 1.22 C ATOM 1334 O ILE A 83 3.138 -8.502 -1.306 1.00 33.31 O ATOM 1335 CB ILE A 83 1.967 -6.988 1.256 1.00 2.43 C ATOM 1336 CG1 ILE A 83 0.998 -7.379 2.374 1.00 51.43 C ATOM 1337 CG2 ILE A 83 2.266 -5.497 1.305 1.00 43.34 C ATOM 1338 CD1 ILE A 83 1.465 -6.963 3.751 1.00 33.03 C ATOM 0 H ILE A 83 1.183 -9.410 0.339 1.00 53.23 H new ATOM 0 HA ILE A 83 0.673 -6.609 -0.428 1.00 41.54 H new ATOM 0 HB ILE A 83 2.901 -7.531 1.403 1.00 2.43 H new ATOM 0 HG12 ILE A 83 0.026 -6.926 2.177 1.00 51.43 H new ATOM 0 HG13 ILE A 83 0.855 -8.459 2.359 1.00 51.43 H new ATOM 0 HG21 ILE A 83 2.677 -5.240 2.281 1.00 43.34 H new ATOM 0 HG22 ILE A 83 2.989 -5.245 0.529 1.00 43.34 H new ATOM 0 HG23 ILE A 83 1.346 -4.936 1.139 1.00 43.34 H new ATOM 0 HD11 ILE A 83 0.729 -7.272 4.494 1.00 33.03 H new ATOM 0 HD12 ILE A 83 2.422 -7.437 3.969 1.00 33.03 H new ATOM 0 HD13 ILE A 83 1.580 -5.880 3.784 1.00 33.03 H new ATOM 1350 N GLU A 84 2.787 -6.335 -1.801 1.00 72.21 N ATOM 1351 CA GLU A 84 3.848 -6.279 -2.800 1.00 12.32 C ATOM 1352 C GLU A 84 4.462 -4.883 -2.863 1.00 31.21 C ATOM 1353 O GLU A 84 3.890 -3.917 -2.357 1.00 24.10 O ATOM 1354 CB GLU A 84 3.305 -6.672 -4.175 1.00 41.34 C ATOM 1355 CG GLU A 84 3.971 -7.905 -4.763 1.00 11.22 C ATOM 1356 CD GLU A 84 4.135 -7.818 -6.268 1.00 32.32 C ATOM 1357 OE1 GLU A 84 3.448 -6.984 -6.893 1.00 75.21 O ATOM 1358 OE2 GLU A 84 4.951 -8.585 -6.820 1.00 63.30 O ATOM 0 H GLU A 84 2.285 -5.457 -1.669 1.00 72.21 H new ATOM 0 HA GLU A 84 4.625 -6.986 -2.509 1.00 12.32 H new ATOM 0 HB2 GLU A 84 2.233 -6.852 -4.095 1.00 41.34 H new ATOM 0 HB3 GLU A 84 3.438 -5.836 -4.861 1.00 41.34 H new ATOM 0 HG2 GLU A 84 4.949 -8.040 -4.302 1.00 11.22 H new ATOM 0 HG3 GLU A 84 3.378 -8.786 -4.516 1.00 11.22 H new ATOM 1365 N LYS A 85 5.631 -4.785 -3.487 1.00 74.34 N ATOM 1366 CA LYS A 85 6.324 -3.509 -3.619 1.00 20.44 C ATOM 1367 C LYS A 85 5.794 -2.722 -4.813 1.00 31.33 C ATOM 1368 O LYS A 85 5.651 -3.262 -5.909 1.00 53.24 O ATOM 1369 CB LYS A 85 7.830 -3.737 -3.772 1.00 75.11 C ATOM 1370 CG LYS A 85 8.199 -4.554 -4.998 1.00 42.12 C ATOM 1371 CD LYS A 85 9.673 -4.922 -4.999 1.00 63.40 C ATOM 1372 CE LYS A 85 9.874 -6.419 -5.186 1.00 53.52 C ATOM 1373 NZ LYS A 85 11.315 -6.776 -5.293 1.00 44.11 N ATOM 0 H LYS A 85 6.119 -5.575 -3.910 1.00 74.34 H new ATOM 0 HA LYS A 85 6.140 -2.929 -2.715 1.00 20.44 H new ATOM 0 HB2 LYS A 85 8.332 -2.771 -3.825 1.00 75.11 H new ATOM 0 HB3 LYS A 85 8.205 -4.243 -2.882 1.00 75.11 H new ATOM 0 HG2 LYS A 85 7.596 -5.462 -5.026 1.00 42.12 H new ATOM 0 HG3 LYS A 85 7.964 -3.987 -5.899 1.00 42.12 H new ATOM 0 HD2 LYS A 85 10.183 -4.383 -5.797 1.00 63.40 H new ATOM 0 HD3 LYS A 85 10.128 -4.607 -4.060 1.00 63.40 H new ATOM 0 HE2 LYS A 85 9.429 -6.953 -4.346 1.00 53.52 H new ATOM 0 HE3 LYS A 85 9.351 -6.746 -6.085 1.00 53.52 H new ATOM 0 HZ1 LYS A 85 11.410 -7.804 -5.419 1.00 44.11 H new ATOM 0 HZ2 LYS A 85 11.734 -6.287 -6.109 1.00 44.11 H new ATOM 0 HZ3 LYS A 85 11.810 -6.487 -4.425 1.00 44.11 H new ATOM 1387 N ALA A 86 5.506 -1.444 -4.592 1.00 53.22 N ATOM 1388 CA ALA A 86 4.995 -0.582 -5.651 1.00 61.11 C ATOM 1389 C ALA A 86 6.135 0.069 -6.427 1.00 2.35 C ATOM 1390 O ALA A 86 7.254 0.184 -5.926 1.00 64.34 O ATOM 1391 CB ALA A 86 4.075 0.481 -5.069 1.00 61.11 C ATOM 0 H ALA A 86 5.618 -0.982 -3.689 1.00 53.22 H new ATOM 0 HA ALA A 86 4.425 -1.200 -6.345 1.00 61.11 H new ATOM 0 HB1 ALA A 86 3.701 1.117 -5.871 1.00 61.11 H new ATOM 0 HB2 ALA A 86 3.236 0.000 -4.566 1.00 61.11 H new ATOM 0 HB3 ALA A 86 4.628 1.088 -4.352 1.00 61.11 H new ATOM 1397 N LYS A 87 5.844 0.494 -7.651 1.00 44.53 N ATOM 1398 CA LYS A 87 6.845 1.135 -8.497 1.00 14.31 C ATOM 1399 C LYS A 87 6.194 2.138 -9.444 1.00 42.32 C ATOM 1400 O LYS A 87 5.096 1.909 -9.948 1.00 74.32 O ATOM 1401 CB LYS A 87 7.613 0.083 -9.300 1.00 10.40 C ATOM 1402 CG LYS A 87 6.795 -0.550 -10.412 1.00 32.22 C ATOM 1403 CD LYS A 87 7.632 -1.506 -11.245 1.00 41.01 C ATOM 1404 CE LYS A 87 6.879 -2.793 -11.542 1.00 74.40 C ATOM 1405 NZ LYS A 87 6.988 -3.182 -12.975 1.00 63.33 N ATOM 0 H LYS A 87 4.923 0.406 -8.080 1.00 44.53 H new ATOM 0 HA LYS A 87 7.542 1.670 -7.852 1.00 14.31 H new ATOM 0 HB2 LYS A 87 8.501 0.544 -9.731 1.00 10.40 H new ATOM 0 HB3 LYS A 87 7.957 -0.699 -8.623 1.00 10.40 H new ATOM 0 HG2 LYS A 87 5.949 -1.086 -9.982 1.00 32.22 H new ATOM 0 HG3 LYS A 87 6.386 0.231 -11.054 1.00 32.22 H new ATOM 0 HD2 LYS A 87 7.913 -1.024 -12.181 1.00 41.01 H new ATOM 0 HD3 LYS A 87 8.556 -1.738 -10.716 1.00 41.01 H new ATOM 0 HE2 LYS A 87 7.271 -3.595 -10.917 1.00 74.40 H new ATOM 0 HE3 LYS A 87 5.829 -2.668 -11.279 1.00 74.40 H new ATOM 0 HZ1 LYS A 87 6.461 -4.064 -13.136 1.00 63.33 H new ATOM 0 HZ2 LYS A 87 6.591 -2.428 -13.571 1.00 63.33 H new ATOM 0 HZ3 LYS A 87 7.988 -3.326 -13.220 1.00 63.33 H new ATOM 1419 N GLY A 88 6.881 3.251 -9.683 1.00 42.43 N ATOM 1420 CA GLY A 88 6.355 4.272 -10.571 1.00 32.21 C ATOM 1421 C GLY A 88 6.179 5.609 -9.878 1.00 64.40 C ATOM 1422 O GLY A 88 6.512 5.756 -8.702 1.00 25.25 O ATOM 0 H GLY A 88 7.792 3.464 -9.278 1.00 42.43 H new ATOM 0 HA2 GLY A 88 7.028 4.392 -11.420 1.00 32.21 H new ATOM 0 HA3 GLY A 88 5.395 3.943 -10.969 1.00 32.21 H new ATOM 1426 N THR A 89 5.656 6.588 -10.609 1.00 10.12 N ATOM 1427 CA THR A 89 5.440 7.920 -10.059 1.00 14.33 C ATOM 1428 C THR A 89 4.087 8.014 -9.361 1.00 44.22 C ATOM 1429 O THR A 89 3.292 7.076 -9.400 1.00 73.51 O ATOM 1430 CB THR A 89 5.515 9.000 -11.155 1.00 21.21 C ATOM 1431 OG1 THR A 89 4.343 8.948 -11.975 1.00 75.11 O ATOM 1432 CG2 THR A 89 6.753 8.809 -12.018 1.00 70.32 C ATOM 0 H THR