USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=22 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 59 GLN :FLIP amide:sc= -4.44! C(o=-5.5!,f=-4.4!) USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.14) USER MOD Single : A 14 HIS : no HE2:sc= -0.528 K(o=-0.53,f=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ 150:sc= -0.173 (180deg=-0.659) USER MOD Single : A 20 THR OG1 : rot 20:sc= 0.224 USER MOD Single : A 22 ASN : amide:sc= -0.264 K(o=-0.26,f=-2.3!) USER MOD Single : A 23 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.42) 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+ -170:sc= 1.07 (180deg=0.893) USER MOD Single : A 38 SER OG : rot 92:sc= 0.0559 USER MOD Single : A 42 TYR OH : rot 30:sc= -0.662 USER MOD Single : A 57 HIS : no HE2:sc= -1.52 X(o=-1.5,f=-1.4) USER MOD Single : A 63 ASN : amide:sc= -1.69 K(o=-1.7,f=-5.1!) 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= -1.62 K(o=-1.6,f=-2.2) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -139:sc= -0.62 (180deg=-2.14!) USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 81 CYS SG : rot 177:sc= -1.19 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 85 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0754) 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= -0.057 K(o=-0.057,f=-0.61) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.314 F(o=-2.8!,f=-0.31) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 76:sc= -0.0254 USER MOD Single : A 98 SER OG : rot -35:sc= 0.0489 USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= -0.114 (180deg=-0.438) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 105 MET CE :methyl 161:sc= -2.11 (180deg=-2.76) USER MOD Single : A 107 CYS SG : rot 31:sc= 0.344 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 15.262 -3.940 1.292 1.00 51.22 N ATOM 148 CA GLN A 12 15.266 -2.877 2.290 1.00 51.43 C ATOM 149 C GLN A 12 13.892 -2.222 2.393 1.00 22.24 C ATOM 150 O GLN A 12 13.079 -2.279 1.470 1.00 4.33 O ATOM 151 CB GLN A 12 16.320 -1.825 1.940 1.00 10.45 C ATOM 152 CG GLN A 12 16.370 -1.481 0.461 1.00 54.15 C ATOM 153 CD GLN A 12 17.457 -2.237 -0.278 1.00 13.31 C ATOM 154 OE1 GLN A 12 18.637 -2.138 0.060 1.00 34.43 O ATOM 155 NE2 GLN A 12 17.064 -2.997 -1.293 1.00 62.32 N ATOM 0 HA GLN A 12 15.511 -3.320 3.255 1.00 51.43 H new ATOM 0 HB2 GLN A 12 16.118 -0.917 2.509 1.00 10.45 H new ATOM 0 HB3 GLN A 12 17.299 -2.186 2.254 1.00 10.45 H new ATOM 0 HG2 GLN A 12 15.405 -1.705 0.007 1.00 54.15 H new ATOM 0 HG3 GLN A 12 16.536 -0.410 0.346 1.00 54.15 H new ATOM 0 HE21 GLN A 12 16.075 -3.049 -1.538 1.00 62.32 H new ATOM 0 HE22 GLN A 12 17.751 -3.529 -1.828 1.00 62.32 H new ATOM 164 N PRO A 13 13.625 -1.586 3.543 1.00 34.05 N ATOM 165 CA PRO A 13 12.349 -0.908 3.795 1.00 23.41 C ATOM 166 C PRO A 13 12.183 0.348 2.948 1.00 44.35 C ATOM 167 O PRO A 13 13.124 1.126 2.782 1.00 14.31 O ATOM 168 CB PRO A 13 12.427 -0.545 5.280 1.00 24.41 C ATOM 169 CG PRO A 13 13.886 -0.459 5.573 1.00 74.52 C ATOM 170 CD PRO A 13 14.547 -1.479 4.687 1.00 54.34 C ATOM 0 HA PRO A 13 11.496 -1.537 3.540 1.00 23.41 H new ATOM 0 HB2 PRO A 13 11.926 0.402 5.483 1.00 24.41 H new ATOM 0 HB3 PRO A 13 11.943 -1.301 5.898 1.00 24.41 H new ATOM 0 HG2 PRO A 13 14.267 0.541 5.368 1.00 74.52 H new ATOM 0 HG3 PRO A 13 14.086 -0.667 6.624 1.00 74.52 H new ATOM 0 HD2 PRO A 13 15.540 -1.156 4.374 1.00 54.34 H new ATOM 0 HD3 PRO A 13 14.668 -2.435 5.196 1.00 54.34 H new ATOM 178 N HIS A 14 10.982 0.542 2.413 1.00 71.54 N ATOM 179 CA HIS A 14 10.693 1.705 1.582 1.00 11.44 C ATOM 180 C HIS A 14 9.493 2.475 2.125 1.00 11.52 C ATOM 181 O HIS A 14 8.882 2.076 3.117 1.00 42.11 O ATOM 182 CB HIS A 14 10.428 1.276 0.139 1.00 35.33 C ATOM 183 CG HIS A 14 11.425 0.289 -0.385 1.00 32.32 C ATOM 184 ND1 HIS A 14 11.081 -0.981 -0.799 1.00 1.12 N ATOM 185 CD2 HIS A 14 12.763 0.392 -0.563 1.00 34.42 C ATOM 186 CE1 HIS A 14 12.165 -1.617 -1.207 1.00 54.10 C ATOM 187 NE2 HIS A 14 13.199 -0.806 -1.075 1.00 14.24 N ATOM 0 H HIS A 14 10.193 -0.092 2.540 1.00 71.54 H new ATOM 0 HA HIS A 14 11.564 2.360 1.603 1.00 11.44 H new ATOM 0 HB2 HIS A 14 9.431 0.841 0.075 1.00 35.33 H new ATOM 0 HB3 HIS A 14 10.432 2.159 -0.500 1.00 35.33 H new ATOM 0 HD1 HIS A 14 10.138 -1.369 -0.791 1.00 1.12 H new ATOM 0 HD2 HIS A 14 13.374 1.255 -0.343 1.00 34.42 H new ATOM 0 HE1 HIS A 14 12.200 -2.628 -1.584 1.00 54.10 H new ATOM 195 N LYS A 15 9.160 3.582 1.469 1.00 3.13 N ATOM 196 CA LYS A 15 8.033 4.409 1.885 1.00 64.13 C ATOM 197 C LYS A 15 6.830 4.185 0.974 1.00 10.54 C ATOM 198 O LYS A 15 5.909 5.001 0.936 1.00 11.52 O ATOM 199 CB LYS A 15 8.427 5.888 1.873 1.00 25.42 C ATOM 200 CG LYS A 15 9.112 6.324 0.590 1.00 43.52 C ATOM 201 CD LYS A 15 10.564 6.702 0.833 1.00 11.30 C ATOM 202 CE LYS A 15 10.988 7.875 -0.038 1.00 61.20 C ATOM 203 NZ LYS A 15 10.205 9.104 0.266 1.00 15.04 N ATOM 0 H LYS A 15 9.655 3.927 0.647 1.00 3.13 H new ATOM 0 HA LYS A 15 7.758 4.121 2.900 1.00 64.13 H new ATOM 0 HB2 LYS A 15 7.534 6.495 2.022 1.00 25.42 H new ATOM 0 HB3 LYS A 15 9.091 6.085 2.715 1.00 25.42 H new ATOM 0 HG2 LYS A 15 9.063 5.518 -0.142 1.00 43.52 H new ATOM 0 HG3 LYS A 15 8.580 7.175 0.164 1.00 43.52 H new ATOM 0 HD2 LYS A 15 10.703 6.958 1.883 1.00 11.30 H new ATOM 0 HD3 LYS A 15 11.204 5.844 0.626 1.00 11.30 H new ATOM 0 HE2 LYS A 15 12.049 8.074 0.113 1.00 61.20 H new ATOM 0 HE3 LYS A 15 10.859 7.613 -1.088 1.00 61.20 H new ATOM 0 HZ1 LYS A 15 10.790 9.943 0.079 1.00 15.04 H new ATOM 0 HZ2 LYS A 15 9.357 9.133 -0.335 1.00 15.04 H new ATOM 0 HZ3 LYS A 15 9.921 9.096 1.266 1.00 15.04 H new ATOM 217 N ARG A 16 6.844 3.075 0.244 1.00 0.13 N ATOM 218 CA ARG A 16 5.754 2.745 -0.665 1.00 75.12 C ATOM 219 C ARG A 16 5.443 1.252 -0.622 1.00 62.54 C ATOM 220 O ARG A 16 6.332 0.418 -0.795 1.00 62.30 O ATOM 221 CB ARG A 16 6.108 3.162 -2.094 1.00 3.24 C ATOM 222 CG ARG A 16 6.398 4.647 -2.240 1.00 51.11 C ATOM 223 CD ARG A 16 6.726 5.011 -3.680 1.00 1.24 C ATOM 224 NE ARG A 16 7.922 4.323 -4.159 1.00 75.14 N ATOM 225 CZ ARG A 16 8.363 4.401 -5.410 1.00 14.31 C ATOM 226 NH1 ARG A 16 7.711 5.134 -6.302 1.00 14.53 N ATOM 227 NH2 ARG A 16 9.459 3.746 -5.770 1.00 75.25 N ATOM 0 H ARG A 16 7.599 2.389 0.264 1.00 0.13 H new ATOM 0 HA ARG A 16 4.868 3.293 -0.343 1.00 75.12 H new ATOM 0 HB2 ARG A 16 6.979 2.596 -2.424 1.00 3.24 H new ATOM 0 HB3 ARG A 16 5.285 2.894 -2.756 1.00 3.24 H new ATOM 0 HG2 ARG A 16 5.535 5.222 -1.906 1.00 51.11 H new ATOM 0 HG3 ARG A 16 7.233 4.921 -1.595 1.00 51.11 H new ATOM 0 HD2 ARG A 16 5.881 4.757 -4.320 1.00 1.24 H new ATOM 0 HD3 ARG A 16 6.872 6.088 -3.757 1.00 1.24 H new ATOM 0 HE ARG A 16 8.447 3.752 -3.497 1.00 75.14 H new ATOM 0 HH11 ARG A 16 6.869 5.640 -6.029 1.00 14.53 H new ATOM 0 HH12 ARG A 16 8.052 5.192 -7.262 1.00 14.53 H new ATOM 0 HH21 ARG A 16 9.964 3.182 -5.086 1.00 75.25 H new ATOM 0 HH22 ARG A 16 9.797 3.806 -6.731 1.00 75.25 H new ATOM 241 N TRP A 17 4.178 0.922 -0.391 1.00 54.30 N ATOM 242 CA TRP A 17 3.750 -0.471 -0.325 1.00 3.31 C ATOM 243 C TRP A 17 2.296 -0.615 -0.759 1.00 71.22 C ATOM 244 O TRP A 17 1.438 0.172 -0.360 1.00 34.10 O ATOM 245 CB TRP A 17 3.928 -1.013 1.094 1.00 21.40 C ATOM 246 CG TRP A 17 5.364 -1.197 1.484 1.00 15.12 C ATOM 247 CD1 TRP A 17 6.149 -0.307 2.160 1.00 63.51 C ATOM 248 CD2 TRP A 17 6.184 -2.340 1.220 1.00 31.33 C ATOM 249 NE1 TRP A 17 7.409 -0.829 2.332 1.00 71.11 N ATOM 250 CE2 TRP A 17 7.456 -2.075 1.765 1.00 35.33 C ATOM 251 CE3 TRP A 17 5.968 -3.563 0.579 1.00 54.33 C ATOM 252 CZ2 TRP A 17 8.504 -2.988 1.686 1.00 50.13 C ATOM 253 CZ3 TRP A 17 7.009 -4.467 0.500 1.00 23.23 C ATOM 254 CH2 TRP A 17 8.264 -4.177 1.052 1.00 42.22 C ATOM 0 H TRP A 17 3.430 1.600 -0.246 1.00 54.30 H new ATOM 0 HA TRP A 17 4.372 -1.049 -1.008 1.00 3.31 H new ATOM 0 HB2 TRP A 17 3.452 -0.330 1.798 1.00 21.40 H new ATOM 0 HB3 TRP A 17 3.411 -1.969 1.178 1.00 21.40 H new ATOM 0 HD1 TRP A 17 5.827 0.663 2.508 1.00 63.51 H new ATOM 0 HE1 TRP A 17 8.184 -0.364 2.805 1.00 71.11 H new ATOM 0 HE3 TRP A 17 5.004 -3.797 0.153 1.00 54.33 H new ATOM 0 HZ2 TRP A 17 9.472 -2.766 2.110 1.00 50.13 H new ATOM 0 HZ3 TRP A 17 6.853 -5.414 0.004 1.00 23.23 H new ATOM 0 HH2 TRP A 17 9.057 -4.906 0.976 1.00 42.22 H new ATOM 265 N VAL A 18 2.025 -1.626 -1.579 1.00 41.21 N ATOM 266 CA VAL A 18 0.673 -1.874 -2.066 1.00 45.24 C ATOM 267 C VAL A 18 0.072 -3.113 -1.412 1.00 41.42 C ATOM 268 O VAL A 18 0.790 -3.948 -0.862 1.00 1.33 O ATOM 269 CB VAL A 18 0.652 -2.053 -3.596 1.00 43.00 C ATOM 270 CG1 VAL A 18 1.184 -0.806 -4.287 1.00 74.52 C ATOM 271 CG2 VAL A 18 1.456 -3.280 -3.999 1.00 40.15 C ATOM 0 H VAL A 18 2.724 -2.286 -1.920 1.00 41.21 H new ATOM 0 HA VAL A 18 0.076 -1.001 -1.801 1.00 45.24 H new ATOM 0 HB VAL A 18 -0.380 -2.202 -3.913 1.00 43.00 H new ATOM 0 HG11 VAL A 18 1.162 -0.951 -5.367 1.00 74.52 H new ATOM 0 HG12 VAL A 18 0.562 0.050 -4.023 1.00 74.52 H new ATOM 0 HG13 VAL A 18 2.210 -0.622 -3.967 1.00 74.52 H new ATOM 0 HG21 VAL A 18 1.431 -3.392 -5.083 1.00 40.15 H new ATOM 0 HG22 VAL A 18 2.489 -3.162 -3.670 1.00 40.15 H new ATOM 0 HG23 VAL A 18 1.026 -4.166 -3.533 1.00 40.15 H new ATOM 281 N PHE A 19 -1.250 -3.226 -1.477 1.00 34.04 N ATOM 282 CA PHE A 19 -1.950 -4.363 -0.890 1.00 24.31 C ATOM 283 C PHE A 19 -3.018 -4.895 -1.841 1.00 45.14 C ATOM 284 O PHE A 19 -3.662 -4.130 -2.560 1.00 61.45 O ATOM 285 CB PHE A 19 -2.590 -3.964 0.441 1.00 24.23 C ATOM 286 CG PHE A 19 -3.482 -2.760 0.340 1.00 5.15 C ATOM 287 CD1 PHE A 19 -2.945 -1.483 0.330 1.00 3.31 C ATOM 288 CD2 PHE A 19 -4.857 -2.905 0.257 1.00 61.24 C ATOM 289 CE1 PHE A 19 -3.763 -0.372 0.237 1.00 24.30 C ATOM 290 CE2 PHE A 19 -5.680 -1.799 0.163 1.00 43.31 C ATOM 291 CZ PHE A 19 -5.132 -0.531 0.154 1.00 10.33 C ATOM 0 H PHE A 19 -1.859 -2.544 -1.930 1.00 34.04 H new ATOM 0 HA PHE A 19 -1.221 -5.153 -0.712 1.00 24.31 H new ATOM 0 HB2 PHE A 19 -3.169 -4.805 0.823 1.00 24.23 H new ATOM 0 HB3 PHE A 19 -1.803 -3.763 1.168 1.00 24.23 H new ATOM 0 HD1 PHE A 19 -1.875 -1.354 0.396 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -5.291 -3.894 0.266 1.00 61.24 H new ATOM 0 HE1 PHE A 19 -3.332 0.618 0.229 1.00 24.30 H new ATOM 0 HE2 PHE A 19 -6.750 -1.926 0.097 1.00 43.31 H new ATOM 0 HZ PHE A 19 -5.774 0.335 0.082 1.00 10.33 H new ATOM 301 N THR A 20 -3.200 -6.212 -1.841 1.00 2.22 N ATOM 302 CA THR A 20 -4.187 -6.847 -2.704 1.00 33.20 C ATOM 303 C THR A 20 -4.739 -8.117 -2.066 1.00 71.03 C ATOM 304 O THR A 20 -3.982 -8.986 -1.632 1.00 5.55 O ATOM 305 CB THR A 20 -3.589 -7.195 -4.080 