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 Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HE2:sc= -0.291 K(o=-0.29,f=-0.99) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 24:sc= 0.251 USER MOD Single : A 22 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.2!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) 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+ -161:sc= 0.973 (180deg=0.719) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 0:sc= -1.12 USER MOD Single : A 57 HIS : no HE2:sc= -0.934 X(o=-0.93,f=-1.2) USER MOD Single : A 59 GLN : amide:sc= -2.57 X(o=-2.6,f=-2.8) USER MOD Single : A 63 ASN : amide:sc= -2.28 K(o=-2.3,f=-4.4!) 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= -2.74 K(o=-2.7,f=-6.7!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 71 ASN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.578 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) 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=-0.00102 X(o=-0.001,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -1.14! F(o=-2.2,f=-1.1!) 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 55:sc= -0.794 USER MOD Single : A 98 SER OG : rot -41:sc= 0.833 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl 162:sc= -1.3 (180deg=-2.39) USER MOD Single : A 107 CYS SG : rot 28:sc= 0.305 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 14.799 -3.522 2.789 1.00 34.35 N ATOM 148 CA GLN A 12 14.723 -2.402 3.720 1.00 60.03 C ATOM 149 C GLN A 12 13.348 -1.745 3.670 1.00 54.00 C ATOM 150 O GLN A 12 12.591 -1.903 2.711 1.00 25.13 O ATOM 151 CB GLN A 12 15.806 -1.371 3.398 1.00 50.30 C ATOM 152 CG GLN A 12 17.093 -1.576 4.180 1.00 2.13 C ATOM 153 CD GLN A 12 18.150 -0.542 3.847 1.00 41.34 C ATOM 154 OE1 GLN A 12 19.174 -0.857 3.240 1.00 24.24 O ATOM 155 NE2 GLN A 12 17.907 0.703 4.241 1.00 34.43 N ATOM 0 HA GLN A 12 14.885 -2.787 4.727 1.00 60.03 H new ATOM 0 HB2 GLN A 12 16.028 -1.411 2.332 1.00 50.30 H new ATOM 0 HB3 GLN A 12 15.419 -0.373 3.606 1.00 50.30 H new ATOM 0 HG2 GLN A 12 16.875 -1.536 5.247 1.00 2.13 H new ATOM 0 HG3 GLN A 12 17.486 -2.571 3.972 1.00 2.13 H new ATOM 0 HE21 GLN A 12 17.045 0.920 4.742 1.00 34.43 H new ATOM 0 HE22 GLN A 12 18.582 1.442 4.043 1.00 34.43 H new ATOM 164 N PRO A 13 13.014 -0.990 4.727 1.00 55.31 N ATOM 165 CA PRO A 13 11.728 -0.293 4.827 1.00 35.33 C ATOM 166 C PRO A 13 11.617 0.864 3.841 1.00 