A 89 5.374 6.483 -11.584 1.00 10.12 H new ATOM 0 HA THR A 89 6.234 8.094 -9.333 1.00 14.33 H new ATOM 0 HB THR A 89 5.576 9.975 -10.671 1.00 21.21 H new ATOM 0 HG1 THR A 89 4.398 9.639 -12.668 1.00 75.11 H new ATOM 0 HG21 THR A 89 6.785 9.583 -12.785 1.00 70.32 H new ATOM 0 HG22 THR A 89 7.645 8.878 -11.395 1.00 70.32 H new ATOM 0 HG23 THR A 89 6.718 7.829 -12.493 1.00 70.32 H new ATOM 1440 N ASP A 90 3.833 9.152 -8.724 1.00 63.04 N ATOM 1441 CA ASP A 90 2.575 9.369 -8.019 1.00 45.12 C ATOM 1442 C ASP A 90 1.386 9.130 -8.944 1.00 31.22 C ATOM 1443 O ASP A 90 0.378 8.553 -8.536 1.00 50.13 O ATOM 1444 CB ASP A 90 2.521 10.790 -7.455 1.00 21.40 C ATOM 1445 CG ASP A 90 2.411 11.841 -8.542 1.00 73.40 C ATOM 1446 OD1 ASP A 90 3.254 11.832 -9.464 1.00 13.23 O ATOM 1447 OD2 ASP A 90 1.481 12.671 -8.472 1.00 32.23 O ATOM 0 H ASP A 90 4.481 9.938 -8.681 1.00 63.04 H new ATOM 0 HA ASP A 90 2.520 8.657 -7.195 1.00 45.12 H new ATOM 0 HB2 ASP A 90 1.669 10.878 -6.781 1.00 21.40 H new ATOM 0 HB3 ASP A 90 3.417 10.977 -6.862 1.00 21.40 H new ATOM 1452 N GLN A 91 1.511 9.578 -10.189 1.00 30.22 N ATOM 1453 CA GLN A 91 0.445 9.414 -11.170 1.00 31.40 C ATOM 1454 C GLN A 91 0.284 7.948 -11.559 1.00 22.21 C ATOM 1455 O GLN A 91 -0.828 7.477 -11.794 1.00 15.41 O ATOM 1456 CB GLN A 91 0.734 10.255 -12.414 1.00 63.03 C ATOM 1457 CG GLN A 91 -0.432 11.132 -12.840 1.00 42.31 C ATOM 1458 CD GLN A 91 -0.669 12.290 -11.890 1.00 64.22 C ATOM 1459 OE1 GLN A 91 0.275 12.936 -11.433 1.00 72.20 O ATOM 1460 NE2 GLN A 91 -1.933 12.559 -11.588 1.00 34.32 N ATOM 0 H GLN A 91 2.339 10.057 -10.542 1.00 30.22 H new ATOM 0 HA GLN A 91 -0.486 9.755 -10.718 1.00 31.40 H new ATOM 0 HB2 GLN A 91 1.601 10.886 -12.222 1.00 63.03 H new ATOM 0 HB3 GLN A 91 0.999 9.592 -13.237 1.00 63.03 H new ATOM 0 HG2 GLN A 91 -0.243 11.521 -13.841 1.00 42.31 H new ATOM 0 HG3 GLN A 91 -1.335 10.525 -12.900 1.00 42.31 H new ATOM 0 HE21 GLN A 91 -2.684 11.998 -11.990 1.00 34.32 H new ATOM 0 HE22 GLN A 91 -2.154 13.327 -10.954 1.00 34.32 H new ATOM 1469 N GLN A 92 1.402 7.232 -11.625 1.00 42.10 N ATOM 1470 CA GLN A 92 1.384 5.820 -11.987 1.00 22.32 C ATOM 1471 C GLN A 92 0.659 4.996 -10.928 1.00 73.22 C ATOM 1472 O GLN A 92 -0.106 4.088 -11.251 1.00 70.10 O ATOM 1473 CB GLN A 92 2.811 5.299 -12.166 1.00 5.24 C ATOM 1474 CG GLN A 92 3.259 5.236 -13.617 1.00 74.31 C ATOM 1475 CD GLN A 92 4.001 3.955 -13.944 1.00 3.14 C ATOM 1476 OE1 GLN A 92 3.390 2.918 -14.204 1.00 51.53 O ATOM 1477 NE2 GLN A 92 5.328 4.020 -13.931 1.00 75.02 N ATOM 0 H GLN A 92 2.331 7.607 -11.433 1.00 42.10 H new ATOM 0 HA GLN A 92 0.847 5.720 -12.930 1.00 22.32 H new ATOM 0 HB2 GLN A 92 3.495 5.941 -11.611 1.00 5.24 H new ATOM 0 HB3 GLN A 92 2.883 4.303 -11.729 1.00 5.24 H new ATOM 0 HG2 GLN A 92 2.388 5.322 -14.266 