1.00 73.42 C ATOM 306 OG1 THR A 20 -2.587 -8.208 -3.937 1.00 31.02 O ATOM 307 CG2 THR A 20 -2.983 -5.963 -4.734 1.00 65.20 C ATOM 0 H THR A 20 -2.676 -6.859 -1.252 1.00 2.22 H new ATOM 0 HA THR A 20 -4.997 -6.130 -2.839 1.00 33.20 H new ATOM 0 HB THR A 20 -4.392 -7.567 -4.717 1.00 73.42 H new ATOM 0 HG1 THR A 20 -2.717 -8.679 -3.087 1.00 31.02 H new ATOM 0 HG21 THR A 20 -2.567 -6.234 -5.704 1.00 65.20 H new ATOM 0 HG22 THR A 20 -3.755 -5.206 -4.869 1.00 65.20 H new ATOM 0 HG23 THR A 20 -2.192 -5.566 -4.098 1.00 65.20 H new ATOM 315 N LEU A 21 -6.062 -8.220 -2.014 1.00 35.11 N ATOM 316 CA LEU A 21 -6.717 -9.386 -1.429 1.00 44.34 C ATOM 317 C LEU A 21 -7.931 -9.799 -2.254 1.00 73.11 C ATOM 318 O LEU A 21 -8.715 -8.956 -2.688 1.00 34.13 O ATOM 319 CB LEU A 21 -7.140 -9.089 0.010 1.00 13.02 C ATOM 320 CG LEU A 21 -7.783 -10.248 0.773 1.00 0.11 C ATOM 321 CD1 LEU A 21 -6.754 -10.948 1.647 1.00 43.04 C ATOM 322 CD2 LEU A 21 -8.950 -9.751 1.614 1.00 5.24 C ATOM 0 H LEU A 21 -6.703 -7.511 -2.370 1.00 35.11 H new ATOM 0 HA LEU A 21 -6.004 -10.211 -1.428 1.00 44.34 H new ATOM 0 HB2 LEU A 21 -6.262 -8.758 0.565 1.00 13.02 H new ATOM 0 HB3 LEU A 21 -7.842 -8.255 -0.003 1.00 13.02 H new ATOM 0 HG LEU A 21 -8.164 -10.968 0.048 1.00 0.11 H new ATOM 0 HD11 LEU A 21 -7.230 -11.770 2.182 1.00 43.04 H new ATOM 0 HD12 LEU A 21 -5.951 -11.339 1.022 1.00 43.04 H new ATOM 0 HD13 LEU A 21 -6.342 -10.238 2.364 1.00 43.04 H new ATOM 0 HD21 LEU A 21 -9.395 -10.589 2.150 1.00 5.24 H new ATOM 0 HD22 LEU A 21 -8.593 -9.011 2.330 1.00 5.24 H new ATOM 0 HD23 LEU A 21 -9.699 -9.296 0.965 1.00 5.24 H new ATOM 334 N ASN A 22 -8.081 -11.103 -2.465 1.00 13.31 N ATOM 335 CA ASN A 22 -9.202 -11.628 -3.236 1.00 61.42 C ATOM 336 C ASN A 22 -10.430 -11.817 -2.351 1.00 73.23 C ATOM 337 O ASN A 22 -10.336 -12.350 -1.246 1.00 42.53 O ATOM 338 CB ASN A 22 -8.820 -12.959 -3.888 1.00 42.22 C ATOM 339 CG ASN A 22 -8.872 -14.117 -2.911 1.00 70.52 C ATOM 340 OD1 ASN A 22 -8.343 -14.033 -1.803 1.00 35.55 O ATOM 341 ND2 ASN A 22 -9.511 -15.207 -3.320 1.00 34.31 N ATOM 0 H ASN A 22 -7.441 -11.815 -2.113 1.00 13.31 H new ATOM 0 HA ASN A 22 -9.445 -10.905 -4.015 1.00 61.42 H new ATOM 0 HB2 ASN A 22 -9.494 -13.159 -4.721 1.00 42.22 H new ATOM 0 HB3 ASN A 22 -7.815 -12.882 -4.303 1.00 42.22 H new ATOM 0 HD21 ASN A 22 -9.578 -16.019 -2.707 1.00 34.31 H new ATOM 0 HD22 ASN A 22 -9.935 -15.232 -4.247 1.00 34.31 H new ATOM 348 N ASN A 23 -11.583 -11.377 -2.846 1.00 64.34 N ATOM 349 CA ASN A 23 -12.830 -11.498 -2.101 1.00 54.30 C ATOM 350 C ASN A 23 -12.673 -10.952 -0.685 1.00 21.31 C ATOM 351 O ASN A 23 -12.749 -11.685 0.301 1.00 22.33 O ATOM 352 CB ASN A 23 -13.279 -12.960 -2.050 1.00 2.35 C ATOM 353 CG ASN A 23 -14.619 -13.129 -1.360 1.00 23.51 C ATOM 354 OD1 ASN A 23 -14.689 -13.590 -0.220 1.00 61.24 O ATOM 355 ND2 ASN A 23 -15.690 -12.757 -2.050 1.00 35.02 N ATOM 0 H ASN A 23 -11.679 -10.934 -3.760 1.00 64.34 H new ATOM 0 HA ASN A 23 -13.590 -10.910 -2.616 1.00 54.30 H new ATOM 0 HB2 ASN A 23 -13.344 -13.353 -3.065 1.00 2.35 H new ATOM 0 HB3 ASN A 23 -12.527 -13.550 -1.527 1.00 2.35 H new ATOM 0 HD21 ASN A 23 -16.619 -12.848 -1.638 1.00 35.02 H new ATOM 0 HD22 ASN A 23 -15.584 -12.380 -2.992 1.00 35.02 H new ATOM 362 N PRO A 24 -12.449 -9.634 -0.580 1.00 42.02 N ATOM 363 CA PRO A 24 -12.277 -8.960 0.710 1.00 32.34 C ATOM 364 C PRO A 24 -13.574 -8.903 1.511 1.00 5.22 C ATOM 365 O PRO A 24 -14.662 -8.817 0.943 1.00 51.30 O ATOM 366 CB PRO A 24 -11.828 -7.551 0.318 1.00 53.53 C ATOM 367 CG PRO A 24 -12.372 -7.348 -1.054 1.00 74.24 C ATOM 368 CD PRO A 24 -12.346 -8.699 -1.714 1.00 33.54 C ATOM 0 HA PRO A 24 -11.569 -9.484 1.352 1.00 32.34 H new ATOM 0 HB2 PRO A 24 -12.215 -6.805 1.012 1.00 53.53 H new ATOM 0 HB3 PRO A 24 -10.742 -7.464 0.330 1.00 53.53 H new ATOM 0 HG2 PRO A 24 -13.387 -6.951 -1.017 1.00 74.24 H new ATOM 0 HG3 PRO A 24 -11.769 -6.630 -1.610 1.00 74.24 H new ATOM 0 HD2 PRO A 24 -13.174 -8.821 -2.412 1.00 33.54 H new ATOM 0 HD3 PRO A 24 -11.427 -8.853 -2.279 1.00 33.54 H new ATOM 376 N SER A 25 -13.449 -8.951 2.834 1.00 54.32 N ATOM 377 CA SER A 25 -14.612 -8.907 3.713 1.00 71.42 C ATOM 378 C SER A 25 -14.928 -7.473 4.125 1.00 11.12 C ATOM 379 O SER A 25 -14.064 -6.599 4.080 1.00 44.41 O ATOM 380 CB SER A 25 -14.370 -9.766 4.956 1.00 74.03 C ATOM 381 OG SER A 25 -15.177 -10.931 4.935 1.00 24.22 O ATOM 0 H SER A 25 -12.555 -9.020 3.320 1.00 54.32 H new ATOM 0 HA SER A 25 -15.466 -9.305 3.165 1.00 71.42 H new ATOM 0 HB2 SER A 25 -13.319 -10.049 5.008 1.00 74.03 H new ATOM 0 HB3 SER A 25 -14.588 -9.185 5.852 1.00 74.03 H new ATOM 0 HG SER A 25 -15.003 -11.464 5.739 1.00 24.22 H new ATOM 387 N GLU A 26 -16.174 -7.240 4.527 1.00 23.23 N ATOM 388 CA GLU A 26 -16.605 -5.912 4.947 1.00 4.11 C ATOM 389 C GLU A 26 -15.713 -5.379 6.065 1.00 41.43 C ATOM 390 O GLU A 26 -15.519 -4.170 6.195 1.00 11.24 O ATOM 391 CB GLU A 26 -18.061 -5.948 5.415 1.00 41.00 C ATOM 392 CG GLU A 26 -18.283 -6.807 6.648 1.00 21.42 C ATOM 393 CD GLU A 26 -19.459 -7.753 6.496 1.00 4.14 C ATOM 394 OE1 GLU A 26 -20.447 -7.369 5.836 1.00 44.20 O ATOM 395 OE2 GLU A 26 -19.391 -8.876 7.038 1.00 71.13 O ATOM 0 H GLU A 26 -16.902 -7.953 4.571 1.00 23.23 H new ATOM 0 HA GLU A 26 -16.523 -5.244 4.090 1.00 4.11 H new ATOM 0 HB2 GLU A 26 -18.391 -4.931 5.627 1.00 41.00 H new ATOM 0 HB3 GLU A 26 -18.685 -6.323 4.604 1.00 41.00 H new ATOM 0 HG2 GLU A 26 -17.381 -7.384 6.851 1.00 21.42 H new ATOM 0 HG3 GLU A 26 -18.450 -6.162 7.511 1.00 21.42 H new ATOM 402 N ASP A 27 -15.174 -6.289 6.868 1.00 4.42 N ATOM 403 CA ASP A 27 -14.302 -5.911 7.975 1.00 70.22 C ATOM 404 C ASP A 27 -12.895 -5.596 7.476 1.00 55.15 C ATOM 405 O ASP A 27 -12.254 -4.659 7.950 1.00 53.11 O ATOM 406 CB ASP A 27 -14.248 -7.032 9.015 1.00 52.53 C ATOM 407 CG ASP A 27 -15.541 -7.158 9.797 1.00 61.35 C ATOM 408 OD1 ASP A 27 -16.604 -7.326 9.163 1.00 51.43 O ATOM 409 OD2 ASP A 27 -15.489 -7.091 11.042 1.00 34.12 O ATOM 0 H ASP A 27 -15.325 -7.293 6.774 1.00 4.42 H new ATOM 0 HA ASP A 27 -14.713 -5.014 8.439 1.00 70.22 H new ATOM 0 HB2 ASP A 27 -14.035 -7.977 8.516 1.00 52.53 H new ATOM 0 HB3 ASP A 27 -13.426 -6.844 9.705 1.00 52.53 H new ATOM 414 N GLU A 28 -12.422 -6.386 6.516 1.00 14.44 N ATOM 415 CA GLU A 28 -11.091 -6.191 5.955 1.00 42.20 C ATOM 416 C GLU A 28 -10.979 -4.826 5.282 1.00 45.02 C ATOM 417 O GLU A 28 -10.034 -4.076 5.530 1.00 55.34 O ATOM 418 CB GLU A 28 -10.771 -7.297 4.947 1.00 54.31 C ATOM 419 CG GLU A 28 -9.512 -8.079 5.280 1.00 1.30 C ATOM 420 CD GLU A 28 -8.313 -7.181 5.515 1.00 2.22 C ATOM 421 OE1 GLU A 28 -8.135 -6.215 4.743 1.00 30.32 O ATOM 422 OE2 GLU A 28 -7.553 -7.443 6.470 1.00 25.33 O ATOM 0 H GLU A 28 -12.941 -7.166 6.112 1.00 14.44 H new ATOM 0 HA GLU A 28 -10.370 -6.234 6.772 1.00 42.20 H new ATOM 0 HB2 GLU A 28 -11.614 -7.986 4.897 1.00 54.31 H new ATOM 0 HB3 GLU A 28 -10.662 -6.854 3.957 1.00 54.31 H new ATOM 0 HG2 GLU A 28 -9.689 -8.683 6.170 1.00 1.30 H new ATOM 0 HG3 GLU A 28 -9.291 -8.768 4.465 1.00 1.30 H new ATOM 429 N ARG A 29 -11.948 -4.512 4.429 1.00 52.11 N ATOM 430 CA ARG A 29 -11.958 -3.239 3.718 1.00 1.13 C ATOM 431 C ARG A 29 -12.204 -2.081 4.681 1.00 41.22 C ATOM 432 O ARG A 29 -11.710 -0.972 4.475 1.00 53.15 O ATOM 433 CB ARG A 29 -13.032 -3.247 2.628 1.00 25.15 C ATOM 434 CG ARG A 29 -12.915 -4.419 1.668 1.00 74.40 C ATOM 435 CD ARG A 29 -14.208 -4.639 0.899 1.00 75.45 C ATOM 436 NE ARG A 29 -14.736 -3.394 0.348 1.00 53.02 N ATOM 437 CZ ARG A 29 -15.952 -3.279 -0.175 1.00 11.52 C ATOM 438 NH1 ARG A 29 -16.761 -4.328 -0.217 1.00 15.20 N ATOM 439 NH2 ARG A 29 -16.361 -2.111 -0.656 1.00 64.41 N ATOM 0 H ARG A 29 -12.737 -5.122 4.213 1.00 52.11 H new ATOM 0 HA ARG A 29 -10.981 -3.103 3.254 1.00 1.13 H new ATOM 0 HB2 ARG A 29 -14.015 -3.270 3.098 1.00 25.15 H new ATOM 0 HB3 ARG A 29 -12.971 -2.317 2.062 1.00 25.15 H new ATOM 0 HG2 ARG A 29 -12.100 -4.237 0.967 1.00 74.40 H new ATOM 0 HG3 ARG A 29 -12.662 -5.322 2.223 1.00 74.40 H new ATOM 0 HD2 ARG A 29 -14.032 -5.348 0.090 1.00 75.45 H new ATOM 0 HD3 ARG A 29 -14.951 -5.087 1.559 1.00 75.45 H new ATOM 0 HE ARG A 29 -14.139 -2.567 0.366 1.00 53.02 H new ATOM 0 HH11 ARG A 29 -16.451 -5.227 0.153 1.00 15.20 H new ATOM 0 HH12 ARG A 29 -17.694 -4.237 -0.619 1.00 15.20 H new ATOM 0 HH21 ARG A 29 -15.742 -1.301 -0.624 1.00 64.41 H new ATOM 0 HH22 ARG A 29 -17.295 -2.023 -1.057 1.00 64.41 H new ATOM 453 N LYS A 30 -12.971 -2.346 5.733 1.00 1.40 N ATOM 454 CA LYS A 30 -13.283 -1.327 6.729 1.00 62.13 C ATOM 455 C LYS A 30 -12.049 -0.978 7.555 1.00 41.34 C ATOM 456 O LYS A 30 -11.792 0.192 7.843 1.00 74.52 O ATOM 457 CB LYS A 30 -14.405 -1.811 7.649 1.00 33.43 C ATOM 458 CG LYS A 30 -15.795 -1.443 7.160 1.00 51.05 C ATOM 459 CD LYS A 30 -16.876 -2.089 8.010 1.00 24.13 C ATOM 460 CE LYS A 30 -18.256 -1.890 7.404 1.00 51.04 C ATOM 461 NZ LYS A 30 -19.245 -1.424 8.415 1.00 5.22 N ATOM 0 H LYS A 30 -13.388 -3.258 5.918 1.00 1.40 H new ATOM 0 HA LYS A 30 -13.613 -0.430 6.204 1.00 62.13 H new ATOM 0 HB2 LYS A 30 -14.339 -2.894 7.749 1.00 33.43 H new ATOM 0 HB3 LYS A 30 -14.255 -1.390 8.643 1.00 33.43 H new ATOM 0 HG2 LYS A 30 -15.914 -0.360 7.181 1.00 51.05 H new ATOM 0 HG3 LYS A 30 -15.911 -1.756 6.123 1.00 51.05 H new ATOM 0 HD2 LYS A 30 -16.672 -3.155 8.111 1.00 24.13 H new ATOM 0 HD3 LYS A 30 -16.854 -1.664 9.013 1.00 24.13 H new ATOM 0 HE2 LYS A 30 -18.195 -1.163 6.594 1.00 51.04 H new ATOM 0 HE3 LYS A 30 -18.599 -2.828 6.966 1.00 51.04 H new ATOM 0 HZ1 LYS A 30 -20.173 -1.300 7.962 1.00 5.22 H new ATOM 0 HZ2 LYS A 30 -19.322 -2.129 9.176 1.00 5.22 H new ATOM 0 HZ3 LYS A 30 -18.931 -0.517 8.815 1.00 5.22 H new ATOM 475 N LYS A 31 -11.287 -1.998 7.932 1.00 65.42 N ATOM 476 CA LYS A 31 -10.077 -1.800 8.722 1.00 15.12 C ATOM 477 C LYS A 31 -9.055 -0.970 7.953 1.00 65.42 C ATOM 478 O LYS A 31 -8.548 0.032 8.458 1.00 32.00 O ATOM 479 CB LYS A 31 -9.469 -3.150 9.108 1.00 4.24 C ATOM 480 CG LYS A 31 -8.075 -3.041 9.704 1.00 54.44 C ATOM 481 CD LYS A 31 -7.505 -4.408 10.043 1.00 52.33 C ATOM 482 CE LYS A 31 -6.060 -4.538 9.586 1.00 12.31 C ATOM 483 NZ LYS A 31 -5.163 -3.594 10.309 1.00 71.11 N ATOM 0 H LYS A 31 -11.486 -2.972 7.703 1.00 65.42 H new ATOM 0 HA LYS A 31 -10.349 -1.259 9.628 1.00 15.12 H new ATOM 0 HB2 LYS A 31 -10.125 -3.642 9.826 1.00 4.24 H new ATOM 0 HB3 LYS A 31 -9.429 -3.787 8.224 1.00 4.24 H new ATOM 0 HG2 LYS A 31 -7.415 -2.535 8.999 1.00 54.44 H new ATOM 0 HG3 LYS A 31 -8.110 -2.427 10.604 1.00 54.44 H new ATOM 0 HD2 LYS A 31 -7.564 -4.571 11.119 1.00 