13.41 C ATOM 167 O PRO A 13 12.613 1.508 3.509 1.00 12.02 O ATOM 168 CB PRO A 13 11.718 0.228 6.267 1.00 73.43 C ATOM 169 CG PRO A 13 13.156 0.349 6.635 1.00 10.43 C ATOM 170 CD PRO A 13 13.866 -0.757 5.905 1.00 33.00 C ATOM 0 HA PRO A 13 10.890 -0.948 4.590 1.00 35.33 H new ATOM 0 HB2 PRO A 13 11.209 1.189 6.337 1.00 73.43 H new ATOM 0 HB3 PRO A 13 11.195 -0.459 6.933 1.00 73.43 H new ATOM 0 HG2 PRO A 13 13.552 1.323 6.347 1.00 10.43 H new ATOM 0 HG3 PRO A 13 13.292 0.255 7.712 1.00 10.43 H new ATOM 0 HD2 PRO A 13 14.877 -0.466 5.619 1.00 33.00 H new ATOM 0 HD3 PRO A 13 13.955 -1.652 6.520 1.00 33.00 H new ATOM 178 N HIS A 14 10.399 1.125 3.376 1.00 61.02 N ATOM 179 CA HIS A 14 10.158 2.207 2.428 1.00 63.13 C ATOM 180 C HIS A 14 8.906 2.992 2.805 1.00 34.35 C ATOM 181 O HIS A 14 8.224 2.664 3.777 1.00 20.20 O ATOM 182 CB HIS A 14 10.017 1.650 1.011 1.00 63.22 C ATOM 183 CG HIS A 14 11.285 1.067 0.467 1.00 24.25 C ATOM 184 ND1 HIS A 14 11.650 -0.250 0.656 1.00 11.41 N ATOM 185 CD2 HIS A 14 12.276 1.629 -0.264 1.00 73.33 C ATOM 186 CE1 HIS A 14 12.810 -0.472 0.065 1.00 4.24 C ATOM 187 NE2 HIS A 14 13.212 0.652 -0.501 1.00 14.00 N ATOM 0 H HIS A 14 9.564 0.602 3.640 1.00 61.02 H new ATOM 0 HA HIS A 14 11.013 2.883 2.462 1.00 63.13 H new ATOM 0 HB2 HIS A 14 9.243 0.883 1.007 1.00 63.22 H new ATOM 0 HB3 HIS A 14 9.680 2.447 0.348 1.00 63.22 H new ATOM 0 HD1 HIS A 14 11.109 -0.944 1.172 1.00 11.41 H new ATOM 0 HD2 HIS A 14 12.322 2.655 -0.599 1.00 73.33 H new ATOM 0 HE1 HIS A 14 13.340 -1.413 0.047 1.00 4.24 H new ATOM 195 N LYS A 15 8.608 4.030 2.032 1.00 41.12 N ATOM 196 CA LYS A 15 7.438 4.862 2.284 1.00 54.21 C ATOM 197 C LYS A 15 6.317 4.537 1.301 1.00 21.03 C ATOM 198 O LYS A 15 5.383 5.321 1.129 1.00 64.43 O ATOM 199 CB LYS A 15 7.807 6.344 2.180 1.00 24.50 C ATOM 200 CG LYS A 15 8.570 6.693 0.914 1.00 64.40 C ATOM 201 CD LYS A 15 9.981 7.165 1.225 1.00 32.32 C ATOM 202 CE LYS A 15 10.014 8.653 1.536 1.00 45.32 C ATOM 203 NZ LYS A 15 10.199 8.912 2.991 1.00 41.34 N ATOM 0 H LYS A 15 9.162 4.316 1.224 1.00 41.12 H new ATOM 0 HA LYS A 15 7.085 4.652 3.294 1.00 54.21 H new ATOM 0 HB2 LYS A 15 6.896 6.941 2.221 1.00 24.50 H new ATOM 0 HB3 LYS A 15 8.409 6.622 3.045 1.00 24.50 H new ATOM 0 HG2 LYS A 15 8.613 5.821 0.262 1.00 64.40 H new ATOM 0 HG3 LYS A 15 8.036 7.472 0.370 1.00 64.40 H new ATOM 0 HD2 LYS A 15 10.374 6.606 2.074 1.00 32.32 H new ATOM 0 HD3 