1.00 74.31 H new ATOM 0 HG3 GLN A 92 3.903 6.089 -13.832 1.00 74.31 H new ATOM 0 HE21 GLN A 92 5.793 4.900 -13.710 1.00 75.02 H new ATOM 0 HE22 GLN A 92 5.881 3.190 -14.142 1.00 75.02 H new ATOM 1486 N ASN A 93 0.905 5.319 -9.663 1.00 33.04 N ATOM 1487 CA ASN A 93 0.275 4.608 -8.556 1.00 22.40 C ATOM 1488 C ASN A 93 -1.171 5.056 -8.373 1.00 55.55 C ATOM 1489 O ASN A 93 -2.071 4.234 -8.197 1.00 40.44 O ATOM 1490 CB ASN A 93 1.059 4.838 -7.263 1.00 24.15 C ATOM 1491 CG ASN A 93 2.319 3.997 -7.193 1.00 24.02 C ATOM 1492 OD1 ASN A 93 2.616 3.388 -6.165 1.00 25.10 O ATOM 1493 ND2 ASN A 93 3.067 3.960 -8.289 1.00 45.34 N ATOM 0 H ASN A 93 1.536 6.068 -9.379 1.00 33.04 H new ATOM 0 HA ASN A 93 0.279 3.544 -8.792 1.00 22.40 H new ATOM 0 HB2 ASN A 93 1.324 5.892 -7.185 1.00 24.15 H new ATOM 0 HB3 ASN A 93 0.422 4.606 -6.409 1.00 24.15 H new ATOM 0 HD21 ASN A 93 3.927 3.411 -8.302 1.00 45.34 H new ATOM 0 HD22 ASN A 93 2.782 4.481 -9.119 1.00 45.34 H new ATOM 1500 N LYS A 94 -1.389 6.367 -8.417 1.00 63.44 N ATOM 1501 CA LYS A 94 -2.726 6.927 -8.259 1.00 65.31 C ATOM 1502 C LYS A 94 -3.652 6.446 -9.371 1.00 72.51 C ATOM 1503 O LYS A 94 -4.809 6.107 -9.123 1.00 62.45 O ATOM 1504 CB LYS A 94 -2.663 8.456 -8.259 1.00 34.25 C ATOM 1505 CG LYS A 94 -4.008 9.119 -8.013 1.00 44.11 C ATOM 1506 CD LYS A 94 -3.917 10.630 -8.150 1.00 32.33 C ATOM 1507 CE LYS A 94 -5.030 11.326 -7.382 1.00 1.34 C ATOM 1508 NZ LYS A 94 -6.291 11.395 -8.171 1.00 65.34 N ATOM 0 H LYS A 94 -0.656 7.061 -8.561 1.00 63.44 H new ATOM 0 HA LYS A 94 -3.126 6.585 -7.304 1.00 65.31 H new ATOM 0 HB2 LYS A 94 -1.960 8.783 -7.492 1.00 34.25 H new ATOM 0 HB3 LYS A 94 -2.270 8.795 -9.217 1.00 34.25 H new ATOM 0 HG2 LYS A 94 -4.741 8.732 -8.721 1.00 44.11 H new ATOM 0 HG3 LYS A 94 -4.364 8.864 -7.015 1.00 44.11 H new ATOM 0 HD2 LYS A 94 -2.950 10.972 -7.782 1.00 32.33 H new ATOM 0 HD3 LYS A 94 -3.973 10.905 -9.203 1.00 32.33 H new ATOM 0 HE2 LYS A 94 -5.215 10.794 -6.449 1.00 1.34 H new ATOM 0 HE3 LYS A 94 -4.712 12.334 -7.117 1.00 1.34 H new ATOM 0 HZ1 LYS A 94 -7.024 11.876 -7.612 1.00 65.34 H new ATOM 0 HZ2 LYS A 94 -6.122 11.925 -9.050 1.00 65.34 H new ATOM 0 HZ3 LYS A 94 -6.609 10.432 -8.403 1.00 65.34 H new ATOM 1522 N GLU A 95 -3.135 6.417 -10.596 1.00 12.45 N ATOM 1523 CA GLU A 95 -3.918 5.977 -11.744 1.00 64.44 C ATOM 1524 C GLU A 95 -4.159 4.471 -11.693 1.00 22.31 C ATOM 1525 O GLU A 95 -5.222 3.988 -12.084 1.00 65.52 O ATOM 1526 CB GLU A 95 -3.205 6.346 -13.047 1.00 23.21 C ATOM 1527 CG GLU A 95 -3.241 7.832 -13.361 1.00 14.12 C ATOM 1528 CD GLU A 95 -2.303 8.214 -14.489 1.00 25.53 C ATOM 1529 OE1 GLU A 95 -1.300 7.498 -14.695 1.00 33.20 O ATOM 1530 OE2 GLU A 95 -2.571 9.228 -15.166 1.00 2.35 O ATOM 0 H GLU A 95 -2.178 6.693 -10.818 1.00 12.45 H new ATOM 0 