52.33 H new ATOM 0 HD3 LYS A 31 -8.109 -5.183 9.570 1.00 52.33 H new ATOM 0 HE2 LYS A 31 -5.718 -5.560 9.748 1.00 12.31 H new ATOM 0 HE3 LYS A 31 -5.999 -4.348 8.514 1.00 12.31 H new ATOM 0 HZ1 LYS A 31 -4.226 -3.590 9.857 1.00 71.11 H new ATOM 0 HZ2 LYS A 31 -5.567 -2.636 10.275 1.00 71.11 H new ATOM 0 HZ3 LYS A 31 -5.068 -3.895 11.300 1.00 71.11 H new ATOM 497 N ILE A 32 -8.756 -1.394 6.729 1.00 14.50 N ATOM 498 CA ILE A 32 -7.796 -0.688 5.890 1.00 51.40 C ATOM 499 C ILE A 32 -8.281 0.721 5.566 1.00 43.42 C ATOM 500 O ILE A 32 -7.500 1.674 5.571 1.00 74.44 O ATOM 501 CB ILE A 32 -7.535 -1.444 4.574 1.00 32.11 C ATOM 502 CG1 ILE A 32 -6.590 -2.622 4.817 1.00 62.44 C ATOM 503 CG2 ILE A 32 -6.959 -0.503 3.527 1.00 12.51 C ATOM 504 CD1 ILE A 32 -6.422 -3.521 3.611 1.00 50.50 C ATOM 0 H ILE A 32 -9.165 -2.223 6.297 1.00 14.50 H new ATOM 0 HA ILE A 32 -6.866 -0.629 6.456 1.00 51.40 H new ATOM 0 HB ILE A 32 -8.483 -1.833 4.202 1.00 32.11 H new ATOM 0 HG12 ILE A 32 -5.614 -2.239 5.113 1.00 62.44 H new ATOM 0 HG13 ILE A 32 -6.967 -3.214 5.651 1.00 62.44 H new ATOM 0 HG21 ILE A 32 -6.780 -1.053 2.603 1.00 12.51 H new ATOM 0 HG22 ILE A 32 -7.664 0.306 3.337 1.00 12.51 H new ATOM 0 HG23 ILE A 32 -6.019 -0.087 3.889 1.00 12.51 H new ATOM 0 HD11 ILE A 32 -5.739 -4.334 3.856 1.00 50.50 H new ATOM 0 HD12 ILE A 32 -7.390 -3.933 3.327 1.00 50.50 H new ATOM 0 HD13 ILE A 32 -6.016 -2.944 2.781 1.00 50.50 H new ATOM 516 N ARG A 33 -9.574 0.847 5.286 1.00 21.22 N ATOM 517 CA ARG A 33 -10.163 2.140 4.960 1.00 33.23 C ATOM 518 C ARG A 33 -10.260 3.022 6.202 1.00 64.32 C ATOM 519 O ARG A 33 -10.347 4.246 6.101 1.00 61.42 O ATOM 520 CB ARG A 33 -11.552 1.951 4.347 1.00 42.24 C ATOM 521 CG ARG A 33 -12.311 3.253 4.145 1.00 23.35 C ATOM 522 CD ARG A 33 -13.579 3.038 3.335 1.00 51.34 C ATOM 523 NE ARG A 33 -14.743 2.813 4.188 1.00 63.41 N ATOM 524 CZ ARG A 33 -15.323 3.767 4.907 1.00 41.01 C ATOM 525 NH1 ARG A 33 -14.850 5.005 4.875 1.00 15.42 N ATOM 526 NH2 ARG A 33 -16.379 3.484 5.659 1.00 25.53 N ATOM 0 H ARG A 33 -10.234 0.069 5.278 1.00 21.22 H new ATOM 0 HA ARG A 33 -9.516 2.633 4.234 1.00 33.23 H new ATOM 0 HB2 ARG A 33 -11.450 1.447 3.386 1.00 42.24 H new ATOM 0 HB3 ARG A 33 -12.138 1.295 4.991 1.00 42.24 H new ATOM 0 HG2 ARG A 33 -12.565 3.681 5.114 1.00 23.35 H new ATOM 0 HG3 ARG A 33 -11.671 3.974 3.636 1.00 23.35 H new ATOM 0 HD2 ARG A 33 -13.756 3.907 2.702 1.00 51.34 H new ATOM 0 HD3 ARG A 33 -13.445 2.183 2.672 1.00 51.34 H new ATOM 0 HE ARG A 33 -15.132 1.871 4.234 1.00 63.41 H new ATOM 0 HH11 ARG A 33 -14.039 5.226 4.297 1.00 15.42 H new ATOM 0 HH12 ARG A 33 -15.297 5.736 5.428 1.00 15.42 H new ATOM 0 HH21 ARG A 33 -16.746 2.533 5.685 1.00 25.53 H new ATOM 0 HH22 ARG A 33 -16.824 4.218 6.211 1.00 25.53 H new ATOM 540 N ASP A 34 -10.244 2.392 7.371 1.00 22.32 N ATOM 541 CA ASP A 34 -10.329 3.119 8.633 1.00 62.44 C ATOM 542 C ASP A 34 -8.939 3.373 9.208 1.00 40.23 C ATOM 543 O ASP A 34 -8.799 3.833 10.342 1.00 54.21 O ATOM 544 CB ASP A 34 -11.176 2.339 9.639 1.00 21.42 C ATOM 545 CG ASP A 34 -12.657 2.403 9.322 1.00 10.25 C ATOM 546 OD1 ASP A 34 -13.034 3.153 8.397 1.00 31.40 O ATOM 547 OD2 ASP A 34 -13.439 1.704 9.999 1.00 31.24 O ATOM 0 H ASP A 34 -10.173 1.379 7.472 1.00 22.32 H new ATOM 0 HA ASP A 34 -10.804 4.081 8.439 1.00 62.44 H new ATOM 0 HB2 ASP A 34 -10.854 1.298 9.650 1.00 21.42 H new ATOM 0 HB3 ASP A 34 -11.004 2.736 10.639 1.00 21.42 H new ATOM 552 N LEU A 35 -7.914 3.070 8.419 1.00 4.54 N ATOM 553 CA LEU A 35 -6.534 3.265 8.850 1.00 5.52 C ATOM 554 C LEU A 35 -6.217 4.749 9.009 1.00 11.10 C ATOM 555 O LEU A 35 -6.903 5.617 8.468 1.00 61.32 O ATOM 556 CB LEU A 35 -5.570 2.632 7.845 1.00 33.41 C ATOM 557 CG LEU A 35 -5.319 1.132 8.010 1.00 51.32 C ATOM 558 CD1 LEU A 35 -4.494 0.599 6.849 1.00 72.40 C ATOM 559 CD2 LEU A 35 -4.625 0.850 9.334 1.00 5.31 C ATOM 0 H LEU A 35 -8.012 2.689 7.478 1.00 4.54 H new ATOM 0 HA LEU A 35 -6.411 2.780 9.818 1.00 5.52 H new ATOM 0 HB2 LEU A 35 -5.956 2.807 6.841 1.00 33.41 H new ATOM 0 HB3 LEU A 35 -4.613 3.150 7.913 1.00 33.41 H new ATOM 0 HG LEU A 35 -6.281 0.619 8.011 1.00 51.32 H new ATOM 0 HD11 LEU A 35 -4.325 -0.469 6.983 1.00 72.40 H new ATOM 0 HD12 LEU A 35 -5.029 0.767 5.915 1.00 72.40 H new ATOM 0 HD13 LEU A 35 -3.535 1.117 6.816 1.00 72.40 H new ATOM 0 HD21 LEU A 35 -4.454 -0.222 9.434 1.00 5.31 H new ATOM 0 HD22 LEU A 35 -3.670 1.374 9.363 1.00 5.31 H new ATOM 0 HD23 LEU A 35 -5.253 1.196 10.155 1.00 5.31 H new ATOM 571 N PRO A 36 -5.152 5.050 9.767 1.00 32.52 N ATOM 572 CA PRO A 36 -4.719 6.428 10.012 1.00 3.25 C ATOM 573 C PRO A 36 -4.138 7.084 8.764 1.00 0.03 C ATOM 574 O PRO A 36 -3.129 6.628 8.225 1.00 52.42 O ATOM 575 CB PRO A 36 -3.640 6.275 11.087 1.00 24.22 C ATOM 576 CG PRO A 36 -3.120 4.890 10.907 1.00 10.25 C ATOM 577 CD PRO A 36 -4.289 4.066 10.443 1.00 50.31 C ATOM 0 HA PRO A 36 -5.549 7.069 10.310 1.00 3.25 H new ATOM 0 HB2 PRO A 36 -2.849 7.014 10.962 1.00 24.22 H new ATOM 0 HB3 PRO A 36 -4.053 6.416 12.086 1.00 24.22 H new ATOM 0 HG2 PRO A 36 -2.312 4.868 10.175 1.00 10.25 H new ATOM 0 HG3 PRO A 36 -2.714 4.501 11.841 1.00 10.25 H new ATOM 0 HD2 PRO A 36 -3.977 3.272 9.765 1.00 50.31 H new ATOM 0 HD3 PRO A 36 -4.801 3.589 11.278 1.00 50.31 H new ATOM 585 N ILE A 37 -4.780 8.155 8.311 1.00 13.22 N ATOM 586 CA ILE A 37 -4.326 8.874 7.127 1.00 23.14 C ATOM 587 C ILE A 37 -3.001 9.583 7.390 1.00 74.15 C ATOM 588 O ILE A 37 -2.159 9.696 6.499 1.00 21.31 O ATOM 589 CB ILE A 37 -5.367 9.910 6.663 1.00 24.23 C ATOM 590 CG1 ILE A 37 -5.816 10.777 7.841 1.00 23.34 C ATOM 591 CG2 ILE A 37 -6.560 9.213 6.026 1.00 3.13 C ATOM 592 CD1 ILE A 37 -6.700 11.935 7.437 1.00 40.35 C ATOM 0 H ILE A 37 -5.616 8.544 8.746 1.00 13.22 H new ATOM 0 HA ILE A 37 -4.189 8.132 6.340 1.00 23.14 H new ATOM 0 HB ILE A 37 -4.907 10.556 5.916 1.00 24.23 H new ATOM 0 HG12 ILE A 37 -6.352 10.154 8.557 1.00 23.34 H new ATOM 0 HG13 ILE A 37 -4.935 11.164 8.353 1.00 23.34 H new ATOM 0 HG21 ILE A 37 -7.287 9.958 5.703 1.00 3.13 H new ATOM 0 HG22 ILE A 37 -6.226 8.635 5.164 1.00 3.13 H new ATOM 0 HG23 ILE A 37 -7.023 8.546 6.753 1.00 3.13 H new ATOM 0 HD11 ILE A 37 -6.980 12.506 8.323 1.00 40.35 H new ATOM 0 HD12 ILE A 37 -6.160 12.581 6.745 1.00 40.35 H new ATOM 0 HD13 ILE A 37 -7.599 11.555 6.952 1.00 40.35 H new ATOM 604 N SER A 38 -2.824 10.058 8.618 1.00 22.12 N ATOM 605 CA SER A 38 -1.602 10.758 8.998 1.00 53.01 C ATOM 606 C SER A 38 -0.404 9.815 8.967 1.00 25.21 C ATOM 607 O SER A 38 0.742 10.251 8.842 1.00 74.14 O ATOM 608 CB SER A 38 -1.751 11.367 10.394 1.00 60.43 C ATOM 609 OG SER A 38 -3.105 11.675 10.674 1.00 35.41 O ATOM 0 H SER A 38 -3.511 9.971 9.367 1.00 22.12 H new ATOM 0 HA SER A 38 -1.431 11.558 8.277 1.00 53.01 H new ATOM 0 HB2 SER A 38 -1.372 10.670 11.141 1.00 60.43 H new ATOM 0 HB3 SER A 38 -1.147 12.271 10.466 1.00 60.43 H new ATOM 0 HG SER A 38 -3.528 10.913 11.122 1.00 35.41 H new ATOM 615 N LEU A 39 -0.675 8.520 9.083 1.00 71.55 N ATOM 616 CA LEU A 39 0.380 7.512 9.068 1.00 2.30 C ATOM 617 C LEU A 39 0.962 7.353 7.667 1.00 1.51 C ATOM 618 O LEU A 39 2.131 7.003 7.505 1.00 3.21 O ATOM 619 CB LEU A 39 -0.162 6.170 9.563 1.00 41.23 C ATOM 620 CG LEU A 39 0.790 5.338 10.423 1.00 15.13 C ATOM 621 CD1 LEU A 39 0.020 4.593 11.502 1.00 34.32 C ATOM 622 CD2 LEU A 39 1.577 4.365 9.559 1.00 64.33 C ATOM 0 H LEU A 39 -1.617 8.143 9.189 1.00 71.55 H new ATOM 0 HA LEU A 39 1.175 7.844 9.736 1.00 2.30 H new ATOM 0 HB2 LEU A 39 -1.069 6.357 10.138 1.00 41.23 H new ATOM 0 HB3 LEU A 39 -0.450 5.575 8.696 1.00 41.23 H new ATOM 0 HG LEU A 39 1.495 6.013 10.908 1.00 15.13 H new ATOM 0 HD11 LEU A 39 0.713 4.006 12.104 1.00 34.32 H new ATOM 0 HD12 LEU A 39 -0.498 5.309 12.140 1.00 34.32 H new ATOM 0 HD13 LEU A 39 -0.708 3.929 11.036 1.00 34.32 H new ATOM 0 HD21 LEU A 39 2.249 3.781 10.188 1.00 64.33 H new ATOM 0 HD22 LEU A 39 0.888 3.695 9.045 1.00 64.33 H new ATOM 0 HD23 LEU A 39 2.159 4.920 8.823 1.00 64.33 H new ATOM 634 N PHE A 40 0.139 7.615 6.657 1.00 42.30 N ATOM 635 CA PHE A 40 0.572 7.503 5.269 1.00 24.31 C ATOM 636 C PHE A 40 0.336 8.810 4.518 1.00 70.42 C ATOM 637 O PHE A 40 -0.805 9.234 4.333 1.00 43.13 O ATOM 638 CB PHE A 40 -0.169 6.360 4.572 1.00 23.45 C ATOM 639 CG PHE A 40 -0.356 5.149 5.442 1.00 51.14 C ATOM 640 CD1 PHE A 40 -1.455 5.045 6.280 1.00 45.02 C ATOM 641 CD2 PHE A 40 0.566 4.115 5.420 1.00 32.01 C ATOM 642 CE1 PHE A 40 -1.629 3.933 7.081 1.00 23.51 C ATOM 643 CE2 PHE A 40 0.397 3.000 6.219 1.00 74.30 C ATOM 644 CZ PHE A 40 -0.703 2.908 7.050 1.00 42.13 C ATOM 0 H PHE A 40 -0.832 7.906 6.774 1.00 42.30 H new ATOM 0 HA PHE A 40 1.641 7.290 5.264 1.00 24.31 H new ATOM 0 HB2 PHE A 40 -1.146 6.717 4.245 1.00 23.45 H new ATOM 0 HB3 PHE A 40 0.382 6.073 3.677 1.00 23.45 H new ATOM 0 HD1 PHE A 40 -2.183 5.842 6.307 1.00 45.02 H new ATOM 0 HD2 PHE A 40 1.427 4.181 4.771 1.00 32.01 H new ATOM 0 HE1 PHE A 40 -2.489 3.865 7.731 1.00 23.51 H new ATOM 0 HE2 PHE A 40 1.124 2.202 6.194 1.00 74.30 H new ATOM 0 HZ PHE A 40 -0.839 2.037 7.674 1.00 42.13 H new ATOM 654 N ASP A 41 1.422 9.443 4.088 1.00 30.41 N ATOM 655 CA ASP A 41 1.334 10.701 3.356 1.00 2.15 C ATOM 656 C ASP A 41 0.373 10.579 2.178 1.00 65.41 C ATOM 657 O ASP A 41 -0.249 11.558 1.767 1.00 42.23 O ATOM 658 CB ASP A 41 2.718 11.125 2.861 1.00 73.02 C ATOM 659 CG ASP A 41 3.082 12.531 3.294 1.00 2.23 C ATOM 660 OD1 ASP A 41 2.480 13.489 2.766 1.00 45.21 O ATOM 661 OD2 ASP A 41 3.970 12.674 4.161 1.00 32.14 O ATOM 0 H ASP A 41 2.373 9.106 4.234 1.00 30.41 H new ATOM 0 HA ASP A 41 0.951 11.462 4.035 1.00 2.15 H new ATOM 0 HB2 ASP A 41 3.465 10.427 3.238 1.00 73.02 H new ATOM 0 HB3 ASP A 41 2.746 11.064 1.773 1.00 73.02 H new ATOM 666 N TYR A 42 0.259 9.370 1.638 1.00 14.32 N ATOM 667 CA TYR A 42 -0.623 9.120 0.504 1.00 15.34 C ATOM 668 C TYR A 42 -1.371 7.801 0.676 1.00 1.41 C ATOM 669 O TYR A 42 -0.761 6.749 0.868 1.00 52.13 O ATOM 670 CB TYR A 42 0.179 9.099 -0.798 1.00 13.02 C ATOM 671 CG TYR A 42 -0.664 8.830 -2.024 1.00 31.42 C ATOM 672 CD1 TYR A 42 -1.959 9.324 -2.123 1.00 41.10 C ATOM 673 CD2 TYR A 42 -0.166 8.080 -3.082 1.00 54.14 C ATOM 674 CE1 TYR A 42 -2.733 9.080 -3.241 1.00 11.01 C ATOM 675 CE2 TYR A 42 -0.933 7.832 -4.205 1.00 2.33 C ATOM 676 CZ TYR A 42 -2.215 8.334 -4.279 1.00 54.12 C ATOM 677 OH TYR A 42 -2.982 8.088 -5.395 1.00 15.31 O ATOM 0 H TYR A 42 0.766 8.549 1.967 1.00 14.32 H new ATOM 0 HA TYR A 42 -1.354 9.928 0.459 1.00 15.34 H new ATOM 0 HB2 TYR A 42 0.685 10.057 -0.919 1.00 13.02 H new ATOM 0 HB3 