LYS A 15 10.632 6.955 0.376 1.00 32.32 H new ATOM 0 HE2 LYS A 15 10.824 9.123 0.978 1.00 45.32 H new ATOM 0 HE3 LYS A 15 9.086 9.115 1.200 1.00 45.32 H new ATOM 0 HZ1 LYS A 15 10.216 9.938 3.162 1.00 41.34 H new ATOM 0 HZ2 LYS A 15 9.413 8.486 3.522 1.00 41.34 H new ATOM 0 HZ3 LYS A 15 11.097 8.494 3.307 1.00 41.34 H new ATOM 217 N ARG A 16 6.416 3.376 0.661 1.00 12.52 N ATOM 218 CA ARG A 16 5.410 2.948 -0.304 1.00 2.24 C ATOM 219 C ARG A 16 5.128 1.455 -0.168 1.00 61.31 C ATOM 220 O ARG A 16 6.041 0.632 -0.242 1.00 35.31 O ATOM 221 CB ARG A 16 5.872 3.264 -1.728 1.00 32.25 C ATOM 222 CG ARG A 16 6.352 4.694 -1.909 1.00 52.52 C ATOM 223 CD ARG A 16 6.272 5.128 -3.364 1.00 52.34 C ATOM 224 NE ARG A 16 7.189 6.226 -3.659 1.00 53.15 N ATOM 225 CZ ARG A 16 8.509 6.087 -3.712 1.00 12.34 C ATOM 226 NH1 ARG A 16 9.063 4.904 -3.490 1.00 64.52 N ATOM 227 NH2 ARG A 16 9.277 7.134 -3.986 1.00 71.24 N ATOM 0 H ARG A 16 7.182 2.716 0.793 1.00 12.52 H new ATOM 0 HA ARG A 16 4.489 3.494 -0.099 1.00 2.24 H new ATOM 0 HB2 ARG A 16 6.678 2.582 -1.999 1.00 32.25 H new ATOM 0 HB3 ARG A 16 5.049 3.076 -2.418 1.00 32.25 H new ATOM 0 HG2 ARG A 16 5.748 5.362 -1.295 1.00 52.52 H new ATOM 0 HG3 ARG A 16 7.380 4.781 -1.558 1.00 52.52 H new ATOM 0 HD2 ARG A 16 6.503 4.280 -4.008 1.00 52.34 H new ATOM 0 HD3 ARG A 16 5.252 5.435 -3.595 1.00 52.34 H new ATOM 0 HE ARG A 16 6.794 7.150 -3.834 1.00 53.15 H new ATOM 0 HH11 ARG A 16 8.476 4.098 -3.278 1.00 64.52 H new ATOM 0 HH12 ARG A 16 10.077 4.800 -3.531 1.00 64.52 H new ATOM 0 HH21 ARG A 16 8.854 8.046 -4.156 1.00 71.24 H new ATOM 0 HH22 ARG A 16 10.290 7.026 -4.026 1.00 71.24 H new ATOM 241 N TRP A 17 3.860 1.113 0.031 1.00 42.44 N ATOM 242 CA TRP A 17 3.458 -0.281 0.177 1.00 23.00 C ATOM 243 C TRP A 17 2.046 -0.499 -0.354 1.00 70.14 C ATOM 244 O TRP A 17 1.142 0.292 -0.086 1.00 40.40 O ATOM 245 CB TRP A 17 3.535 -0.704 1.645 1.00 40.10 C ATOM 246 CG TRP A 17 4.939 -0.858 2.146 1.00 1.11 C ATOM 247 CD1 TRP A 17 5.685 0.083 2.797 1.00 40.14 C ATOM 248 CD2 TRP A 17 5.766 -2.022 2.036 1.00 54.24 C ATOM 249 NE1 TRP A 17 6.926 -0.426 3.097 1.00 14.31 N ATOM 250 CE2 TRP A 17 7.000 -1.715 2.642 1.00 73.43 C ATOM 251 CE3 TRP A 17 5.583 -3.293 1.486 1.00 73.43 C ATOM 252 CZ2 TRP A 17 8.043 -2.635 2.711 1.00 43.53 C ATOM 253 CZ3 TRP A 17 6.620 -4.204 1.555 1.00 75.33 C ATOM 254 CH2 TRP A 17 7.837 -3.872 2.164 1.00 12.11 C ATOM 0 H TRP A 17 