HA GLU A 95 -4.882 6.484 -11.709 1.00 64.44 H new ATOM 0 HB2 GLU A 95 -2.166 6.021 -12.988 1.00 23.21 H new ATOM 0 HB3 GLU A 95 -3.664 5.798 -13.870 1.00 23.21 H new ATOM 0 HG2 GLU A 95 -4.258 8.118 -13.627 1.00 14.12 H new ATOM 0 HG3 GLU A 95 -2.975 8.395 -12.466 1.00 14.12 H new ATOM 1537 N TYR A 96 -3.165 3.735 -11.208 1.00 62.24 N ATOM 1538 CA TYR A 96 -3.267 2.284 -11.108 1.00 64.32 C ATOM 1539 C TYR A 96 -4.481 1.879 -10.278 1.00 22.21 C ATOM 1540 O TYR A 96 -5.268 1.024 -10.685 1.00 71.41 O ATOM 1541 CB TYR A 96 -1.994 1.704 -10.488 1.00 34.20 C ATOM 1542 CG TYR A 96 -1.959 0.192 -10.480 1.00 14.24 C ATOM 1543 CD1 TYR A 96 -1.621 -0.521 -11.623 1.00 20.12 C ATOM 1544 CD2 TYR A 96 -2.264 -0.523 -9.328 1.00 11.33 C ATOM 1545 CE1 TYR A 96 -1.589 -1.902 -11.620 1.00 23.13 C ATOM 1546 CE2 TYR A 96 -2.233 -1.904 -9.315 1.00 1.21 C ATOM 1547 CZ TYR A 96 -1.895 -2.589 -10.463 1.00 51.15 C ATOM 1548 OH TYR A 96 -1.863 -3.965 -10.456 1.00 4.51 O ATOM 0 H TYR A 96 -2.280 4.119 -10.878 1.00 62.24 H new ATOM 0 HA TYR A 96 -3.388 1.883 -12.114 1.00 64.32 H new ATOM 0 HB2 TYR A 96 -1.130 2.076 -11.038 1.00 34.20 H new ATOM 0 HB3 TYR A 96 -1.901 2.067 -9.464 1.00 34.20 H new ATOM 0 HD1 TYR A 96 -1.379 0.013 -12.530 1.00 20.12 H new ATOM 0 HD2 TYR A 96 -2.530 0.010 -8.427 1.00 11.33 H new ATOM 0 HE1 TYR A 96 -1.326 -2.441 -12.518 1.00 23.13 H new ATOM 0 HE2 TYR A 96 -2.472 -2.444 -8.411 1.00 1.21 H new ATOM 0 HH TYR A 96 -2.103 -4.293 -9.564 1.00 4.51 H new ATOM 1558 N CYS A 97 -4.626 2.500 -9.113 1.00 22.44 N ATOM 1559 CA CYS A 97 -5.744 2.205 -8.223 1.00 62.12 C ATOM 1560 C CYS A 97 -7.061 2.677 -8.831 1.00 22.51 C ATOM 1561 O CYS A 97 -8.102 2.047 -8.645 1.00 53.04 O ATOM 1562 CB CYS A 97 -5.529 2.869 -6.863 1.00 0.53 C ATOM 1563 SG CYS A 97 -3.939 2.481 -6.094 1.00 40.13 S ATOM 0 H CYS A 97 -3.984 3.211 -8.762 1.00 22.44 H new ATOM 0 HA CYS A 97 -5.794 1.125 -8.087 1.00 62.12 H new ATOM 0 HB2 CYS A 97 -5.609 3.950 -6.982 1.00 0.53 H new ATOM 0 HB3 CYS A 97 -6.330 2.562 -6.190 1.00 0.53 H new ATOM 0 HG CYS A 97 -2.986 3.085 -6.739 1.00 40.13 H new ATOM 1569 N SER A 98 -7.007 3.789 -9.556 1.00 52.21 N ATOM 1570 CA SER A 98 -8.197 4.349 -10.187 1.00 20.23 C ATOM 1571 C SER A 98 -8.581 3.549 -11.428 1.00 44.53 C ATOM 1572 O SER A 98 -9.690 3.679 -11.947 1.00 4.40 O ATOM 1573 CB SER A 98 -7.960 5.813 -10.562 1.00 34.02 C ATOM 1574 OG SER A 98 -7.162 5.918 -11.728 1.00 1.12 O ATOM 0 H SER A 98 -6.152 4.320 -9.721 1.00 52.21 H new ATOM 0 HA SER A 98 -9.018 4.293 -9.472 1.00 20.23 H new ATOM 0 HB2 SER A 98 -8.917 6.309 -10.726 1.00 34.02 H new ATOM 0 HB3 SER A 98 -7.471 6.329 -9.735 1.00 34.02 H new ATOM 0 HG SER A 98 -6.555 5.150 -11.779 1.00 1.12 H new ATOM 1580 N LYS A 99 -7.655 2.722 -11.901 1.00 21.45 N ATOM 1581 CA LYS A 