TYR A 42 0.954 8.336 -0.725 1.00 13.02 H new ATOM 0 HD1 TYR A 42 -2.367 9.909 -1.312 1.00 41.10 H new ATOM 0 HD2 TYR A 42 0.837 7.684 -3.026 1.00 54.14 H new ATOM 0 HE1 TYR A 42 -3.738 9.471 -3.302 1.00 11.01 H new ATOM 0 HE2 TYR A 42 -0.530 7.248 -5.020 1.00 2.33 H new ATOM 0 HH TYR A 42 -3.605 8.831 -5.534 1.00 15.31 H new ATOM 687 N PHE A 43 -2.696 7.867 0.605 1.00 33.52 N ATOM 688 CA PHE A 43 -3.529 6.679 0.753 1.00 71.42 C ATOM 689 C PHE A 43 -4.598 6.625 -0.335 1.00 22.10 C ATOM 690 O PHE A 43 -5.482 7.480 -0.394 1.00 45.41 O ATOM 691 CB PHE A 43 -4.189 6.661 2.133 1.00 20.32 C ATOM 692 CG PHE A 43 -4.307 5.285 2.723 1.00 33.53 C ATOM 693 CD1 PHE A 43 -4.312 4.165 1.908 1.00 62.45 C ATOM 694 CD2 PHE A 43 -4.415 5.111 4.094 1.00 64.12 C ATOM 695 CE1 PHE A 43 -4.420 2.897 2.447 1.00 32.33 C ATOM 696 CE2 PHE A 43 -4.523 3.846 4.639 1.00 22.32 C ATOM 697 CZ PHE A 43 -4.527 2.737 3.815 1.00 41.30 C ATOM 0 H PHE A 43 -3.216 8.730 0.446 1.00 33.52 H new ATOM 0 HA PHE A 43 -2.889 5.803 0.653 1.00 71.42 H new ATOM 0 HB2 PHE A 43 -3.612 7.290 2.811 1.00 20.32 H new ATOM 0 HB3 PHE A 43 -5.183 7.102 2.057 1.00 20.32 H new ATOM 0 HD1 PHE A 43 -4.230 4.284 0.838 1.00 62.45 H new ATOM 0 HD2 PHE A 43 -4.415 5.974 4.743 1.00 64.12 H new ATOM 0 HE1 PHE A 43 -4.421 2.032 1.800 1.00 32.33 H new ATOM 0 HE2 PHE A 43 -4.604 3.724 5.709 1.00 22.32 H new ATOM 0 HZ PHE A 43 -4.614 1.748 4.239 1.00 41.30 H new ATOM 707 N ILE A 44 -4.509 5.615 -1.194 1.00 33.25 N ATOM 708 CA ILE A 44 -5.468 5.449 -2.279 1.00 32.03 C ATOM 709 C ILE A 44 -5.885 3.989 -2.426 1.00 2.50 C ATOM 710 O ILE A 44 -5.059 3.123 -2.716 1.00 15.21 O ATOM 711 CB ILE A 44 -4.893 5.945 -3.619 1.00 33.23 C ATOM 712 CG1 ILE A 44 -5.775 5.481 -4.780 1.00 14.32 C ATOM 713 CG2 ILE A 44 -3.467 5.448 -3.799 1.00 63.01 C ATOM 714 CD1 ILE A 44 -5.942 6.522 -5.865 1.00 11.12 C ATOM 0 H ILE A 44 -3.783 4.900 -1.160 1.00 33.25 H new ATOM 0 HA ILE A 44 -6.341 6.049 -2.023 1.00 32.03 H new ATOM 0 HB ILE A 44 -4.879 7.035 -3.611 1.00 33.23 H new ATOM 0 HG12 ILE A 44 -5.344 4.580 -5.216 1.00 14.32 H new ATOM 0 HG13 ILE A 44 -6.757 5.210 -4.394 1.00 14.32 H new ATOM 0 HG21 ILE A 44 -3.074 5.807 -4.750 1.00 63.01 H new ATOM 0 HG22 ILE A 44 -2.846 5.823 -2.986 1.00 63.01 H new ATOM 0 HG23 ILE A 44 -3.458 4.358 -3.790 1.00 63.01 H new ATOM 0 HD11 ILE A 44 -6.579 6.125 -6.655 1.00 11.12 H new ATOM 0 HD12 ILE A 44 -6.402 7.416 -5.444 1.00 11.12 H new ATOM 0 HD13 ILE A 44 -4.966 6.776 -6.279 1.00 11.12 H new ATOM 726 N VAL A 45 -7.172 3.724 -2.226 1.00 21.00 N ATOM 727 CA VAL A 45 -7.700 2.370 -2.339 1.00 63.43 C ATOM 728 C VAL A 45 -8.790 2.292 -3.402 1.00 14.04 C ATOM 729 O VAL A 45 -9.626 3.188 -3.515 1.00 44.15 O ATOM 730 CB VAL A 45 -8.270 1.875 -0.997 1.00 1.23 C ATOM 731 CG1 VAL A 45 -8.390 0.359 -0.993 1.00 72.13 C ATOM 732 CG2 VAL A 45 -7.402 2.352 0.158 1.00 11.11 C ATOM 0 H VAL A 45 -7.868 4.429 -1.985 1.00 21.00 H new ATOM 0 HA VAL A 45 -6.867 1.729 -2.629 1.00 63.43 H new ATOM 0 HB VAL A 45 -9.268 2.294 -0.870 1.00 1.23 H new ATOM 0 HG11 VAL A 45 -8.795 0.029 -0.036 1.00 72.13 H new ATOM 0 HG12 VAL A 45 -9.056 0.045 -1.797 1.00 72.13 H new ATOM 0 HG13 VAL A 45 -7.406 -0.084 -1.143 1.00 72.13 H new ATOM 0 HG21 VAL A 45 -7.819 1.993 1.099 1.00 11.11 H new ATOM 0 HG22 VAL A 45 -6.391 1.963 0.038 1.00 11.11 H new ATOM 0 HG23 VAL A 45 -7.373 3.442 0.166 1.00 11.11 H new ATOM 742 N GLY A 46 -8.777 1.213 -4.178 1.00 61.15 N ATOM 743 CA GLY A 46 -9.770 1.038 -5.222 1.00 32.51 C ATOM 744 C GLY A 46 -10.354 -0.361 -5.238 1.00 24.43 C ATOM 745 O GLY A 46 -9.619 -1.347 -5.183 1.00 33.14 O ATOM 0 H GLY A 46 -8.097 0.457 -4.103 1.00 61.15 H new ATOM 0 HA2 GLY A 46 -10.573 1.762 -5.081 1.00 32.51 H new ATOM 0 HA3 GLY A 46 -9.316 1.250 -6.190 1.00 32.51 H new ATOM 749 N GLU A 47 -11.678 -0.448 -5.311 1.00 52.24 N ATOM 750 CA GLU A 47 -12.359 -1.737 -5.331 1.00 60.14 C ATOM 751 C GLU A 47 -12.533 -2.238 -6.762 1.00 62.52 C ATOM 752 O GLU A 47 -12.940 -1.488 -7.648 1.00 15.11 O ATOM 753 CB GLU A 47 -13.724 -1.629 -4.648 1.00 3.11 C ATOM 754 CG GLU A 47 -14.575 -2.880 -4.787 1.00 23.04 C ATOM 755 CD GLU A 47 -15.798 -2.856 -3.891 1.00 11.41 C ATOM 756 OE1 GLU A 47 -16.374 -1.763 -3.704 1.00 20.20 O ATOM 757 OE2 GLU A 47 -16.179 -3.928 -3.377 1.00 53.20 O ATOM 0 H GLU A 47 -12.300 0.359 -5.357 1.00 52.24 H new ATOM 0 HA GLU A 47 -11.743 -2.452 -4.786 1.00 60.14 H new ATOM 0 HB2 GLU A 47 -13.575 -1.417 -3.589 1.00 3.11 H new ATOM 0 HB3 GLU A 47 -14.266 -0.782 -5.070 1.00 3.11 H new ATOM 0 HG2 GLU A 47 -14.891 -2.986 -5.825 1.00 23.04 H new ATOM 0 HG3 GLU A 47 -13.970 -3.755 -4.547 1.00 23.04 H new ATOM 875 N PRO A 56 -15.473 -9.835 -5.963 1.00 50.55 N ATOM 876 CA PRO A 56 -14.847 -8.574 -5.552 1.00 74.21 C ATOM 877 C PRO A 56 -13.387 -8.756 -5.151 1.00 54.53 C ATOM 878 O PRO A 56 -13.026 -9.745 -4.514 1.00 35.33 O ATOM 879 CB PRO A 56 -15.683 -8.141 -4.345 1.00 53.43 C ATOM 880 CG PRO A 56 -16.251 -9.407 -3.803 1.00 50.31 C ATOM 881 CD PRO A 56 -16.474 -10.302 -4.990 1.00 72.32 C ATOM 0 HA PRO A 56 -14.831 -7.844 -6.361 1.00 74.21 H new ATOM 0 HB2 PRO A 56 -15.070 -7.632 -3.601 1.00 53.43 H new ATOM 0 HB3 PRO A 56 -16.471 -7.447 -4.638 1.00 53.43 H new ATOM 0 HG2 PRO A 56 -15.567 -9.868 -3.090 1.00 50.31 H new ATOM 0 HG3 PRO A 56 -17.185 -9.220 -3.274 1.00 50.31 H new ATOM 0 HD2 PRO A 56 -16.327 -11.352 -4.735 1.00 72.32 H new ATOM 0 HD3 PRO A 56 -17.488 -10.207 -5.380 1.00 72.32 H new ATOM 889 N HIS A 57 -12.551 -7.794 -5.529 1.00 11.44 N ATOM 890 CA HIS A 57 -11.129 -7.847 -5.207 1.00 73.21 C ATOM 891 C HIS A 57 -10.625 -6.483 -4.746 1.00 21.11 C ATOM 892 O HIS A 57 -10.992 -5.451 -5.309 1.00 11.11 O ATOM 893 CB HIS A 57 -10.328 -8.317 -6.421 1.00 44.54 C ATOM 894 CG HIS A 57 -8.849 -8.136 -6.269 1.00 4.21 C ATOM 895 ND1 HIS A 57 -8.132 -7.180 -6.958 1.00 72.21 N ATOM 896 CD2 HIS A 57 -7.951 -8.794 -5.499 1.00 30.12 C ATOM 897 CE1 HIS A 57 -6.858 -7.260 -6.620 1.00 4.31 C ATOM 898 NE2 HIS A 57 -6.721 -8.231 -5.735 1.00 51.03 N ATOM 0 H HIS A 57 -12.833 -6.969 -6.058 1.00 11.44 H new ATOM 0 HA HIS A 57 -10.992 -8.559 -4.393 1.00 73.21 H new ATOM 0 HB2 HIS A 57 -10.540 -9.371 -6.600 1.00 44.54 H new ATOM 0 HB3 HIS A 57 -10.664 -7.770 -7.302 1.00 44.54 H new ATOM 0 HD1 HIS A 57 -8.525 -6.515 -7.624 1.00 72.21 H new ATOM 0 HD2 HIS A 57 -8.163 -9.610 -4.824 1.00 30.12 H new ATOM 0 HE1 HIS A 57 -6.063 -6.637 -7.002 1.00 4.31 H new ATOM 906 N LEU A 58 -9.783 -6.486 -3.719 1.00 4.33 N ATOM 907 CA LEU A 58 -9.228 -5.248 -3.181 1.00 30.21 C ATOM 908 C LEU A 58 -7.864 -4.951 -3.795 1.00 50.43 C ATOM 909 O LEU A 58 -7.012 -5.833 -3.894 1.00 60.01 O ATOM 910 CB LEU A 58 -9.105 -5.340 -1.659 1.00 33.21 C ATOM 911 CG LEU A 58 -9.669 -4.160 -0.867 1.00 51.45 C ATOM 912 CD1 LEU A 58 -9.361 -4.314 0.614 1.00 72.22 C ATOM 913 CD2 LEU A 58 -9.109 -2.847 -1.396 1.00 74.13 C ATOM 0 H LEU A 58 -9.469 -7.331 -3.242 1.00 4.33 H new ATOM 0 HA LEU A 58 -9.906 -4.434 -3.436 1.00 30.21 H new ATOM 0 HB2 LEU A 58 -9.609 -6.248 -1.328 1.00 33.21 H new ATOM 0 HB3 LEU A 58 -8.051 -5.451 -1.406 1.00 33.21 H new ATOM 0 HG LEU A 58 -10.752 -4.148 -0.992 1.00 51.45 H new ATOM 0 HD11 LEU A 58 -9.770 -3.465 1.161 1.00 72.22 H new ATOM 0 HD12 LEU A 58 -9.810 -5.235 0.985 1.00 72.22 H new ATOM 0 HD13 LEU A 58 -8.281 -4.353 0.759 1.00 72.22 H new ATOM 0 HD21 LEU A 58 -9.521 -2.018 -0.821 1.00 74.13 H new ATOM 0 HD22 LEU A 58 -8.023 -2.850 -1.301 1.00 74.13 H new ATOM 0 HD23 LEU A 58 -9.381 -2.732 -2.445 1.00 74.13 H new ATOM 925 N GLN A 59 -7.665 -3.702 -4.204 1.00 42.24 N ATOM 926 CA GLN A 59 -6.403 -3.288 -4.808 1.00 34.14 C ATOM 927 C GLN A 59 -6.164 -1.796 -4.599 1.00 62.45 C ATOM 928 O GLN A 59 -6.872 -0.960 -5.159 1.00 4.24 O ATOM 929 CB GLN A 59 -6.397 -3.614 -6.302 1.00 73.01 C ATOM 930 CG GLN A 59 -5.238 -2.984 -7.057 1.00 73.15 C ATOM 931 CD GLN A 59 -3.891 -3.512 -6.605 1.00 11.11 C ATOM 932 OE1 GLN A 59 -3.328 -2.893 -5.574 1.00 15.33 O flip ATOM 933 NE2 GLN A 59 -3.361 -4.466 -7.176 1.00 14.42 N flip ATOM 0 H GLN A 59 -8.360 -2.960 -4.128 1.00 42.24 H new ATOM 0 HA GLN A 59 -5.598 -3.838 -4.321 1.00 34.14 H new ATOM 0 HB2 GLN A 59 -6.358 -4.696 -6.429 1.00 73.01 H new ATOM 0 HB3 GLN A 59 -7.334 -3.275 -6.743 1.00 73.01 H new ATOM 0 HG2 GLN A 59 -5.359 -3.173 -8.124 1.00 73.15 H new ATOM 0 HG3 GLN A 59 -5.265 -1.903 -6.920 1.00 73.15 H new ATOM 0 HE21 GLN A 59 -3.829 -4.912 -7.965 1.00 14.42 H new ATOM 0 HE22 GLN A 59 -2.454 -4.810 -6.860 1.00 14.42 H new ATOM 942 N GLY A 60 -5.160 -1.470 -3.790 1.00 74.22 N ATOM 943 CA GLY A 60 -4.846 -0.079 -3.522 1.00 63.12 C ATOM 944 C GLY A 60 -3.380 0.132 -3.196 1.00 75.51 C ATOM 945 O GLY A 60 -2.619 -0.829 -3.079 1.00 2.30 O ATOM 0 H GLY A 60 -4.559 -2.144 -3.316 1.00 74.22 H new ATOM 0 HA2 GLY A 60 -5.113 0.524 -4.390 1.00 63.12 H new ATOM 0 HA3 GLY A 60 -5.455 0.274 -2.689 1.00 63.12 H new ATOM 949 N PHE A 61 -2.983 1.391 -3.050 1.00 55.35 N ATOM 950 CA PHE A 61 -1.599 1.725 -2.739 1.00 4.33 C ATOM 951 C PHE A 61 -1.526 2.715 -1.579 1.00 64.33 C ATOM 952 O PHE A 61 -2.336 3.635 -1.483 1.00 53.51 O ATOM 953 CB PHE A 61 -0.904 2.312 -3.969 1.00 42.01 C ATOM 954 CG PHE A 61 0.404 2.981 -3.657 1.00 1.31 C ATOM 955 CD1 PHE A 61 1.414 2.289 -3.009 1.00 24.10 C ATOM 956 CD2 PHE A 61 0.623 4.303 -4.012 1.00 25.54 C ATOM 957 CE1 PHE A 61 2.618 2.903 -2.720 1.00 24.32 C ATOM 958 CE2 PHE A 61 1.826 4.922 -3.725 1.00 72.44 C ATOM 959 CZ PHE A 61 2.825 4.220 -3.080 1.00 11.25 C ATOM 0 H PHE A 61 -3.601 2.197 -3.142 1.00 55.35 H new ATOM 0 HA PHE A 61 -1.088 0.808 -2.445 1.00 4.33 H new ATOM 0 HB2 PHE A 61 -0.732 1.516 -4.693 1.00 42.01 H new ATOM 0 HB3 PHE A 61 -1.569 3.035 -4.442 1.00 42.01 H new ATOM 0 HD1 PHE A 61 1.259 1.258 -2.726 1.00 24.10 H new ATOM 0 HD2 PHE A 61 -0.154 4.856 -4.518 1.00 25.54 H new ATOM 0 HE1 PHE A 61 3.397 2.353 -2.213 1.00 24.32 H new ATOM 0 HE2 PHE A 61 1.984 5.953 -4.005 1.00 72.44 H new ATOM 0 HZ PHE A 61 3.766 4.700 -2.857 1.00 11.25 H new ATOM 969 N ALA A 62 -0.548 2.516 -0.701 1.00 12.42 N ATOM 970 CA ALA A 62 -0.368 3.391 0.451 1.00 24.13 C ATOM 971 C ALA A 62 1.100 3.760 0.635 1.00 25.05 C ATOM 972 O ALA A 62 1.964 2.887 0.720 1.00 15.51 O ATOM 973 CB ALA A 62 -0.908 2.726 1.708 1.00 14.14 C ATOM 0 H ALA A 62 0.131 1.757 -0.765 1.00 12.42 H new ATOM 0 HA ALA A 62 -0.927 4.309 0.270 1.00 24.13 H new ATOM 0 HB1 ALA A 62 -0.767 3.391 2.560 1.00 14.14 H new ATOM 0 HB2 ALA A 62 -1.971 2.518 1.582 1.00 14.14 H new ATOM 0 HB3 ALA A 62 -0.374 1.792 1.884 1.00 14.14 H new ATOM 979 