3.093 1.782 0.095 1.00 42.44 H new ATOM 0 HA TRP A 17 4.144 -0.894 -0.407 1.00 23.00 H new ATOM 0 HB2 TRP A 17 3.018 0.036 2.256 1.00 40.10 H new ATOM 0 HB3 TRP A 17 3.006 -1.649 1.772 1.00 40.10 H new ATOM 0 HD1 TRP A 17 5.349 1.080 3.040 1.00 40.14 H new ATOM 0 HE1 TRP A 17 7.671 0.075 3.580 1.00 14.31 H new ATOM 0 HE3 TRP A 17 4.648 -3.559 1.015 1.00 73.43 H new ATOM 0 HZ2 TRP A 17 8.982 -2.381 3.180 1.00 43.53 H new ATOM 0 HZ3 TRP A 17 6.490 -5.189 1.132 1.00 75.33 H new ATOM 0 HH2 TRP A 17 8.628 -4.607 2.202 1.00 12.11 H new ATOM 265 N VAL A 18 1.862 -1.578 -1.110 1.00 3.53 N ATOM 266 CA VAL A 18 0.559 -1.900 -1.678 1.00 32.13 C ATOM 267 C VAL A 18 -0.069 -3.095 -0.969 1.00 70.01 C ATOM 268 O VAL A 18 0.619 -3.863 -0.296 1.00 13.23 O ATOM 269 CB VAL A 18 0.663 -2.207 -3.183 1.00 41.25 C ATOM 270 CG1 VAL A 18 1.233 -1.013 -3.934 1.00 12.53 C ATOM 271 CG2 VAL A 18 1.512 -3.448 -3.416 1.00 40.55 C ATOM 0 H VAL A 18 2.599 -2.243 -1.343 1.00 3.53 H new ATOM 0 HA VAL A 18 -0.073 -1.023 -1.537 1.00 32.13 H new ATOM 0 HB VAL A 18 -0.339 -2.402 -3.566 1.00 41.25 H new ATOM 0 HG11 VAL A 18 1.299 -1.249 -4.996 1.00 12.53 H new ATOM 0 HG12 VAL A 18 0.582 -0.150 -3.794 1.00 12.53 H new ATOM 0 HG13 VAL A 18 2.227 -0.783 -3.551 1.00 12.53 H new ATOM 0 HG21 VAL A 18 1.575 -3.650 -4.485 1.00 40.55 H new ATOM 0 HG22 VAL A 18 2.513 -3.284 -3.018 1.00 40.55 H new ATOM 0 HG23 VAL A 18 1.057 -4.300 -2.912 1.00 40.55 H new ATOM 281 N PHE A 19 -1.380 -3.247 -1.126 1.00 21.03 N ATOM 282 CA PHE A 19 -2.102 -4.349 -0.500 1.00 42.13 C ATOM 283 C PHE A 19 -3.105 -4.963 -1.472 1.00 71.03 C ATOM 284 O PHE A 19 -3.719 -4.260 -2.276 1.00 71.51 O ATOM 285 CB PHE A 19 -2.825 -3.864 0.758 1.00 61.01 C ATOM 286 CG PHE A 19 -3.722 -2.684 0.516 1.00 33.04 C ATOM 287 CD1 PHE A 19 -3.201 -1.402 0.456 1.00 53.42 C ATOM 288 CD2 PHE A 19 -5.087 -2.857 0.351 1.00 60.34 C ATOM 289 CE1 PHE A 19 -4.024 -0.314 0.233 1.00 13.43 C ATOM 290 CE2 PHE A 19 -5.915 -1.773 0.127 1.00 23.24 C ATOM 291 CZ PHE A 19 -5.383 -0.500 0.070 1.00 40.30 C ATOM 0 H PHE A 19 -1.964 -2.621 -1.681 1.00 21.03 H new ATOM 0 HA PHE A 19 -1.377 -5.114 -0.222 1.00 42.13 H new ATOM 0 HB2 PHE A 19 -3.417 -4.683 1.166 1.00 61.01 H new ATOM 0 HB3 PHE A 19 -2.085 -3.599 1.513 1.00 61.01 H new ATOM 0 HD1 PHE A 19 -2.139 -1.251 0.585 1.00 53.42 H new ATOM 0 HD2 PHE A 19 -5.509 -3.850 0.398 1.00 60.34 H new ATOM 0 HE1 PHE A 19 -3.605 