99 -7.894 1.899 -13.080 1.00 63.24 C ATOM 1582 C LYS A 99 -9.077 0.962 -12.860 1.00 11.00 C ATOM 1583 O LYS A 99 -9.672 0.465 -13.815 1.00 71.43 O ATOM 1584 CB LYS A 99 -6.643 1.086 -13.422 1.00 60.13 C ATOM 1585 CG LYS A 99 -6.796 0.229 -14.667 1.00 43.43 C ATOM 1586 CD LYS A 99 -5.576 -0.648 -14.893 1.00 72.34 C ATOM 1587 CE LYS A 99 -5.390 -1.647 -13.761 1.00 54.31 C ATOM 1588 NZ LYS A 99 -5.168 -3.028 -14.271 1.00 33.33 N ATOM 0 H LYS A 99 -6.731 2.604 -11.485 1.00 21.45 H new ATOM 0 HA LYS A 99 -8.129 2.562 -13.913 1.00 63.24 H new ATOM 0 HB2 LYS A 99 -5.804 1.768 -13.561 1.00 60.13 H new ATOM 0 HB3 LYS A 99 -6.395 0.444 -12.577 1.00 60.13 H new ATOM 0 HG2 LYS A 99 -7.683 -0.397 -14.572 1.00 43.43 H new ATOM 0 HG3 LYS A 99 -6.950 0.870 -15.535 1.00 43.43 H new ATOM 0 HD2 LYS A 99 -5.680 -1.182 -15.837 1.00 72.34 H new ATOM 0 HD3 LYS A 99 -4.687 -0.022 -14.977 1.00 72.34 H new ATOM 0 HE2 LYS A 99 -4.541 -1.346 -13.147 1.00 54.31 H new ATOM 0 HE3 LYS A 99 -6.270 -1.635 -13.117 1.00 54.31 H new ATOM 0 HZ1 LYS A 99 -5.046 -3.679 -13.469 1.00 33.33 H new ATOM 0 HZ2 LYS A 99 -5.989 -3.325 -14.836 1.00 33.33 H new ATOM 0 HZ3 LYS A 99 -4.314 -3.046 -14.865 1.00 33.33 H new ATOM 1602 N GLU A 100 -9.413 0.728 -11.595 1.00 72.33 N ATOM 1603 CA GLU A 100 -10.526 -0.149 -11.251 1.00 74.13 C ATOM 1604 C GLU A 100 -11.862 0.515 -11.573 1.00 41.52 C ATOM 1605 O GLU A 100 -12.914 -0.119 -11.511 1.00 52.14 O ATOM 1606 CB GLU A 100 -10.473 -0.520 -9.768 1.00 12.43 C ATOM 1607 CG GLU A 100 -9.085 -0.907 -9.287 1.00 31.44 C ATOM 1608 CD GLU A 100 -8.529 -2.112 -10.020 1.00 61.42 C ATOM 1609 OE1 GLU A 100 -8.251 -1.994 -11.232 1.00 11.03 O ATOM 1610 OE2 GLU A 100 -8.371 -3.174 -9.382 1.00 34.14 O ATOM 0 H GLU A 100 -8.931 1.133 -10.793 1.00 72.33 H new ATOM 0 HA GLU A 100 -10.438 -1.056 -11.848 1.00 74.13 H new ATOM 0 HB2 GLU A 100 -10.831 0.324 -9.178 1.00 12.43 H new ATOM 0 HB3 GLU A 100 -11.156 -1.349 -9.585 1.00 12.43 H new ATOM 0 HG2 GLU A 100 -8.410 -0.062 -9.420 1.00 31.44 H new ATOM 0 HG3 GLU A 100 -9.121 -1.121 -8.219 1.00 31.44 H new ATOM 1617 N GLY A 101 -11.810 1.799 -11.917 1.00 31.02 N ATOM 1618 CA GLY A 101 -13.021 2.529 -12.243 1.00 13.14 C ATOM 1619 C GLY A 101 -13.557 3.318 -11.065 1.00 12.24 C ATOM 1620 O GLY A 101 -14.086 4.416 -11.234 1.00 32.15 O ATOM 0 H GLY A 101 -10.951 2.346 -11.976 1.00 31.02 H new ATOM 0 HA2 GLY A 101 -12.820 3.209 -13.071 1.00 13.14 H new ATOM 0 HA3 GLY A 101 -13.783 1.828 -12.584 1.00 13.14 H new ATOM 1624 N ASN A 102 -13.422 2.757 -9.867 1.00 64.15 N ATOM 1625 CA ASN A 102 -13.899 3.415 -8.656 1.00 64.34 C ATOM 1626 C ASN A 102 -12.850 3.346 -7.551 1.00 23.33 C ATOM 1627 O ASN A 102 -11.997 2.457 -7.543 1.00 72.40 O ATOM 1628 CB ASN A 102 -15.201 2.769 -8.180 1.00 14.41 C ATOM 1629 