N ASN A 63 1.376 5.059 0.696 1.00 22.21 N ATOM 980 CA ASN A 63 2.741 5.543 0.869 1.00 50.10 C ATOM 981 C ASN A 63 3.057 5.765 2.345 1.00 15.11 C ATOM 982 O ASN A 63 2.477 6.639 2.990 1.00 5.41 O ATOM 983 CB ASN A 63 2.945 6.845 0.091 1.00 72.30 C ATOM 984 CG ASN A 63 4.383 7.325 0.134 1.00 73.45 C ATOM 985 OD1 ASN A 63 4.987 7.415 1.202 1.00 24.41 O ATOM 986 ND2 ASN A 63 4.937 7.636 -1.032 1.00 61.34 N ATOM 0 H ASN A 63 0.673 5.795 0.628 1.00 22.21 H new ATOM 0 HA ASN A 63 3.421 4.785 0.480 1.00 50.10 H new ATOM 0 HB2 ASN A 63 2.645 6.696 -0.946 1.00 72.30 H new ATOM 0 HB3 ASN A 63 2.295 7.617 0.503 1.00 72.30 H new ATOM 0 HD21 ASN A 63 5.902 7.965 -1.067 1.00 61.34 H new ATOM 0 HD22 ASN A 63 4.398 7.546 -1.893 1.00 61.34 H new ATOM 993 N PHE A 64 3.979 4.968 2.874 1.00 70.23 N ATOM 994 CA PHE A 64 4.372 5.076 4.274 1.00 51.42 C ATOM 995 C PHE A 64 5.167 6.355 4.518 1.00 44.53 C ATOM 996 O PHE A 64 6.139 6.639 3.817 1.00 61.10 O ATOM 997 CB PHE A 64 5.201 3.859 4.689 1.00 45.54 C ATOM 998 CG PHE A 64 4.495 2.954 5.657 1.00 51.14 C ATOM 999 CD1 PHE A 64 4.323 3.331 6.979 1.00 63.21 C ATOM 1000 CD2 PHE A 64 4.002 1.727 5.244 1.00 31.32 C ATOM 1001 CE1 PHE A 64 3.674 2.499 7.872 1.00 43.12 C ATOM 1002 CE2 PHE A 64 3.352 0.891 6.132 1.00 35.15 C ATOM 1003 CZ PHE A 64 3.187 1.278 7.448 1.00 53.32 C ATOM 0 H PHE A 64 4.468 4.240 2.354 1.00 70.23 H new ATOM 0 HA PHE A 64 3.466 5.112 4.878 1.00 51.42 H new ATOM 0 HB2 PHE A 64 5.466 3.289 3.798 1.00 45.54 H new ATOM 0 HB3 PHE A 64 6.134 4.201 5.138 1.00 45.54 H new ATOM 0 HD1 PHE A 64 4.700 4.285 7.316 1.00 63.21 H new ATOM 0 HD2 PHE A 64 4.127 1.420 4.216 1.00 31.32 H new ATOM 0 HE1 PHE A 64 3.548 2.803 8.900 1.00 43.12 H new ATOM 0 HE2 PHE A 64 2.973 -0.064 5.798 1.00 35.15 H new ATOM 0 HZ PHE A 64 2.678 0.627 8.144 1.00 53.32 H new ATOM 1013 N VAL A 65 4.747 7.125 5.517 1.00 42.23 N ATOM 1014 CA VAL A 65 5.420 8.374 5.855 1.00 74.04 C ATOM 1015 C VAL A 65 6.869 8.126 6.257 1.00 41.33 C ATOM 1016 O VAL A 65 7.713 9.017 6.160 1.00 42.42 O ATOM 1017 CB VAL A 65 4.698 9.107 7.001 1.00 4.31 C ATOM 1018 CG1 VAL A 65 5.485 10.338 7.426 1.00 20.25 C ATOM 1019 CG2 VAL A 65 3.285 9.486 6.585 1.00 31.43 C ATOM 0 H VAL A 65 3.944 6.906 6.106 1.00 42.23 H new ATOM 0 HA VAL A 65 5.396 8.999 4.962 1.00 74.04 H new ATOM 0 HB VAL A 65 4.632 8.433 7.855 1.00 4.31 H new ATOM 0 HG11 VAL A 65 4.960 10.844 8.237 1.00 20.25 H new ATOM 0 HG12 VAL A 65 6.475 10.037 7.767 1.00 20.25 H new ATOM 0 HG13 VAL A 65 5.584 11.017 6.579 1.00 20.25 H new ATOM 0 HG21 VAL A 65 2.790 10.003 7.407 1.00 31.43 H new ATOM 0 HG22 VAL A 65 3.325 10.142 5.716 1.00 31.43 H new ATOM 0 HG23 VAL A 65 2.726 8.585 6.334 1.00 31.43 H new ATOM 1029 N LYS A 66 7.152 6.909 6.708 1.00 3.34 N ATOM 1030 CA LYS A 66 8.501 6.542 7.124 1.00 35.53 C ATOM 1031 C LYS A 66 8.966 5.279 6.406 1.00 43.23 C ATOM 1032 O LYS A 66 8.267 4.750 5.542 1.00 74.02 O ATOM 1033 CB LYS A 66 8.548 6.326 8.639 1.00 44.13 C ATOM 1034 CG LYS A 66 8.713 7.611 9.431 1.00 54.50 C ATOM 1035 CD LYS A 66 7.376 8.295 9.669 1.00 62.52 C ATOM 1036 CE LYS A 66 6.599 7.623 10.791 1.00 41.32 C ATOM 1037 NZ LYS A 66 6.434 8.522 11.966 1.00 3.44 N ATOM 0 H LYS A 66 6.465 6.160 6.795 1.00 3.34 H new ATOM 0 HA LYS A 66 9.172 7.359 6.858 1.00 35.53 H new ATOM 0 HB2 LYS A 66 7.631 5.829 8.955 1.00 44.13 H new ATOM 0 HB3 LYS A 66 9.373 5.654 8.876 1.00 44.13 H new ATOM 0 HG2 LYS A 66 9.186 7.391 10.388 1.00 54.50 H new ATOM 0 HG3 LYS A 66 9.378 8.287 8.894 1.00 54.50 H new ATOM 0 HD2 LYS A 66 7.541 9.344 9.917 1.00 62.52 H new ATOM 0 HD3 LYS A 66 6.786 8.273 8.753 1.00 62.52 H new ATOM 0 HE2 LYS A 66 5.618 7.322 10.424 1.00 41.32 H new ATOM 0 HE3 LYS A 66 7.117 6.715 11.098 1.00 41.32 H new ATOM 0 HZ1 LYS A 66 5.900 8.028 12.709 1.00 3.44 H new ATOM 0 HZ2 LYS A 66 7.370 8.790 12.332 1.00 3.44 H new ATOM 0 HZ3 LYS A 66 5.917 9.378 11.679 1.00 3.44 H new ATOM 1051 N LYS A 67 10.151 4.800 6.769 1.00 43.32 N ATOM 1052 CA LYS A 67 10.710 3.598 6.161 1.00 1.33 C ATOM 1053 C LYS A 67 10.245 2.348 6.901 1.00 53.10 C ATOM 1054 O LYS A 67 10.497 2.194 8.096 1.00 74.34 O ATOM 1055 CB LYS A 67 12.239 3.665 6.162 1.00 10.04 C ATOM 1056 CG LYS A 67 12.796 4.874 5.431 1.00 74.04 C ATOM 1057 CD LYS A 67 13.055 4.568 3.965 1.00 30.00 C ATOM 1058 CE LYS A 67 14.088 5.514 3.372 1.00 1.05 C ATOM 1059 NZ LYS A 67 15.179 4.778 2.676 1.00 25.13 N ATOM 0 H LYS A 67 10.743 5.226 7.482 1.00 43.32 H new ATOM 0 HA LYS A 67 10.356 3.543 5.132 1.00 1.33 H new ATOM 0 HB2 LYS A 67 12.593 3.680 7.193 1.00 10.04 H new ATOM 0 HB3 LYS A 67 12.634 2.759 5.702 1.00 10.04 H new ATOM 0 HG2 LYS A 67 12.095 5.704 5.512 1.00 74.04 H new ATOM 0 HG3 LYS A 67 13.724 5.193 5.907 1.00 74.04 H new ATOM 0 HD2 LYS A 67 13.401 3.539 3.863 1.00 30.00 H new ATOM 0 HD3 LYS A 67 12.123 4.648 3.405 1.00 30.00 H new ATOM 0 HE2 LYS A 67 13.600 6.190 2.670 1.00 1.05 H new ATOM 0 HE3 LYS A 67 14.513 6.130 4.164 1.00 1.05 H new ATOM 0 HZ1 LYS A 67 15.862 5.458 2.286 1.00 25.13 H new ATOM 0 HZ2 LYS A 67 15.661 4.151 3.352 1.00 25.13 H new ATOM 0 HZ3 LYS A 67 14.777 4.210 1.904 1.00 25.13 H new ATOM 1073 N GLN A 68 9.566 1.459 6.183 1.00 44.14 N ATOM 1074 CA GLN A 68 9.067 0.222 6.772 1.00 42.40 C ATOM 1075 C GLN A 68 9.431 -0.979 5.906 1.00 70.12 C ATOM 1076 O GLN A 68 9.574 -0.860 4.688 1.00 21.34 O ATOM 1077 CB GLN A 68 7.550 0.295 6.953 1.00 21.11 C ATOM 1078 CG GLN A 68 7.085 1.535 7.700 1.00 21.51 C ATOM 1079 CD GLN A 68 7.862 1.770 8.980 1.00 3.31 C ATOM 1080 OE1 GLN A 68 8.254 0.825 9.665 1.00 11.13 O ATOM 1081 NE2 GLN A 68 8.090 3.036 9.310 1.00 42.30 N ATOM 0 H GLN A 68 9.349 1.572 5.193 1.00 44.14 H new ATOM 0 HA GLN A 68 9.537 0.098 7.748 1.00 42.40 H new ATOM 0 HB2 GLN A 68 7.074 0.272 5.973 1.00 21.11 H new ATOM 0 HB3 GLN A 68 7.214 -0.591 7.492 1.00 21.11 H new ATOM 0 HG2 GLN A 68 7.188 2.405 7.052 1.00 21.51 H new ATOM 0 HG3 GLN A 68 6.025 1.437 7.935 1.00 21.51 H new ATOM 0 HE21 GLN A 68 7.747 3.788 8.713 1.00 42.30 H new ATOM 0 HE22 GLN A 68 8.608 3.256 10.160 1.00 42.30 H new ATOM 1090 N THR A 69 9.580 -2.137 6.541 1.00 30.33 N ATOM 1091 CA THR A 69 9.929 -3.360 5.829 1.00 34.35 C ATOM 1092 C THR A 69 8.680 -4.125 5.405 1.00 13.43 C ATOM 1093 O THR A 69 7.569 -3.801 5.826 1.00 53.45 O ATOM 1094 CB THR A 69 10.811 -4.281 6.693 1.00 4.22 C ATOM 1095 OG1 THR A 69 10.021 -4.902 7.713 1.00 72.35 O ATOM 1096 CG2 THR A 69 11.947 -3.497 7.333 1.00 44.23 C ATOM 0 H THR A 69 9.464 -2.254 7.548 1.00 30.33 H new ATOM 0 HA THR A 69 10.488 -3.060 4.942 1.00 34.35 H new ATOM 0 HB THR A 69 11.237 -5.048 6.047 1.00 4.22 H new ATOM 0 HG1 THR A 69 10.589 -5.487 8.256 1.00 72.35 H new ATOM 0 HG21 THR A 69 12.556 -4.168 7.938 1.00 44.23 H new ATOM 0 HG22 THR A 69 12.564 -3.050 6.554 1.00 44.23 H new ATOM 0 HG23 THR A 69 11.535 -2.711 7.966 1.00 44.23 H new ATOM 1104 N PHE A 70 8.869 -5.141 4.571 1.00 72.42 N ATOM 1105 CA PHE A 70 7.757 -5.952 4.089 1.00 34.34 C ATOM 1106 C PHE A 70 7.049 -6.648 5.249 1.00 54.53 C ATOM 1107 O PHE A 70 5.840 -6.504 5.427 1.00 0.15 O ATOM 1108 CB PHE A 70 8.254 -6.992 3.083 1.00 31.44 C ATOM 1109 CG PHE A 70 7.321 -8.157 2.914 1.00 33.03 C ATOM 1110 CD1 PHE A 70 6.200 -8.052 2.106 1.00 22.41 C ATOM 1111 CD2 PHE A 70 7.564 -9.356 3.564 1.00 33.42 C ATOM 1112 CE1 PHE A 70 5.340 -9.122 1.948 1.00 34.40 C ATOM 1113 CE2 PHE A 70 6.707 -10.430 3.410 1.00 51.23 C ATOM 1114 CZ PHE A 70 5.593 -10.312 2.602 1.00 71.34 C ATOM 0 H PHE A 70 9.782 -5.423 4.214 1.00 72.42 H new ATOM 0 HA PHE A 70 7.045 -5.291 3.595 1.00 34.34 H new ATOM 0 HB2 PHE A 70 8.399 -6.510 2.116 1.00 31.44 H new ATOM 0 HB3 PHE A 70 9.228 -7.361 3.405 1.00 31.44 H new ATOM 0 HD1 PHE A 70 5.996 -7.123 1.594 1.00 22.41 H new ATOM 0 HD2 PHE A 70 8.433 -9.453 4.198 1.00 33.42 H new ATOM 0 HE1 PHE A 70 4.471 -9.028 1.314 1.00 34.40 H new ATOM 0 HE2 PHE A 70 6.908 -11.360 3.921 1.00 51.23 H new ATOM 0 HZ PHE A 70 4.921 -11.149 2.482 1.00 71.34 H new ATOM 1124 N ASN A 71 7.811 -7.402 6.033 1.00 5.01 N ATOM 1125 CA ASN A 71 7.258 -8.121 7.175 1.00 71.02 C ATOM 1126 C ASN A 71 6.672 -7.151 8.196 1.00 31.24 C ATOM 1127 O ASN A 71 5.624 -7.412 8.787 1.00 34.20 O ATOM 1128 CB ASN A 71 8.337 -8.982 7.834 1.00 63.55 C ATOM 1129 CG ASN A 71 7.826 -10.358 8.216 1.00 52.02 C ATOM 1130 OD1 ASN A 71 7.037 -10.502 9.150 1.00 54.53 O ATOM 1131 ND2 ASN A 71 8.275 -11.378 7.493 1.00 14.24 N ATOM 0 H ASN A 71 8.814 -7.531 5.899 1.00 5.01 H new ATOM 0 HA ASN A 71 6.458 -8.767 6.813 1.00 71.02 H new ATOM 0 HB2 ASN A 71 9.181 -9.087 7.152 1.00 63.55 H new ATOM 0 HB3 ASN A 71 8.708 -8.475 8.725 1.00 63.55 H new ATOM 0 HD21 ASN A 71 7.966 -12.327 7.703 1.00 14.24 H new ATOM 0 HD22 ASN A 71 8.928 -11.212 6.728 1.00 14.24 H new ATOM 1138 N LYS A 72 7.356 -6.030 8.400 1.00 74.14 N ATOM 1139 CA LYS A 72 6.903 -5.019 9.348 1.00 45.12 C ATOM 1140 C LYS A 72 5.585 -4.400 8.896 1.00 74.12 C ATOM 1141 O LYS A 72 4.632 -4.311 9.670 1.00 13.31 O ATOM 1142 CB LYS A 72 7.964 -3.927 9.505 1.00 41.14 C ATOM 1143 CG LYS A 72 7.481 -2.718 10.287 1.00 24.14 C ATOM 1144 CD LYS A 72 6.968 -3.113 11.662 1.00 54.41 C ATOM 1145 CE LYS A 72 6.419 -1.912 12.418 1.00 61.03 C ATOM 1146 NZ LYS A 72 7.495 -1.164 13.125 1.00 14.53 N ATOM 0 H LYS A 72 8.226 -5.799 7.921 1.00 74.14 H new ATOM 0 HA LYS A 72 6.744 -5.505 10.311 1.00 45.12 H new ATOM 0 HB2 LYS A 72 8.836 -4.348 10.006 1.00 41.14 H new ATOM 0 HB3 LYS A 72 8.289 -3.603 8.516 1.00 41.14 H new ATOM 0 HG2 LYS A 72 8.296 -2.003 10.393 1.00 24.14 H new ATOM 0 HG3 LYS A 72 6.688 -2.217 9.732 1.00 24.14 H new ATOM 0 HD2 LYS A 72 6.187 -3.867 11.558 1.00 54.41 H new ATOM 0 HD3 LYS A 72 7.775 -3.568 12.236 1.00 54.41 H new ATOM 0 HE2 LYS A 72 5.911 -1.245 11.721 1.00 61.03 H new ATOM 0 HE3 LYS A 72 5.674 -2.247 13.140 1.00 61.03 H new ATOM 0 HZ1 LYS A 72 7.081 -0.353 13.628 1.00 14.53 H new ATOM 0 HZ2 LYS A 72 7.964 -1.793 13.808 1.00 14.53 H new ATOM 0 HZ3 LYS A 72 8.193 -0.823 12.433 1.00 14.53 H new ATOM 1160 N VAL A 73 5.536 -3.975 7.637 1.00 31.41 N ATOM 1161 CA VAL A 73 4.333 -3.368 7.081 1.00 11.43 C ATOM 1162 C VAL A 73 3.122 -4.276 7.267 1.00 44.34 C ATOM 1163 O VAL A 73 1.984 -3.810 7.315 1.00 11.44 O ATOM 1164 CB VAL A 73 4.503 -3.056 5.582 1.00 15.05 C ATOM 1165 CG1 VAL A 73 3.162 -2.708 4.954 1.00 33.02 C ATOM 1166 CG2 VAL A 73 5.503 -1.927 5.383 1.00 31.33 C ATOM 0 H VAL A 73 6.316 -4.040 6.983 1.00 31.41 H new ATOM 0 HA VAL A 73 4.170 -2.436 7.622 1.00 11.43 H new ATOM 0 HB VAL A 73 4.890 -3.945 5.085 1.00 15.05 H new ATOM 0 HG11 VAL A 73 3.302 -2.491 3.895 1.00 33.02 H new ATOM 0 HG12 VAL A 73 2.479 -3.550 5.065 1.00 33.02 H new ATOM 0 HG13 VAL A 73 2.743 -1.833 5.452 1.00 33.02 H new ATOM 0 HG21 VAL A 73 5.611 -1.720 4.318 1.00 31.33 H new ATOM 0 HG22 VAL A 73 5.147 -1.032 5.893 1.00 31.33 H new ATOM 0 HG23 VAL A 73 6.469 -2.219 5.795 1.00 31.33 H new ATOM 1176 N LYS A 74 3.376 -5.576 7.370 1.00 54.02 N ATOM 1177 CA LYS A 74 2.308 -6.552 7.552 1.00 54.22 C ATOM 1178 C LYS A 74 1.590 -6.332 8.880 1.00 41.23 C ATOM 1179 O LYS A 74 0.521 -6.894 9.119 1.00 64.12 O ATOM 1180 CB LYS A 74 2.872 -7.973 7.494 1.00 22.13 C ATOM 1181 CG LYS A 74 3.585 -8.292 6.191 1.00 33.35 C ATOM 1182 CD LYS A 74 3.268 -9.699 5.713 1.00 22.30 C ATOM 1183 CE LYS A 74 2.423 -9.681 4.449 1.00 71.23 C ATOM 1184 NZ LYS A 74 1.246 -8.778 4.581 1.00 22.11 N ATOM 0 H LYS A 74 4.312 -5.978 7.331 1.00 54.02 H new ATOM 0 HA LYS A 74 1.588 -6.420 6.744 1.00 54.22 H new ATOM 0 HB2 LYS A 74 3.567 -8.113 8.322 1.00 22.13 H new ATOM 0 HB3 LYS A 74 2.058 -8.684 7.637 1.00 22.13 H new ATOM 0 HG2 LYS A 74 3.290 -7.572 5.428 1.00 33.35 H new ATOM 0 HG3 LYS A 74 4.661 -8.187 6.329 1.00 33.35 H new ATOM 0 HD2 LYS A 74 4.196 -10.238 5.524 1.00 22.30 H new ATOM 0 HD3 LYS A 74 2.739 -10.241 6.498 1.00 22.30 H new ATOM 0 HE2 LYS A 74 3.036 -9.358 3.607 1.00 71.23 H new ATOM 0 HE3 LYS A 74 2.082 -10.692 4.226 1.00 71.23 H new ATOM 0 HZ1 LYS A 74 0.413 -9.228 4.150 1.00 22.11 H new ATOM 0 HZ2 LYS A 74 1.059 -8.596 5.588 1.00 22.11 H new ATOM 0 HZ3 LYS A 74 1.443 -7.878 4.098 1.00 22.11 H new ATOM 1198 N TRP A 75 2.183 -5.511 9.738 1.00 3.53 N ATOM 1199 CA TRP A 75 1.599 -5.216 11.042 1.00 41.43 C ATOM 1200 C TRP A 75 0.334 -4.377 10.894 1.00 4.11 C ATOM 1201 O TRP A 75 -0.499 -4.329 11.799 1.00 73.30 O ATOM 1202 CB TRP A 75 2.612 -4.483 11.923 1.00 13.04 C ATOM 1203 CG TRP A 75 2.727 -3.022 11.608 1.00 72.30 C ATOM 1204 CD1 TRP A 75 2.735 -2.450 10.368 1.00 13.31 C ATOM 1205 CD2 TRP A 75 2.852 -1.950 12.548 1.00 5.12 C ATOM 1206 NE1 TRP A 75 2.858 -1.086 10.481 1.00 53.20 N ATOM 1207 CE2 TRP A 75 2.931 -0.754 11.808 1.00 51.11 C ATOM 1208 CE3 TRP A 75 2.904 -1.883 13.943 1.00 23.10 C ATOM 1209 CZ2 TRP A 75 3.059 0.491 12.417 1.00 4.34 C ATOM 1210 CZ3 TRP A 75 3.032 -0.646 14.546 1.00 22.54 C ATOM 1211 CH2 TRP A 75 3.108 0.527 13.785 1.00 52.15 C ATOM 0 H TRP A 75 3.068 -5.037 9.555 1.00 3.53 H new ATOM 0 HA TRP A 75 1.333 -6.161 11.516 1.00 41.43 H new ATOM 0 HB2 TRP A 75 2.326 -4.600 12.968 1.00 13.04 H new ATOM 0 HB3 TRP A 75 3.590 -4.950 11.806 1.00 13.04 H new ATOM 0 HD1 TRP A 75 2.656 -2.990 9.436 1.00 13.31 H new ATOM 0 HE1 TRP A 75 2.890 -0.427 9.703 1.00 53.20 H new ATOM 0 HE3 TRP A 75 2.845 -2.782 14.539 1.00 23.10 H new ATOM 0 HZ2 TRP A 75 3.118 1.397 11.831 1.00 4.34 H new ATOM 0 HZ3 TRP A 75 3.074 -0.583 15.623 1.00 22.54 H new ATOM 0 HH2 TRP A 75 3.207 1.478 14.287 1.00 52.15 H new ATOM 1222 N TYR A 76 0.198 -3.717 9.749 1.00 35.24 N ATOM 1223 CA TYR A 76 -0.965 -2.878 9.485 1.00 74.30 C ATOM 1224 C TYR A 76 -1.815 -3.463 8.361 1.00 63.24 C ATOM 1225 O TYR A 76 -3.029 -3.617 8.499 1.00 20.22 O ATOM 1226 CB TYR A 76 -0.525 -1.459 9.121 1.00 22.52 C ATOM 1227 CG TYR A 76 -0.691 -0.466 10.249 1.00 50.02 C ATOM 1228 CD1 TYR A 76 -1.821 -0.485 11.057 1.00 24.23 C ATOM 1229 CD2 TYR A 76 0.283 0.492 10.506 1.00 35.41 C ATOM 1230 CE1 TYR A 76 -1.977 0.421 12.088 1.00 2.20 C ATOM 1231 CE2 TYR A 76 0.135 1.401 11.536 1.00 65.03 C ATOM 1232 CZ TYR A 76 -0.996 1.362 12.323 1.00 11.04 C ATOM 1233 OH TYR A 76 -1.147 2.266 13.350 1.00 32.31 O ATOM 0 H TYR A 76 0.878 -3.747 8.989 1.00 35.24 H new ATOM 0 HA TYR A 76 -1.569 -2.842 10.392 1.00 74.30 H new ATOM 0 HB2 TYR A 76 0.521 -1.479 8.817 1.00 22.52 H new ATOM 0 HB3 TYR A 76 -1.101 -1.118 8.261 1.00 22.52 H new ATOM 0 HD1 TYR A 76 -2.591 -1.221 10.876 1.00 24.23 H new ATOM 0 HD2 TYR A 76 1.170 0.526 9.891 1.00 35.41 H new ATOM 0 HE1 TYR A 76 -2.862 0.393 12.707 1.00 2.20 H new ATOM 0 HE2 TYR A 76 0.902 2.138 11.724 1.00 65.03 H new ATOM 0 HH TYR A 76 -0.286 2.694 13.538 1.00 32.31 H new ATOM 1243 N LEU A 77 -1.167 -3.788 7.247 1.00 54.00 N ATOM 1244 CA LEU A 77 -1.861 -4.357 6.097 1.00 74.21 C ATOM 1245 C LEU A 77 -2.285 -5.796 6.374 1.00 64.21 C ATOM 1246 O LEU A 77 -3.062 -6.381 5.621 1.00 64.43 O ATOM 1247 CB LEU A 77 -0.964 -4.307 4.859 1.00 54.41 C ATOM 1248 CG LEU A 77 -0.545 -2.913 4.390 1.00 11.23 C ATOM 1249 CD1 LEU A 77 0.313 -3.006 3.138 1.00 24.35 C ATOM 1250 CD2 LEU A 77 -1.769 -2.045 4.136 1.00 1.24 C ATOM 0 H LEU A 77 -0.163 -3.667 7.116 1.00 54.00 H new ATOM 0 HA LEU A 77 -2.756 -3.763 5.914 1.00 74.21 H new ATOM 0 HB2 LEU A 77 -0.063 -4.886 5.064 1.00 54.41 H new ATOM 0 HB3 LEU A 77 -1.482 -4.804 4.039 1.00 54.41 H new ATOM 0 HG LEU A 77 0.048 -2.449 5.178 1.00 11.23 H new ATOM 0 HD11 LEU A 77 0.601 -2.004 2.819 1.00 24.35 H new ATOM 0 HD12 LEU A 77 1.208 -3.590 3.353 1.00 24.35 H new ATOM 0 HD13 LEU A 77 -0.254 -3.490 2.343 1.00 24.35 H new ATOM 0 HD21 LEU A 77 -1.452 -1.057 3.803 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -2.388 -2.506 3.366 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -2.345 -1.950 5.056 1.00 1.24 H new ATOM 1262 N GLY A 78 -1.769 -6.361 7.462 1.00 51.51 N ATOM 1263 CA GLY A 78 -2.107 -7.726 7.820 1.00 3.34 C ATOM 1264 C GLY A 78 -1.531 -8.739 6.851 1.00 2.12 C ATOM 1265 O GLY A 78 -1.296 -8.428 5.684 1.00 12.40 O ATOM 0 H GLY A 78 -1.123 -5.898 8.101 1.00 51.51 H new ATOM 0 HA2 GLY A 78 -1.738 -7.937 8.824 1.00 3.34 H new ATOM 0 HA3 GLY A 78 -3.191 -7.833 7.850 1.00 3.34 H new ATOM 1269 N ALA A 79 -1.301 -9.955 7.336 1.00 41.20 N ATOM 1270 CA ALA A 79 -0.749 -11.017 6.504 1.00 31.12 C ATOM 1271 C ALA A 79 -1.803 -11.572 5.551 1.00 3.45 C ATOM 1272 O ALA A 79 -1.478 -12.067 4.472 1.00 21.44 O ATOM 1273 CB ALA A 79 -0.184 -12.130 7.375 1.00 52.40 C ATOM 0 H ALA A 79 -1.488 -10.229 8.301 1.00 41.20 H new ATOM 0 HA ALA A 79 0.058 -10.594 5.905 1.00 31.12 H new ATOM 0 HB1 ALA A 79 0.225 -12.916 6.741 1.00 52.40 H new ATOM 0 HB2 ALA A 79 0.606 -11.729 8.011 1.00 52.40 H new ATOM 0 HB3 ALA A 79 -0.977 -12.542 7.998 1.00 52.40 H new ATOM 1279 N ARG A 80 -3.065 -11.485 5.958 1.00 72.24 N ATOM 1280 CA ARG A 80 -4.166 -11.980 5.140 1.00 32.43 C ATOM 1281 C ARG A 80 -4.114 -11.383 3.737 1.00 5.33 C ATOM 1282 O ARG A 80 -4.324 -12.082 2.746 1.00 62.14 O ATOM 1283 CB ARG A 80 -5.507 -11.648 5.798 1.00 70.33 C ATOM 1284 CG ARG A 80 -5.647 -12.199 7.208 1.00 40.34 C ATOM 1285 CD ARG A 80 -5.602 -13.719 7.219 1.00 4.32 C ATOM 1286 NE ARG A 80 -6.617 -14.303 6.348 1.00 73.32 N ATOM 1287 CZ ARG A 80 -6.741 -15.609 6.136 1.00 44.24 C ATOM 1288 NH1 ARG A 80 -5.916 -16.461 6.729 1.00 12.10 N ATOM 1289 NH2 ARG A 80 -7.690 -16.064 5.329 1.00 74.23 N ATOM 0 H ARG A 80 -3.350 -11.077 6.848 1.00 72.24 H new ATOM 0 HA ARG A 80 -4.066 -13.062 5.059 1.00 32.43 H new ATOM 0 HB2 ARG A 80 -5.630 -10.565 5.826 1.00 70.33 H new ATOM 0 HB3 ARG A 80 -6.313 -12.044 5.180 1.00 70.33 H new ATOM 0 HG2 ARG A 80 -4.847 -11.806 7.835 1.00 40.34 H new ATOM 0 HG3 ARG A 80 -6.588 -11.859 7.641 1.00 40.34 H new ATOM 0 HD2 ARG A 80 -4.615 -14.055 6.901 1.00 4.32 H new ATOM 0 HD3 ARG A 80 -5.748 -14.079 8.238 1.00 4.32 H new ATOM 0 HE ARG A 80 -7.267 -13.674 5.876 1.00 73.32 H new ATOM 0 HH11 ARG A 80 -5.184 -16.114 7.349 1.00 12.10 H new ATOM 0 HH12 ARG A 80 -6.013 -17.463 6.565 1.00 12.10 H new ATOM 0 HH21 ARG A 80 -8.326 -15.411 4.870 1.00 74.23 H new ATOM 0 HH22 ARG A 80 -7.784 -17.067 5.167 1.00 74.23 H new ATOM 1303 N CYS A 81 -3.832 -10.087 3.662 1.00 15.34 N ATOM 1304 CA CYS A 81 -3.754 -9.394 2.381 1.00 25.20 C ATOM 1305 C CYS A 81 -2.324 -9.396 1.849 1.00 10.13 C ATOM 1306 O CYS A 81 -1.383 -9.057 2.567 1.00 2.24 O ATOM 1307 CB CYS A 81 -4.256 -7.957 2.523 1.00 51.22 C ATOM 1308 SG CYS A 81 -5.807 -7.804 3.440 1.00 5.14 S ATOM 0 H CYS A 81 -3.654 -9.495 4.473 1.00 15.34 H new ATOM 0 HA CYS A 81 -4.388 -9.923 1.670 1.00 25.20 H new ATOM 0 HB2 CYS A 81 -3.491 -7.364 3.023 1.00 51.22 H new ATOM 0 HB3 CYS A 81 -4.391 -7.531 1.529 1.00 51.22 H new ATOM 0 HG CYS A 81 -6.118 -6.547 3.560 1.00 5.14 H new ATOM 1314 N HIS A 82 -2.168 -9.782 0.587 1.00 52.43 N ATOM 1315 CA HIS A 82 -0.853 -9.829 -0.041 1.00 43.35 C ATOM 1316 C HIS A 82 -0.342 -8.422 -0.338 1.00 64.13 C ATOM 1317 O HIS A 82 -1.026 -7.626 -0.982 1.00 2.01 O ATOM 1318 CB HIS A 82 -0.910 -10.646 -1.332 1.00 64.23 C ATOM 1319 CG HIS A 82 0.428 -11.144 -1.785 1.00 63.04 C ATOM 1320 ND1 HIS A 82 0.836 -12.453 -1.633 1.00 13.53 N ATOM 1321 CD2 HIS A 82 1.453 -10.501 -2.392 1.00 43.20 C ATOM 1322 CE1 HIS A 82 2.054 -12.592 -2.124 1.00 70.22 C ATOM 1323 NE2 HIS A 82 2.451 -11.423 -2.592 1.00 4.54 N ATOM 0 H HIS A 82 -2.936 -10.067 -0.021 1.00 52.43 H new ATOM 0 HA HIS A 82 -0.163 -10.308 0.653 1.00 43.35 H new ATOM 0 HB2 HIS A 82 -1.575 -11.497 -1.184 1.00 64.23 H new ATOM 0 HB3 HIS A 82 -1.347 -10.034 -2.121 1.00 64.23 H new ATOM 0 HD2 HIS A 82 1.481 -9.457 -2.668 1.00 43.20 H new ATOM 0 HE1 HIS A 82 2.628 -13.507 -2.140 1.00 70.22 H new ATOM 0 HE2 HIS A 82 3.352 -11.235 -3.031 1.00 4.54 H new ATOM 1331 N ILE A 83 0.863 -8.124 0.135 1.00 4.53 N ATOM 1332 CA ILE A 83 1.465 -6.814 -0.080 1.00 1.50 C ATOM 1333 C ILE A 83 2.682 -6.911 -0.994 1.00 1.03 C ATOM 1334 O ILE A 83 3.383 -7.922 -1.004 1.00 33.50 O ATOM 1335 CB ILE A 83 1.887 -6.162 1.250 1.00 31.24 C ATOM 1336 CG1 ILE A 83 2.975 -6.997 1.929 1.00 10.44 C ATOM 1337 CG2 ILE A 83 0.683 -6.004 2.168 1.00 45.14 C ATOM 1338 CD1 ILE A 83 3.544 -6.350 3.173 1.00 64.21 C ATOM 0 H ILE A 83 1.442 -8.772 0.670 1.00 4.53 H new ATOM 0 HA ILE A 83 0.705 -6.193 -0.555 1.00 1.50 H new ATOM 0 HB ILE A 83 2.292 -5.172 1.040 1.00 31.24 H new ATOM 0 HG12 ILE A 83 2.563 -7.971 2.192 1.00 10.44 H new ATOM 0 HG13 ILE A 83 3.783 -7.173 1.219 1.00 10.44 H new ATOM 0 HG21 ILE A 83 0.997 -5.542 3.104 1.00 45.14 H new ATOM 0 HG22 ILE A 83 -0.063 -5.373 1.684 1.00 45.14 H new ATOM 0 HG23 ILE A 83 0.251 -6.984 2.374 1.00 45.14 H new ATOM 0 HD11 ILE A 83 4.309 -6.997 3.602 1.00 64.21 H new ATOM 0 HD12 ILE A 83 3.986 -5.388 2.913 1.00 64.21 H new ATOM 0 HD13 ILE A 83 2.747 -6.198 3.901 1.00 64.21 H new ATOM 1350 N GLU A 84 2.928 -5.852 -1.758 1.00 53.52 N ATOM 1351 CA GLU A 84 4.061 -5.818 -2.675 1.00 24.13 C ATOM 1352 C GLU A 84 4.584 -4.394 -2.842 1.00 73.14 C ATOM 1353 O GLU A 84 3.910 -3.427 -2.486 1.00 71.21 O ATOM 1354 CB GLU A 84 3.662 -6.390 -4.036 1.00 72.15 C ATOM 1355 CG GLU A 84 4.725 -7.279 -4.659 1.00 45.32 C ATOM 1356 CD GLU A 84 4.243 -7.971 -5.919 1.00 32.10 C ATOM 