0.680 0.186 1.00 13.43 H new ATOM 0 HE2 PHE A 19 -6.977 -1.922 -0.003 1.00 23.24 H new ATOM 0 HZ PHE A 19 -6.028 0.349 -0.102 1.00 40.30 H new ATOM 301 N THR A 20 -3.266 -6.280 -1.393 1.00 73.35 N ATOM 302 CA THR A 20 -4.193 -6.991 -2.266 1.00 43.51 C ATOM 303 C THR A 20 -4.749 -8.234 -1.582 1.00 14.34 C ATOM 304 O THR A 20 -3.997 -9.057 -1.060 1.00 64.51 O ATOM 305 CB THR A 20 -3.515 -7.405 -3.586 1.00 55.11 C ATOM 306 OG1 THR A 20 -2.466 -8.343 -3.325 1.00 31.43 O ATOM 307 CG2 THR A 20 -2.949 -6.191 -4.308 1.00 33.41 C ATOM 0 H THR A 20 -2.767 -6.876 -0.733 1.00 73.35 H new ATOM 0 HA THR A 20 -5.011 -6.304 -2.485 1.00 43.51 H new ATOM 0 HB THR A 20 -4.266 -7.870 -4.224 1.00 55.11 H new ATOM 0 HG1 THR A 20 -2.638 -8.797 -2.474 1.00 31.43 H new ATOM 0 HG21 THR A 20 -2.475 -6.508 -5.237 1.00 33.41 H new ATOM 0 HG22 THR A 20 -3.755 -5.492 -4.532 1.00 33.41 H new ATOM 0 HG23 THR A 20 -2.211 -5.702 -3.673 1.00 33.41 H new ATOM 315 N LEU A 21 -6.071 -8.364 -1.587 1.00 73.41 N ATOM 316 CA LEU A 21 -6.730 -9.509 -0.967 1.00 5.02 C ATOM 317 C LEU A 21 -7.902 -9.989 -1.816 1.00 62.24 C ATOM 318 O LEU A 21 -8.680 -9.186 -2.328 1.00 53.22 O ATOM 319 CB LEU A 21 -7.218 -9.143 0.436 1.00 64.20 C ATOM 320 CG LEU A 21 -7.899 -10.263 1.223 1.00 72.22 C ATOM 321 CD1 LEU A 21 -6.955 -10.830 2.271 1.00 2.15 C ATOM 322 CD2 LEU A 21 -9.178 -9.756 1.873 1.00 74.33 C ATOM 0 H LEU A 21 -6.708 -7.691 -2.013 1.00 73.41 H new ATOM 0 HA LEU A 21 -6.004 -10.318 -0.893 1.00 5.02 H new ATOM 0 HB2 LEU A 21 -6.365 -8.787 1.014 1.00 64.20 H new ATOM 0 HB3 LEU A 21 -7.916 -8.310 0.350 1.00 64.20 H new ATOM 0 HG LEU A 21 -8.160 -11.062 0.529 1.00 72.22 H new ATOM 0 HD11 LEU A 21 -7.457 -11.626 2.821 1.00 2.15 H new ATOM 0 HD12 LEU A 21 -6.067 -11.231 1.782 1.00 2.15 H new ATOM 0 HD13 LEU A 21 -6.662 -10.040 2.963 1.00 2.15 H new ATOM 0 HD21 LEU A 21 -9.650 -10.566 2.429 1.00 74.33 H new ATOM 0 HD22 LEU A 21 -8.941 -8.939 2.554 1.00 74.33 H new ATOM 0 HD23 LEU A 21 -9.861 -9.399 1.102 1.00 74.33 H new ATOM 334 N ASN A 22 -8.022 -11.305 -1.960 1.00 60.10 N ATOM 335 CA ASN A 22 -9.101 -11.893 -2.746 1.00 43.32 C ATOM 336 C ASN A 22 -10.365 -12.047 -1.906 1.00 24.13 C ATOM 337 O ASN A 22 -10.306 -12.461 -0.749 1.00 20.22 O ATOM 338 CB ASN A 22 -8.673 -13.254 -3.300 1.00 14.43 C ATOM 339 CG ASN A 22 -9.254 -13.527 -4.674 1.00 20.13 C ATOM 340 OD1 ASN A 22 -10.020 -12.724 -5.207 1.00 64.23 O ATOM 