CG ASN A 102 -14.959 1.605 -7.238 1.00 55.44 C ATOM 1630 OD1 ASN A 102 -14.891 0.452 -7.664 1.00 43.31 O ATOM 1631 ND2 ASN A 102 -14.829 1.903 -5.951 1.00 14.31 N ATOM 0 H ASN A 102 -12.986 1.848 -9.709 1.00 64.15 H new ATOM 0 HA ASN A 102 -14.086 4.463 -8.890 1.00 64.34 H new ATOM 0 HB2 ASN A 102 -15.813 3.518 -7.677 1.00 14.41 H new ATOM 0 HB3 ASN A 102 -15.768 2.422 -9.044 1.00 14.41 H new ATOM 0 HD21 ASN A 102 -14.665 1.162 -5.270 1.00 14.31 H new ATOM 0 HD22 ASN A 102 -14.893 2.873 -5.643 1.00 14.31 H new ATOM 1638 N LEU A 103 -12.919 4.289 -6.618 1.00 5.10 N ATOM 1639 CA LEU A 103 -11.975 4.336 -5.506 1.00 35.20 C ATOM 1640 C LEU A 103 -12.653 3.934 -4.200 1.00 13.21 C ATOM 1641 O LEU A 103 -13.755 4.392 -3.893 1.00 3.50 O ATOM 1642 CB LEU A 103 -11.381 5.739 -5.375 1.00 24.14 C ATOM 1643 CG LEU A 103 -10.842 6.363 -6.662 1.00 62.25 C ATOM 1644 CD1 LEU A 103 -10.246 7.734 -6.383 1.00 22.32 C ATOM 1645 CD2 LEU A 103 -9.807 5.450 -7.305 1.00 11.42 C ATOM 0 H LEU A 103 -13.618 5.031 -6.609 1.00 5.10 H new ATOM 0 HA LEU A 103 -11.173 3.627 -5.711 1.00 35.20 H new ATOM 0 HB2 LEU A 103 -12.147 6.399 -4.968 1.00 24.14 H new ATOM 0 HB3 LEU A 103 -10.571 5.702 -4.646 1.00 24.14 H new ATOM 0 HG LEU A 103 -11.672 6.486 -7.358 1.00 62.25 H new ATOM 0 HD11 LEU A 103 -9.868 8.162 -7.311 1.00 22.32 H new ATOM 0 HD12 LEU A 103 -11.014 8.387 -5.969 1.00 22.32 H new ATOM 0 HD13 LEU A 103 -9.428 7.637 -5.669 1.00 22.32 H new ATOM 0 HD21 LEU A 103 -9.434 5.910 -8.220 1.00 11.42 H new ATOM 0 HD22 LEU A 103 -8.979 5.295 -6.613 1.00 11.42 H new ATOM 0 HD23 LEU A 103 -10.266 4.490 -7.543 1.00 11.42 H new ATOM 1657 N LEU A 104 -11.988 3.077 -3.433 1.00 41.43 N ATOM 1658 CA LEU A 104 -12.525 2.615 -2.158 1.00 3.31 C ATOM 1659 C LEU A 104 -12.154 3.575 -1.031 1.00 72.45 C ATOM 1660 O LEU A 104 -12.792 3.588 0.021 1.00 55.14 O ATOM 1661 CB LEU A 104 -12.003 1.213 -1.841 1.00 33.42 C ATOM 1662 CG LEU A 104 -12.577 0.551 -0.587 1.00 64.12 C ATOM 1663 CD1 LEU A 104 -13.999 0.074 -0.838 1.00 42.30 C ATOM 1664 CD2 LEU A 104 -11.694 -0.607 -0.144 1.00 73.24 C ATOM 0 H LEU A 104 -11.076 2.688 -3.672 1.00 41.43 H new ATOM 0 HA LEU A 104 -13.611 2.582 -2.240 1.00 3.31 H new ATOM 0 HB2 LEU A 104 -12.210 0.568 -2.695 1.00 33.42 H new ATOM 0 HB3 LEU A 104 -10.919 1.265 -1.736 1.00 33.42 H new ATOM 0 HG LEU A 104 -12.600 1.291 0.213 1.00 64.12 H new ATOM 0 HD11 LEU A 104 -14.390 -0.394 0.065 1.00 42.30 H new ATOM 0 HD12 LEU A 104 -14.626 0.924 -1.107 1.00 42.30 H new ATOM 0 HD13 LEU A 104 -14.001 -0.650 -1.652 1.00 42.30 H new ATOM 0 HD21 LEU A 104 -12.117 -1.066 0.749 1.00 73.24 H new ATOM 0 HD22 LEU A 104 -11.638 -1.348 -0.941 1.00 73.24 H new ATOM 0 HD23 LEU A 104 -10.693 -0.237 0.078 1.00 73.24 H new ATOM 1676 N MET A 105 -11.120 4.377 -1.261 1.00 