1357 OE1 GLU A 84 3.120 -7.665 -6.372 1.00 43.00 O ATOM 1358 OE2 GLU A 84 4.989 -8.819 -6.452 1.00 33.42 O ATOM 0 H GLU A 84 2.358 -5.006 -1.760 1.00 53.52 H new ATOM 0 HA GLU A 84 4.857 -6.431 -2.251 1.00 24.13 H new ATOM 0 HB2 GLU A 84 2.742 -6.963 -3.924 1.00 72.15 H new ATOM 0 HB3 GLU A 84 3.444 -5.567 -4.717 1.00 72.15 H new ATOM 0 HG2 GLU A 84 5.604 -6.678 -4.893 1.00 45.32 H new ATOM 0 HG3 GLU A 84 5.036 -8.030 -3.933 1.00 45.32 H new ATOM 1365 N LYS A 85 5.790 -4.273 -3.387 1.00 14.11 N ATOM 1366 CA LYS A 85 6.404 -2.969 -3.603 1.00 43.45 C ATOM 1367 C LYS A 85 5.814 -2.287 -4.834 1.00 4.32 C ATOM 1368 O LYS A 85 5.687 -2.900 -5.893 1.00 54.42 O ATOM 1369 CB LYS A 85 7.919 -3.116 -3.766 1.00 72.20 C ATOM 1370 CG LYS A 85 8.322 -4.000 -4.934 1.00 11.21 C ATOM 1371 CD LYS A 85 9.820 -4.250 -4.952 1.00 65.34 C ATOM 1372 CE LYS A 85 10.136 -5.736 -5.029 1.00 63.15 C ATOM 1373 NZ LYS A 85 9.605 -6.352 -6.277 1.00 21.11 N ATOM 0 H LYS A 85 6.361 -5.063 -3.687 1.00 14.11 H new ATOM 0 HA LYS A 85 6.197 -2.349 -2.731 1.00 43.45 H new ATOM 0 HB2 LYS A 85 8.359 -2.128 -3.900 1.00 72.20 H new ATOM 0 HB3 LYS A 85 8.336 -3.529 -2.848 1.00 72.20 H new ATOM 0 HG2 LYS A 85 7.794 -4.951 -4.871 1.00 11.21 H new ATOM 0 HG3 LYS A 85 8.019 -3.529 -5.869 1.00 11.21 H new ATOM 0 HD2 LYS A 85 10.265 -3.738 -5.805 1.00 65.34 H new ATOM 0 HD3 LYS A 85 10.271 -3.827 -4.055 1.00 65.34 H new ATOM 0 HE2 LYS A 85 11.215 -5.881 -4.983 1.00 63.15 H new ATOM 0 HE3 LYS A 85 9.710 -6.243 -4.164 1.00 63.15 H new ATOM 0 HZ1 LYS A 85 10.047 -7.283 -6.420 1.00 21.11 H new ATOM 0 HZ2 LYS A 85 8.574 -6.467 -6.196 1.00 21.11 H new ATOM 0 HZ3 LYS A 85 9.823 -5.737 -7.087 1.00 21.11 H new ATOM 1387 N ALA A 86 5.458 -1.015 -4.686 1.00 40.11 N ATOM 1388 CA ALA A 86 4.885 -0.249 -5.786 1.00 63.33 C ATOM 1389 C ALA A 86 5.974 0.452 -6.592 1.00 15.10 C ATOM 1390 O ALA A 86 7.079 0.677 -6.099 1.00 30.45 O ATOM 1391 CB ALA A 86 3.881 0.764 -5.258 1.00 2.24 C ATOM 0 H ALA A 86 5.556 -0.493 -3.815 1.00 40.11 H new ATOM 0 HA ALA A 86 4.368 -0.943 -6.449 1.00 63.33 H new ATOM 0 HB1 ALA A 86 3.461 1.329 -6.091 1.00 2.24 H new ATOM 0 HB2 ALA A 86 3.080 0.243 -4.733 1.00 2.24 H new ATOM 0 HB3 ALA A 86 4.381 1.448 -4.571 1.00 2.24 H new ATOM 1397 N LYS A 87 5.654 0.796 -7.835 1.00 62.21 N ATOM 1398 CA LYS A 87 6.604 1.473 -8.710 1.00 71.43 C ATOM 1399 C LYS A 87 5.885 2.426 -9.660 1.00 21.32 C ATOM 1400 O LYS A 87 4.791 2.132 -10.139 1.00 14.15 O ATOM 1401 CB LYS A 87 7.409 0.448 -9.512 1.00 64.14 C ATOM 1402 CG LYS A 87 6.618 -0.206 -10.632 1.00 43.11 C ATOM 1403 CD LYS A 87 6.831 -1.710 -10.661 1.00 23.13 C ATOM 1404 CE LYS A 87 7.946 -2.097 -11.621 1.00 34.11 C ATOM 1405 NZ LYS A 87 8.447 -3.475 -11.362 1.00 73.45 N ATOM 0 H LYS A 87 4.744 0.617 -8.259 1.00 62.21 H new ATOM 0 HA LYS A 87 7.284 2.054 -8.087 1.00 71.43 H new ATOM 0 HB2 LYS A 87 8.285 0.938 -9.936 1.00 64.14 H new ATOM 0 HB3 LYS A 87 7.772 -0.326 -8.836 1.00 64.14 H new ATOM 0 HG2 LYS A 87 5.557 0.010 -10.503 1.00 43.11 H new ATOM 0 HG3 LYS A 87 6.917 0.223 -11.588 1.00 43.11 H new ATOM 0 HD2 LYS A 87 7.073 -2.064 -9.659 1.00 23.13 H new ATOM 0 HD3 LYS A 87 5.906 -2.204 -10.958 1.00 23.13 H new ATOM 0 HE2 LYS A 87 7.582 -2.030 -12.646 1.00 34.11 H new ATOM 0 HE3 LYS A 87 8.768 -1.388 -11.527 1.00 34.11 H new ATOM 0 HZ1 LYS A 87 9.206 -3.701 -12.037 1.00 73.45 H new ATOM 0 HZ2 LYS A 87 8.818 -3.533 -10.392 1.00 73.45 H new ATOM 0 HZ3 LYS A 87 7.668 -4.155 -11.476 1.00 73.45 H new ATOM 1419 N GLY A 88 6.509 3.568 -9.929 1.00 44.41 N ATOM 1420 CA GLY A 88 5.915 4.546 -10.821 1.00 53.24 C ATOM 1421 C GLY A 88 5.710 5.891 -10.154 1.00 14.43 C ATOM 1422 O GLY A 88 6.010 6.059 -8.971 1.00 73.00 O ATOM 0 H GLY A 88 7.416 3.834 -9.545 1.00 44.41 H new ATOM 0 HA2 GLY A 88 6.554 4.671 -11.695 1.00 53.24 H new ATOM 0 HA3 GLY A 88 4.956 4.171 -11.179 1.00 53.24 H new ATOM 1426 N THR A 89 5.198 6.855 -10.913 1.00 12.52 N ATOM 1427 CA THR A 89 4.956 8.194 -10.389 1.00 33.33 C ATOM 1428 C THR A 89 3.626 8.261 -9.646 1.00 41.01 C ATOM 1429 O THR A 89 2.861 7.296 -9.634 1.00 44.31 O ATOM 1430 CB THR A 89 4.956 9.246 -11.513 1.00 44.14 C ATOM 1431 OG1 THR A 89 3.757 9.136 -12.288 1.00 11.31 O ATOM 1432 CG2 THR A 89 6.167 9.071 -12.417 1.00 44.43 C ATOM 0 H THR A 89 4.943 6.733 -11.893 1.00 12.52 H new ATOM 0 HA THR A 89 5.768 8.414 -9.696 1.00 33.33 H new ATOM 0 HB THR A 89 5.003 10.234 -11.055 1.00 44.14 H new ATOM 0 HG1 THR A 89 3.764 9.810 -13.000 1.00 11.31 H new ATOM 0 HG21 THR A 89 6.146 9.825 -13.204 1.00 44.43 H new ATOM 0 HG22 THR A 89 7.079 9.184 -11.830 1.00 44.43 H new ATOM 0 HG23 THR A 89 6.146 8.078 -12.866 1.00 44.43 H new ATOM 1440 N ASP A 90 3.356 9.406 -9.028 1.00 64.33 N ATOM 1441 CA ASP A 90 2.117 9.599 -8.284 1.00 42.43 C ATOM 1442 C ASP A 90 0.905 9.301 -9.161 1.00 12.41 C ATOM 1443 O ASP A 90 -0.068 8.699 -8.707 1.00 25.13 O ATOM 1444 CB ASP A 90 2.036 11.030 -7.750 1.00 44.30 C ATOM 1445 CG ASP A 90 1.848 12.051 -8.855 1.00 1.00 C ATOM 1446 OD1 ASP A 90 2.686 12.086 -9.781 1.00 21.54 O ATOM 1447 OD2 ASP A 90 0.862 12.815 -8.795 1.00 22.13 O ATOM 0 H ASP A 90 3.978 10.214 -9.028 1.00 64.33 H new ATOM 0 HA ASP A 90 2.114 8.905 -7.444 1.00 42.43 H new ATOM 0 HB2 ASP A 90 1.208 11.105 -7.045 1.00 44.30 H new ATOM 0 HB3 ASP A 90 2.947 11.261 -7.197 1.00 44.30 H new ATOM 1452 N GLN A 91 0.970 9.728 -10.418 1.00 4.42 N ATOM 1453 CA GLN A 91 -0.123 9.508 -11.357 1.00 12.42 C ATOM 1454 C GLN A 91 -0.241 8.032 -11.719 1.00 30.41 C ATOM 1455 O GLN A 91 -1.342 7.516 -11.908 1.00 33.12 O ATOM 1456 CB GLN A 91 0.088 10.341 -12.623 1.00 23.24 C ATOM 1457 CG GLN A 91 -1.074 10.269 -13.599 1.00 73.24 C ATOM 1458 CD GLN A 91 -2.366 10.800 -13.009 1.00 60.35 C ATOM 1459 OE1 GLN A 91 -2.355 11.709 -12.179 1.00 31.20 O ATOM 1460 NE2 GLN A 91 -3.489 10.234 -13.437 1.00 23.25 N ATOM 0 H GLN A 91 1.768 10.228 -10.809 1.00 4.42 H new ATOM 0 HA GLN A 91 -1.050 9.820 -10.876 1.00 12.42 H new ATOM 0 HB2 GLN A 91 0.250 11.381 -12.341 1.00 23.24 H new ATOM 0 HB3 GLN A 91 0.994 10.002 -13.124 1.00 23.24 H new ATOM 0 HG2 GLN A 91 -0.827 10.839 -14.495 1.00 73.24 H new ATOM 0 HG3 GLN A 91 -1.219 9.234 -13.909 1.00 73.24 H new ATOM 0 HE21 GLN A 91 -3.451 9.483 -14.126 1.00 23.25 H new ATOM 0 HE22 GLN A 91 -4.389 10.550 -13.076 1.00 23.25 H new ATOM 1469 N GLN A 92 0.901 7.358 -11.814 1.00 73.13 N ATOM 1470 CA GLN A 92 0.924 5.940 -12.155 1.00 44.30 C ATOM 1471 C GLN A 92 0.234 5.110 -11.078 1.00 61.10 C ATOM 1472 O GLN A 92 -0.505 4.174 -11.381 1.00 2.23 O ATOM 1473 CB GLN A 92 2.366 5.462 -12.339 1.00 12.43 C ATOM 1474 CG GLN A 92 2.778 5.317 -13.795 1.00 12.33 C ATOM 1475 CD GLN A 92 3.552 4.041 -14.058 1.00 24.13 C ATOM 1476 OE1 GLN A 92 2.969 2.996 -14.347 1.00 64.32 O ATOM 1477 NE2 GLN A 92 4.874 4.119 -13.958 1.00 43.23 N ATOM 0 H GLN A 92 1.821 7.770 -11.660 1.00 73.13 H new ATOM 0 HA GLN A 92 0.382 5.808 -13.092 1.00 44.30 H new ATOM 0 HB2 GLN A 92 3.039 6.165 -11.848 1.00 12.43 H new ATOM 0 HB3 GLN A 92 2.488 4.502 -11.838 1.00 12.43 H new ATOM 0 HG2 GLN A 92 1.888 5.334 -14.424 1.00 12.33 H new ATOM 0 HG3 GLN A 92 3.388 6.173 -14.083 1.00 12.33 H new ATOM 0 HE21 GLN A 92 5.316 5.006 -13.716 1.00 43.23 H new ATOM 0 HE22 GLN A 92 5.448 3.292 -14.123 1.00 43.23 H new ATOM 1486 N ASN A 93 0.481 5.459 -9.820 1.00 10.14 N ATOM 1487 CA ASN A 93 -0.116 4.745 -8.697 1.00 74.10 C ATOM 1488 C ASN A 93 -1.578 5.144 -8.514 1.00 64.42 C ATOM 1489 O ASN A 93 -2.448 4.291 -8.334 1.00 43.33 O ATOM 1490 CB ASN A 93 0.665 5.027 -7.412 1.00 64.33 C ATOM 1491 CG ASN A 93 1.955 4.233 -7.335 1.00 3.14 C ATOM 1492 OD1 ASN A 93 2.696 4.199 -8.436 1.00 44.54 O flip ATOM 1493 ND2 ASN A 93 2.281 3.657 -6.296 1.00 43.51 N flip ATOM 0 H ASN A 93 1.090 6.232 -9.552 1.00 10.14 H new ATOM 0 HA ASN A 93 -0.073 3.678 -8.914 1.00 74.10 H new ATOM 0 HB2 ASN A 93 0.892 6.091 -7.354 1.00 64.33 H new ATOM 0 HB3 ASN A 93 0.042 4.787 -6.551 1.00 64.33 H new ATOM 0 HD21 ASN A 93 1.680 3.710 -5.473 1.00 43.51 H new ATOM 0 HD22 ASN A 93 3.152 3.127 -6.258 1.00 43.51 H new ATOM 1500 N LYS A 94 -1.840 6.445 -8.562 1.00 55.22 N ATOM 1501 CA LYS A 94 -3.196 6.959 -8.404 1.00 61.11 C ATOM 1502 C LYS A 94 -4.106 6.444 -9.515 1.00 2.11 C ATOM 1503 O LYS A 94 -5.237 6.032 -9.261 1.00 52.31 O ATOM 1504 CB LYS A 94 -3.187 8.489 -8.406 1.00 2.21 C ATOM 1505 CG LYS A 94 -4.562 9.106 -8.220 1.00 74.23 C ATOM 1506 CD LYS A 94 -4.469 10.543 -7.735 1.00 24.55 C ATOM 1507 CE LYS A 94 -5.555 11.411 -8.350 1.00 10.01 C ATOM 1508 NZ LYS A 94 -5.227 12.860 -8.254 1.00 52.51 N ATOM 0 H LYS A 94 -1.131 7.164 -8.709 1.00 55.22 H new ATOM 0 HA LYS A 94 -3.583 6.605 -7.448 1.00 61.11 H new ATOM 0 HB2 LYS A 94 -2.530 8.841 -7.611 1.00 2.21 H new ATOM 0 HB3 LYS A 94 -2.765 8.840 -9.348 1.00 2.21 H new ATOM 0 HG2 LYS A 94 -5.106 9.074 -9.164 1.00 74.23 H new ATOM 0 HG3 LYS A 94 -5.132 8.516 -7.503 1.00 74.23 H new ATOM 0 HD2 LYS A 94 -4.554 10.567 -6.649 1.00 24.55 H new ATOM 0 HD3 LYS A 94 -3.490 10.950 -7.987 1.00 24.55 H new ATOM 0 HE2 LYS A 94 -5.689 11.138 -9.397 1.00 10.01 H new ATOM 0 HE3 LYS A 94 -6.502 11.219 -7.846 1.00 10.01 H new ATOM 0 HZ1 LYS A 94 -5.992 13.418 -8.684 1.00 52.51 H new ATOM 0 HZ2 LYS A 94 -5.124 13.127 -7.254 1.00 52.51 H new ATOM 0 HZ3 LYS A 94 -4.336 13.048 -8.756 1.00 52.51 H new ATOM 1522 N GLU A 95 -3.603 6.470 -10.745 1.00 60.33 N ATOM 1523 CA GLU A 95 -4.372 6.005 -11.894 1.00 22.43 C ATOM 1524 C GLU A 95 -4.521 4.486 -11.870 1.00 10.13 C ATOM 1525 O GLU A 95 -5.574 3.950 -12.214 1.00 73.50 O ATOM 1526 CB GLU A 95 -3.699 6.441 -13.197 1.00 2.33 C ATOM 1527 CG GLU A 95 -4.485 6.070 -14.442 1.00 75.44 C ATOM 1528 CD GLU A 95 -3.982 4.795 -15.091 1.00 72.23 C ATOM 1529 OE1 GLU A 95 -2.972 4.859 -15.822 1.00 40.33 O ATOM 1530 OE2 GLU A 95 -4.599 3.732 -14.867 1.00 53.34 O ATOM 0 H GLU A 95 -2.668 6.808 -10.972 1.00 60.33 H new ATOM 0 HA GLU A 95 -5.365 6.452 -11.839 1.00 22.43 H new ATOM 0 HB2 GLU A 95 -3.554 7.521 -13.177 1.00 2.33 H new ATOM 0 HB3 GLU A 95 -2.709 5.988 -13.254 1.00 2.33 H new ATOM 0 HG2 GLU A 95 -5.536 5.950 -14.181 1.00 75.44 H new ATOM 0 HG3 GLU A 95 -4.426 6.887 -15.161 1.00 75.44 H new ATOM 1537 N TYR A 96 -3.460 3.800 -11.461 1.00 65.14 N ATOM 1538 CA TYR A 96 -3.470 2.343 -11.395 1.00 13.40 C ATOM 1539 C TYR A 96 -4.607 1.847 -10.507 1.00 74.12 C ATOM 1540 O TYR A 96 -5.343 0.931 -10.876 1.00 73.31 O ATOM 1541 CB TYR A 96 -2.132 1.826 -10.865 1.00 42.14 C ATOM 1542 CG TYR A 96 -2.108 0.332 -10.635 1.00 15.04 C ATOM 1543 CD1 TYR A 96 -2.526 -0.210 -9.425 1.00 65.31 C ATOM 1544 CD2 TYR A 96 -1.669 -0.537 -11.625 1.00 63.22 C ATOM 1545 CE1 TYR A 96 -2.505 -1.575 -9.209 1.00 54.34 C ATOM 1546 CE2 TYR A 96 -1.647 -1.903 -11.419 1.00 5.12 C ATOM 1547 CZ TYR A 96 -2.066 -2.417 -10.209 1.00 44.23 C ATOM 1548 OH TYR A 96 -2.044 -3.777 -9.999 1.00 43.43 O ATOM 0 H TYR A 96 -2.582 4.229 -11.170 1.00 65.14 H new ATOM 0 HA TYR A 96 -3.626 1.960 -12.403 1.00 13.40 H new ATOM 0 HB2 TYR A 96 -1.345 2.089 -11.572 1.00 42.14 H new ATOM 0 HB3 TYR A 96 -1.902 2.333 -9.928 1.00 42.14 H new ATOM 0 HD1 TYR A 96 -2.873 0.446 -8.641 1.00 65.31 H new ATOM 0 HD2 TYR A 96 -1.339 -0.138 -12.573 1.00 63.22 H new ATOM 0 HE1 TYR A 96 -2.831 -1.980 -8.262 1.00 54.34 H new ATOM 0 HE2 TYR A 96 -1.304 -2.565 -12.201 1.00 5.12 H new ATOM 0 HH TYR A 96 -1.709 -4.227 -10.803 1.00 43.43 H new ATOM 1558 N CYS A 97 -4.745 2.458 -9.336 1.00 42.51 N ATOM 1559 CA CYS A 97 -5.792 2.080 -8.394 1.00 21.21 C ATOM 1560 C CYS A 97 -7.170 2.438 -8.940 1.00 72.32 C ATOM 1561 O CYS A 97 -8.145 1.722 -8.710 1.00 51.13 O ATOM 1562 CB CYS A 97 -5.569 2.769 -7.047 1.00 42.42 C ATOM 1563 SG CYS A 97 -3.995 2.358 -6.259 1.00 24.32 S ATOM 0 H CYS A 97 -4.145 3.218 -9.016 1.00 42.51 H new ATOM 0 HA CYS A 97 -5.746 1.000 -8.253 1.00 21.21 H new ATOM 0 HB2 CYS A 97 -5.620 3.848 -7.190 1.00 42.42 H new ATOM 0 HB3 CYS A 97 -6.382 2.498 -6.373 1.00 42.42 H new ATOM 0 HG CYS A 97 -3.031 2.991 -6.859 1.00 24.32 H new ATOM 1569 N SER A 98 -7.244 3.551 -9.663 1.00 62.42 N ATOM 1570 CA SER A 98 -8.504 4.007 -10.238 1.00 20.12 C ATOM 1571 C SER A 98 -8.846 3.215 -11.496 1.00 62.40 C ATOM 1572 O SER A 98 -9.968 3.279 -11.999 1.00 45.24 O ATOM 1573 CB SER A 98 -8.428 5.499 -10.566 1.00 14.30 C ATOM 1574 OG SER A 98 -9.719 6.036 -10.798 1.00 11.42 O ATOM 0 H SER A 98 -6.446 4.154 -9.864 1.00 62.42 H new ATOM 0 HA SER A 98 -9.291 3.843 -9.502 1.00 20.12 H new ATOM 0 HB2 SER A 98 -7.951 6.032 -9.743 1.00 14.30 H new ATOM 0 HB3 SER A 98 -7.804 5.650 -11.447 1.00 14.30 H new ATOM 0 HG SER A 98 -10.276 5.366 -11.246 1.00 11.42 H new ATOM 1580 N LYS A 99 -7.870 2.467 -12.000 1.00 30.53 N ATOM 1581 CA LYS A 99 -8.065 1.659 -13.198 1.00 41.53 C ATOM 1582 C LYS A 99 -9.220 0.681 -13.013 1.00 70.42 C ATOM 1583 O LYS A 99 -9.814 0.217 -13.986 1.00 63.12 O ATOM 1584 CB LYS A 99 -6.784 0.894 -13.537 1.00 5.50 C ATOM 1585 CG LYS A 99 -6.893 0.051 -14.796 1.00 11.35 C ATOM 1586 CD LYS A 99 -6.681 -1.424 -14.499 1.00 2.32 C ATOM 1587 CE LYS A 99 -5.293 -1.685 -13.934 1.00 43.53 C ATOM 1588 NZ LYS A 99 -4.227 -1.088 -14.786 1.00 65.30 N ATOM 0 H LYS A 99 -6.935 2.404 -11.597 1.00 30.53 H new ATOM 0 HA LYS A 99 -8.309 2.330 -14.022 1.00 41.53 H new ATOM 0 HB2 LYS A 99 -5.967 1.605 -13.656 1.00 5.50 H new ATOM 0 HB3 LYS A 99 -6.524 0.248 -12.699 1.00 5.50 H new ATOM 0 HG2 LYS A 99 -7.875 0.195 -15.247 1.00 11.35 H new ATOM 0 HG3 LYS A 99 -6.155 0.386 -15.525 1.00 11.35 H new ATOM 0 HD2 LYS A 99 -7.434 -1.765 -13.789 1.00 2.32 H new ATOM 0 HD3 LYS A 99 -6.818 -2.003 -15.412 1.00 2.32 H new ATOM 0 HE2 LYS A 99 -5.227 -1.272 -12.927 1.00 43.53 H new ATOM 0 HE3 LYS A 99 -5.131 -2.760 -13.849 1.00 43.53 H new ATOM 0 HZ1 LYS A 99 -3.301 -1.466 -14.500 1.00 65.30 H new ATOM 0 HZ2 LYS A 99 -4.405 -1.326 -15.783 1.00 65.30 H new ATOM 0 HZ3 LYS A 99 -4.229 -0.054 -14.671 1.00 65.30 H new ATOM 1602 N GLU A 100 -9.534 0.372 -11.759 1.00 4.44 N ATOM 1603 CA GLU A 100 -10.619 -0.551 -11.448 1.00 5.11 C ATOM 1604 C GLU A 100 -11.975 0.096 -11.711 1.00 35.14 C ATOM 1605 O GLU A 100 -12.989 -0.590 -11.833 1.00 32.30 O ATOM 1606 CB GLU A 100 -10.531 -1.003 -9.989 1.00 22.32 C ATOM 1607 CG GLU A 100 -9.131 -1.409 -9.561 1.00 24.54 C ATOM 1608 CD GLU A 100 -8.472 -2.357 -10.544 1.00 21.52 C ATOM 1609 OE1 GLU A 100 -9.192 -3.182 -11.145 1.00 40.24 O ATOM 1610 OE2 GLU A 100 -7.237 -2.276 -10.712 1.00 13.45 O ATOM 0 H GLU A 100 -9.052 0.747 -10.942 1.00 4.44 H new ATOM 0 HA GLU A 100 -10.519 -1.421 -12.097 1.00 5.11 H new ATOM 0 HB2 GLU A 100 -10.878 -0.195 -9.345 1.00 22.32 H new ATOM 0 HB3 GLU A 100 -11.207 -1.845 -9.837 1.00 22.32 H new ATOM 0 HG2 GLU A 100 -8.515 -0.516 -9.454 1.00 24.54 H new ATOM 0 HG3 GLU A 100 -9.178 -1.883 -8.581 1.00 24.54 H new ATOM 1617 N GLY A 101 -11.986 1.423 -11.795 1.00 63.24 N ATOM 1618 CA GLY A 101 -13.222 2.141 -12.042 1.00 74.11 C ATOM 1619 C GLY A 101 -14.031 2.354 -10.778 1.00 34.40 C ATOM 1620 O GLY A 101 -15.079 2.998 -10.805 1.00 2.33 O ATOM 0 H GLY A 101 -11.160 2.013 -11.696 1.00 63.24 H new ATOM 0 HA2 GLY A 101 -12.994 3.108 -12.491 1.00 74.11 H new ATOM 0 HA3 GLY A 101 -13.822 1.588 -12.765 1.00 74.11 H new ATOM 1624 N ASN A 102 -13.545 1.809 -9.667 1.00 73.35 N ATOM 1625 CA ASN A 102 -14.232 1.940 -8.388 1.00 1.34 C ATOM 1626 C ASN A 102 -13.252 2.318 -7.281 1.00 10.40 C ATOM 1627 O ASN A 102 -12.262 1.624 -7.049 1.00 64.44 O ATOM 1628 CB ASN A 102 -14.943 0.634 -8.030 1.00 31.30 C ATOM 1629 CG ASN A 102 -16.433 0.825 -7.821 1.00 21.20 C ATOM 1630 OD1 ASN A 102 -17.147 1.258 -8.725 1.00 52.21 O ATOM 1631 ND2 ASN A 102 -16.909 0.501 -6.624 1.00 44.41 N ATOM 0 H ASN A 102 -12.678 1.273 -9.627 1.00 73.35 H new ATOM 0 HA ASN A 102 -14.972 2.734 -8.482 1.00 1.34 H new ATOM 0 HB2 ASN A 102 -14.781 -0.094 -8.825 1.00 31.30 H new ATOM 0 HB3 ASN A 102 -14.502 0.220 -7.123 1.00 31.30 H new ATOM 0 HD21 ASN A 102 -17.904 0.608 -6.425 1.00 44.41 H new ATOM 0 HD22 ASN A 102 -16.280 0.146 -5.904 1.00 44.41 H new ATOM 1638 N LEU A 103 -13.535 3.423 -6.600 1.00 12.22 N ATOM 1639 CA LEU A 103 -12.680 3.894 -5.516 1.00 43.32 C ATOM 1640 C LEU A 103 -13.221 3.448 -4.162 1.00 11.23 C ATOM 1641 O LEU A 103 -14.402 3.629 -3.863 1.00 53.21 O ATOM 1642 CB LEU A 103 -12.566 5.419 -5.556 1.00 12.33 C ATOM 1643 CG LEU A 103 -11.175 5.981 -5.850 1.00 1.44 C ATOM 1644 CD1 LEU A 103 -10.253 5.776 -4.657 1.00 73.44 C ATOM 1645 CD2 LEU A 103 -10.590 5.333 -7.096 1.00 52.41 C ATOM 0 H LEU A 103 -14.350 4.010 -6.779 1.00 12.22 H new ATOM 0 HA LEU A 103 -11.690 3.458 -5.652 1.00 43.32 H new ATOM 0 HB2 LEU A 103 -13.255 5.795 -6.312 1.00 12.33 H new ATOM 0 HB3 LEU A 103 -12.900 5.813 -4.596 1.00 12.33 H new ATOM 0 HG LEU A 103 -11.268 7.052 -6.032 1.00 1.44 H new ATOM 0 HD11 LEU A 103 -9.268 6.182 -4.885 1.00 73.44 H new ATOM 0 HD12 LEU A 103 -10.664 6.288 -3.787 1.00 73.44 H new ATOM 0 HD13 LEU A 103 -10.166 4.711 -4.443 1.00 73.44 H new ATOM 0 HD21 LEU A 103 -9.600 5.745 -7.290 1.00 52.41 H new ATOM 0 HD22 LEU A 103 -10.511 4.257 -6.944 1.00 52.41 H new ATOM 0 HD23 LEU A 103 -11.239 5.532 -7.949 1.00 52.41 H new ATOM 1657 N LEU A 104 -12.350 2.866 -3.345 1.00 0.52 N ATOM 1658 CA LEU A 104 -12.740 2.396 -2.020 1.00 3.30 C ATOM 1659 C LEU A 104 -12.364 3.415 -0.948 1.00 65.54 C ATOM 1660 O LEU A 104 -12.977 3.464 0.117 1.00 12.12 O ATOM 1661 CB LEU A 104 -12.075 1.052 -1.718 1.00 43.12 C ATOM 1662 CG LEU A 104 -12.362 0.456 -0.340 1.00 71.50 C ATOM 1663 CD1 LEU A 104 -13.860 0.397 -0.086 1.00 33.34 C ATOM 1664 CD2 LEU A 104 -11.744 -0.930 -0.219 1.00 50.21 C ATOM 0 H LEU A 104 -11.369 2.708 -3.577 1.00 0.52 H new ATOM 0 HA LEU A 104 -13.823 2.269 -2.011 1.00 3.30 H new ATOM 0 HB2 LEU A 104 -12.391 0.335 -2.475 1.00 43.12 H new ATOM 0 HB3 LEU A 104 -10.997 1.171 -1.823 1.00 43.12 H new ATOM 0 HG LEU A 104 -11.911 1.100 0.415 1.00 71.50 H new ATOM 0 HD11 LEU A 104 -14.045 -0.030 0.900 1.00 33.34 H new ATOM 0 HD12 LEU A 104 -14.276 1.403 -0.130 1.00 33.34 H new ATOM 0 HD13 LEU A 104 -14.334 -0.225 -0.846 1.00 33.34 H new ATOM 0 HD21 LEU A 104 -11.958 -1.339 0.768 1.00 50.21 H new ATOM 0 HD22 LEU A 104 -12.166 -1.584 -0.982 1.00 50.21 H new ATOM 0 HD23 LEU A 104 -10.665 -0.861 -0.357 1.00 50.21 H new ATOM 1676 N MET A 105 -11.352 4.226 -1.240 1.00 15.42 N ATOM 1677 CA MET A 105 -10.897 5.246 -0.302 1.00 51.20 C ATOM 1678 C MET A 105 -9.992 6.258 -0.997 1.00 0.41 C ATOM 1679 O MET A 105 -9.124 5.888 -1.787 1.00 55.11 O ATOM 1680 CB MET A 105 -10.154 4.598 0.868 1.00 42.42 C ATOM 1681 CG MET A 105 -9.227 5.553 1.602 1.00 11.45 C ATOM 1682 SD MET A 105 -9.159 5.229 3.375 1.00 65.02 S ATOM 1683 CE MET A 105 -7.654 4.264 3.484 1.00 22.33 C ATOM 0 H MET A 105 -10.832 4.197 -2.117 1.00 15.42 H new ATOM 0 HA MET A 105 -11.773 5.771 0.080 1.00 51.20 H new ATOM 0 HB2 MET A 105 -10.882 4.197 1.573 1.00 42.42 H new ATOM 0 HB3 MET A 105 -9.573 3.754 0.496 1.00 42.42 H new ATOM 0 HG2 MET A 105 -8.224 5.473 1.183 1.00 11.45 H new ATOM 0 HG3 MET A 105 -9.561 6.577 1.436 1.00 11.45 H new ATOM 0 HE1 MET A 105 -7.291 4.271 4.512 1.00 22.33 H new ATOM 0 HE2 MET A 105 -7.857 3.238 3.178 1.00 22.33 H new ATOM 0 HE3 MET A 105 -6.897 4.695 2.829 1.00 22.33 H new ATOM 1693 N GLU A 106 -10.201 7.537 -0.697 1.00 21.41 N ATOM 1694 CA GLU A 106 -9.404 8.601 -1.295 1.00 5.03 C ATOM 1695 C GLU A 106 -8.906 9.572 -0.228 1.00 42.43 C ATOM 1696 O GLU A 106 -9.673 10.378 0.299 1.00 13.42 O ATOM 1697 CB GLU A 106 -10.223 9.355 -2.344 1.00 73.20 C ATOM 1698 CG GLU A 106 -9.380 10.200 -3.283 1.00 43.14 C ATOM 1699 CD GLU A 106 -10.054 11.506 -3.657 1.00 43.11 C ATOM 1700 OE1 GLU A 106 -10.242 12.354 -2.759 1.00 74.44 O ATOM 1701 OE2 GLU A 106 -10.392 11.681 -4.846 1.00 75.42 O ATOM 0 H GLU A 106 -10.915 7.860 -0.044 1.00 21.41 H new ATOM 0 HA GLU A 106 -8.540 8.145 -1.779 1.00 5.03 H new ATOM 0 HB2 GLU A 106 -10.796 8.637 -2.931 1.00 73.20 H new ATOM 0 HB3 GLU A 106 -10.942 9.998 -1.837 1.00 73.20 H new ATOM 0 HG2 GLU A 106 -8.420 10.413 -2.812 1.00 43.14 H new ATOM 0 HG3 GLU A 106 -9.171 9.631 -4.189 1.00 43.14 H new ATOM 1708 N CYS A 107 -7.617 9.489 0.084 1.00 14.01 N ATOM 1709 CA CYS A 107 -7.016 10.359 1.089 1.00 54.33 C ATOM 1710 C CYS A 107 -5.533 10.572 0.806 1.00 41.42 C ATOM 1711 O CYS A 107 -4.982 10.003 -0.135 1.00 63.11 O ATOM 1712 CB CYS A 107 -7.201 9.764 2.485 1.00 14.34 C ATOM 1713 SG CYS A 107 -8.785 10.171 3.257 1.00 73.31 S ATOM 0 H CYS A 107 -6.968 8.828 -0.344 1.00 14.01 H new ATOM 0 HA CYS A 107 -7.518 11.325 1.045 1.00 54.33 H new ATOM 0 HB2 CYS A 107 -7.108 8.680 2.421 1.00 14.34 H new ATOM 0 HB3 CYS A 107 -6.394 10.116 3.128 1.00 14.34 H new ATOM 0 HG CYS A 107 -9.693 10.310 2.337 1.00 73.31 H new ATOM 1719 N GLY A 108 -4.892 11.399 1.627 1.00 63.21 N ATOM 1720 CA GLY A 108 -3.478 11.674 1.447 1.00 13.33 C ATOM 1721 C GLY A 108 -3.209 12.571 0.255 1.00 73.31 C ATOM 1722 O GLY A 108 -4.139 13.019 -0.415 1.00 61.13 O ATOM 0 H GLY A 108 -5.326 11.883 2.413 1.00 63.21 H new ATOM 0 HA2 GLY A 108 -3.085 12.145 2.348 1.00 13.33 H new ATOM 0 HA3 GLY A 108 -2.942 10.734 1.319 1.00 13.33 H new