341 ND2 ASN A 22 -8.891 -14.665 -5.253 1.00 72.52 N ATOM 0 H ASN A 22 -7.386 -11.984 -1.543 1.00 60.10 H new ATOM 0 HA ASN A 22 -9.319 -11.222 -3.577 1.00 43.32 H new ATOM 0 HB2 ASN A 22 -7.585 -13.296 -3.354 1.00 14.43 H new ATOM 0 HB3 ASN A 22 -8.989 -14.039 -2.612 1.00 14.43 H new ATOM 0 HD21 ASN A 22 -9.250 -14.904 -6.178 1.00 72.52 H new ATOM 0 HD22 ASN A 22 -8.253 -15.301 -4.773 1.00 72.52 H new ATOM 348 N ASN A 23 -11.507 -11.711 -2.497 1.00 64.41 N ATOM 349 CA ASN A 23 -12.785 -11.813 -1.803 1.00 53.31 C ATOM 350 C ASN A 23 -12.720 -11.130 -0.440 1.00 51.03 C ATOM 351 O ASN A 23 -12.824 -11.769 0.607 1.00 4.42 O ATOM 352 CB ASN A 23 -13.182 -13.281 -1.632 1.00 44.43 C ATOM 353 CG ASN A 23 -14.022 -13.791 -2.787 1.00 13.43 C ATOM 354 OD1 ASN A 23 -13.500 -14.361 -3.745 1.00 34.13 O ATOM 355 ND2 ASN A 23 -15.332 -13.586 -2.700 1.00 64.34 N ATOM 0 H ASN A 23 -11.573 -11.366 -3.455 1.00 64.41 H new ATOM 0 HA ASN A 23 -13.539 -11.308 -2.407 1.00 53.31 H new ATOM 0 HB2 ASN A 23 -12.282 -13.890 -1.544 1.00 44.43 H new ATOM 0 HB3 ASN A 23 -13.738 -13.398 -0.702 1.00 44.43 H new ATOM 0 HD21 ASN A 23 -15.949 -13.906 -3.447 1.00 64.34 H new ATOM 0 HD22 ASN A 23 -15.721 -13.109 -1.887 1.00 64.34 H new ATOM 362 N PRO A 24 -12.545 -9.800 -0.452 1.00 70.24 N ATOM 363 CA PRO A 24 -12.463 -9.001 0.774 1.00 74.31 C ATOM 364 C PRO A 24 -13.801 -8.917 1.501 1.00 51.00 C ATOM 365 O PRO A 24 -14.858 -8.863 0.872 1.00 21.41 O ATOM 366 CB PRO A 24 -12.041 -7.619 0.269 1.00 21.24 C ATOM 367 CG PRO A 24 -12.519 -7.568 -1.141 1.00 24.43 C ATOM 368 CD PRO A 24 -12.414 -8.974 -1.664 1.00 61.14 C ATOM 0 HA PRO A 24 -11.773 -9.434 1.498 1.00 74.31 H new ATOM 0 HB2 PRO A 24 -12.488 -6.825 0.867 1.00 21.24 H new ATOM 0 HB3 PRO A 24 -10.960 -7.490 0.325 1.00 21.24 H new ATOM 0 HG2 PRO A 24 -13.547 -7.208 -1.192 1.00 24.43 H new ATOM 0 HG3 PRO A 24 -11.912 -6.884 -1.735 1.00 24.43 H new ATOM 0 HD2 PRO A 24 -13.200 -9.194 -2.387 1.00 61.14 H new ATOM 0 HD3 PRO A 24 -11.462 -9.146 -2.166 1.00 61.14 H new ATOM 376 N SER A 25 -13.748 -8.905 2.829 1.00 21.21 N ATOM 377 CA SER A 25 -14.956 -8.831 3.642 1.00 53.31 C ATOM 378 C SER A 25 -15.300 -7.382 3.973 1.00 5.52 C ATOM 379 O SER A 25 -14.437 -6.505 3.937 1.00 2.14 O ATOM 380 CB SER A 25 -14.778 -9.632 4.933 1.00 74.54 C ATOM 381 OG SER A 25 -15.939 -10.391 5.226 1.00 62.34 O ATOM 0 H SER A 25 -12.881 -8.946 3.365 1.00 21.21 H new ATOM 