0.21 N ATOM 1677 CA MET A 105 -10.667 5.343 -0.266 1.00 60.42 C ATOM 1678 C MET A 105 -9.711 6.355 -0.888 1.00 5.33 C ATOM 1679 O MET A 105 -8.823 5.991 -1.658 1.00 4.51 O ATOM 1680 CB MET A 105 -9.982 4.624 0.898 1.00 42.21 C ATOM 1681 CG MET A 105 -9.016 5.506 1.673 1.00 52.34 C ATOM 1682 SD MET A 105 -8.972 5.111 3.431 1.00 35.12 S ATOM 1683 CE MET A 105 -7.515 4.072 3.509 1.00 53.24 C ATOM 0 H MET A 105 -10.580 4.378 -2.126 1.00 0.21 H new ATOM 0 HA MET A 105 -11.539 5.878 0.110 1.00 60.42 H new ATOM 0 HB2 MET A 105 -10.744 4.247 1.580 1.00 42.21 H new ATOM 0 HB3 MET A 105 -9.442 3.759 0.513 1.00 42.21 H new ATOM 0 HG2 MET A 105 -8.015 5.397 1.255 1.00 52.34 H new ATOM 0 HG3 MET A 105 -9.302 6.550 1.546 1.00 52.34 H new ATOM 0 HE1 MET A 105 -7.158 4.023 4.538 1.00 53.24 H new ATOM 0 HE2 MET A 105 -7.764 3.069 3.163 1.00 53.24 H new ATOM 0 HE3 MET A 105 -6.735 4.491 2.874 1.00 53.24 H new ATOM 1693 N GLU A 106 -9.899 7.627 -0.548 1.00 21.32 N ATOM 1694 CA GLU A 106 -9.053 8.691 -1.074 1.00 64.15 C ATOM 1695 C GLU A 106 -8.506 9.560 0.054 1.00 0.33 C ATOM 1696 O GLU A 106 -9.232 10.365 0.639 1.00 3.50 O ATOM 1697 CB GLU A 106 -9.838 9.555 -2.064 1.00 24.32 C ATOM 1698 CG GLU A 106 -8.957 10.300 -3.053 1.00 73.32 C ATOM 1699 CD GLU A 106 -9.506 11.669 -3.406 1.00 64.31 C ATOM 1700 OE1 GLU A 106 -10.663 11.744 -3.869 1.00 21.32 O ATOM 1701 OE2 GLU A 106 -8.776 12.665 -3.219 1.00 55.30 O ATOM 0 H GLU A 106 -10.629 7.945 0.089 1.00 21.32 H new ATOM 0 HA GLU A 106 -8.213 8.229 -1.593 1.00 64.15 H new ATOM 0 HB2 GLU A 106 -10.533 8.921 -2.615 1.00 24.32 H new ATOM 0 HB3 GLU A 106 -10.437 10.277 -1.508 1.00 24.32 H new ATOM 0 HG2 GLU A 106 -7.958 10.411 -2.632 1.00 73.32 H new ATOM 0 HG3 GLU A 106 -8.856 9.707 -3.962 1.00 73.32 H new ATOM 1708 N CYS A 107 -7.223 9.391 0.355 1.00 13.11 N ATOM 1709 CA CYS A 107 -6.579 10.159 1.415 1.00 64.23 C ATOM 1710 C CYS A 107 -5.092 10.342 1.126 1.00 31.43 C ATOM 1711 O CYS A 107 -4.571 9.817 0.143 1.00 0.20 O ATOM 1712 CB CYS A 107 -6.767 9.463 2.764 1.00 51.43 C ATOM 1713 SG CYS A 107 -8.359 9.801 3.552 1.00 2.12 S ATOM 0 H CYS A 107 -6.609 8.729 -0.120 1.00 13.11 H new ATOM 0 HA CYS A 107 -7.047 11.143 1.454 1.00 64.23 H new ATOM 0 HB2 CYS A 107 -6.664 8.387 2.623 1.00 51.43 H new ATOM 0 HB3 CYS A 107 -5.967 9.774 3.436 1.00 51.43 H new ATOM 0 HG CYS A 107 -9.223 10.160 2.649 1.00 2.12 H new ATOM 1719 N GLY A 108 -4.415 11.091 1.991 1.00 44.13 N ATOM 1720 CA GLY A 108 -2.995 11.332 1.810 1.00 22.33 C ATOM 1721 C GLY A 108 -2.707 12.251 0.640 1.00 4.55 C ATOM 1722 O GLY A 108 -3.627 12.753 -0.004 1.00 43.34 O ATOM 0 H GLY A 108 -4.824 11.535 2.813 1.00 44.13 H new ATOM 0 HA2 GLY A 108 -2.585 11.769 2.721 1.00 22.33 H new ATOM 0 HA3 GLY A 108 -2.485 10.381 1.655 1.00 22.33 H new