0 HA SER A 25 -15.777 -9.260 3.067 1.00 53.31 H new ATOM 0 HB2 SER A 25 -13.920 -10.297 4.837 1.00 74.54 H new ATOM 0 HB3 SER A 25 -14.565 -8.954 5.759 1.00 74.54 H new ATOM 0 HG SER A 25 -15.800 -10.895 6.055 1.00 62.34 H new ATOM 387 N GLU A 26 -16.566 -7.139 4.296 1.00 52.25 N ATOM 388 CA GLU A 26 -17.024 -5.796 4.632 1.00 12.04 C ATOM 389 C GLU A 26 -16.195 -5.208 5.770 1.00 4.32 C ATOM 390 O GLU A 26 -16.014 -3.993 5.857 1.00 30.13 O ATOM 391 CB GLU A 26 -18.503 -5.821 5.025 1.00 41.12 C ATOM 392 CG GLU A 26 -19.395 -5.023 4.088 1.00 23.40 C ATOM 393 CD GLU A 26 -20.798 -4.842 4.633 1.00 52.35 C ATOM 394 OE1 GLU A 26 -20.964 -4.874 5.870 1.00 71.54 O ATOM 395 OE2 GLU A 26 -21.731 -4.666 3.820 1.00 22.54 O ATOM 0 H GLU A 26 -17.292 -7.854 4.332 1.00 52.25 H new ATOM 0 HA GLU A 26 -16.900 -5.166 3.751 1.00 12.04 H new ATOM 0 HB2 GLU A 26 -18.847 -6.855 5.048 1.00 41.12 H new ATOM 0 HB3 GLU A 26 -18.608 -5.428 6.036 1.00 41.12 H new ATOM 0 HG2 GLU A 26 -18.948 -4.044 3.913 1.00 23.40 H new ATOM 0 HG3 GLU A 26 -19.446 -5.528 3.123 1.00 23.40 H new ATOM 402 N ASP A 27 -15.693 -6.078 6.640 1.00 54.20 N ATOM 403 CA ASP A 27 -14.883 -5.646 7.773 1.00 44.15 C ATOM 404 C ASP A 27 -13.459 -5.322 7.330 1.00 72.04 C ATOM 405 O ASP A 27 -12.868 -4.341 7.780 1.00 64.35 O ATOM 406 CB ASP A 27 -14.860 -6.728 8.853 1.00 20.11 C ATOM 407 CG ASP A 27 -16.233 -6.990 9.439 1.00 14.34 C ATOM 408 OD1 ASP A 27 -17.065 -7.613 8.747 1.00 34.44 O ATOM 409 OD2 ASP A 27 -16.476 -6.571 10.591 1.00 60.45 O ATOM 0 H ASP A 27 -15.833 -7.087 6.582 1.00 54.20 H new ATOM 0 HA ASP A 27 -15.331 -4.742 8.185 1.00 44.15 H new ATOM 0 HB2 ASP A 27 -14.467 -7.652 8.429 1.00 20.11 H new ATOM 0 HB3 ASP A 27 -14.179 -6.428 9.650 1.00 20.11 H new ATOM 414 N GLU A 28 -12.916 -6.154 6.446 1.00 1.32 N ATOM 415 CA GLU A 28 -11.561 -5.956 5.945 1.00 50.13 C ATOM 416 C GLU A 28 -11.446 -4.631 5.197 1.00 42.32 C ATOM 417 O GLU A 28 -10.532 -3.843 5.445 1.00 73.45 O ATOM 418 CB GLU A 28 -11.161 -7.110 5.024 1.00 64.42 C ATOM 419 CG GLU A 28 -9.974 -7.912 5.533 1.00 51.53 C ATOM 420 CD GLU A 28 -10.242 -9.404 5.549 1.00 1.14 C ATOM 421 OE1 GLU A 28 -10.891 -9.901 4.606 1.00 34.41 O ATOM 422 OE2 GLU A 28 -9.801 -10.074 6.507 1.00 71.45 O ATOM 0 H GLU A 28 -13.393 -6.970 6.063 1.00 1.32 H new ATOM 0 HA GLU A 28 -10.885 -5.931 6.800 1.00 50.13 H new ATOM 0 HB2 GLU A 28 -12.014 -7.778 4.901 1.00 64.42 H new ATOM 0 HB3 GLU A 28 -10.923 -6.711 4.038 1.00 64.42 H new ATOM 0 HG2 GLU A 28 -9.107 -7.709 4.904 1.00 51.53 H new ATOM 0 HG3 GLU A 28 -9.722 -7.581 6.540 1.00 51.53 H new ATOM 429 N ARG A 29 -12.378 -4.392 4.280 1.00 34.25 N ATOM 430 CA ARG A 29 -12.381 -3.164 3.495 1.00 71.11 C ATOM 431 C ARG A 29 -12.696 -1.957 4.374 1.00 71.23 C ATOM 432 O ARG A 29 -12.144 -0.874 4.180 1.00 14.45 O ATOM 433 CB ARG A 29 -13.402 -3.262 2.360 1.00 42.04 C ATOM 434 CG ARG A 29 -13.117 -4.388 1.380 1.00 64.34 C ATOM 435 CD ARG A 29 -14.398 -5.072 0.929 1.00 62.31 C ATOM 436 NE ARG A 29 -15.301 -4.148 0.249 1.00 75.43 N ATOM 437 CZ ARG A 29 -16.604 -4.366 0.106 1.00 70.13 C ATOM 438 NH1 ARG A 29 -17.152 -5.470 0.593 1.00 34.32 N ATOM 439 NH2 ARG A 29 -17.361 -3.478 -0.526 1.00 0.23 N ATOM 0 H ARG A 29 -13.141 -5.033 4.063 1.00 34.25 H new ATOM 0 HA ARG A 29 -11.386 -3.032 3.070 1.00 71.11 H new ATOM 0 HB2 ARG A 29 -14.395 -3.406 2.787 1.00 42.04 H new ATOM 0 HB3 ARG A 29 -13.422 -2.316 1.818 1.00 42.04 H new ATOM 0 HG2 ARG A 29 -12.590 -3.992 0.512 1.00 64.34 H new ATOM 0 HG3 ARG A 29 -12.457 -5.120 1.847 1.00 64.34 H new ATOM 0 HD2 ARG A 29 -14.152 -5.897 0.260 1.00 62.31 H new ATOM 0 HD3 ARG A 29 -14.903 -5.502 1.794 1.00 62.31 H new ATOM 0 HE ARG A 29 -14.911 -3.289 -0.137 1.00 75.43 H new ATOM 0 HH11 ARG A 29 -16.573 -6.155 1.079 1.00 34.32 H new ATOM 0 HH12 ARG A 29 -18.152 -5.635 0.482 1.00 34.32 H new ATOM 0 HH21 ARG A 29 -16.943 -2.627 -0.903 1.00 0.23 H new ATOM 0 HH22 ARG A 29 -18.361 -3.646 -0.635 1.00 0.23 H new ATOM 453 N LYS A 30 -13.587 -2.152 5.340 1.00 51.11 N ATOM 454 CA LYS A 30 -13.976 -1.081 6.250 1.00 52.02 C ATOM 455 C LYS A 30 -12.795 -0.641 7.109 1.00 31.42 C ATOM 456 O LYS A 30 -12.583 0.552 7.328 1.00 30.50 O ATOM 457 CB LYS A 30 -15.130 -1.539 7.145 1.00 2.43 C ATOM 458 CG LYS A 30 -15.520 -0.520 8.202 1.00 14.01 C ATOM 459 CD LYS A 30 -16.992 -0.154 8.107 1.00 31.31 C ATOM 460 CE LYS A 30 -17.883 -1.367 8.330 1.00 52.31 C ATOM 461 NZ LYS A 30 -19.324 -0.993 8.387 1.00 24.41 N ATOM 0 H LYS A 30 -14.054 -3.042 5.513 1.00 51.11 H new ATOM 0 HA LYS A 30 -14.304 -0.231 5.652 1.00 52.02 H new ATOM 0 HB2 LYS A 30 -15.998 -1.755 6.522 1.00 2.43 H new ATOM 0 HB3 LYS A 30 -14.850 -2.471 7.636 1.00 2.43 H new ATOM 0 HG2 LYS A 30 -15.307 -0.922 9.193 1.00 14.01 H new ATOM 0 HG3 LYS A 30 -14.913 0.378 8.085 1.00 14.01 H new ATOM 0 HD2 LYS A 30 -17.226 0.612 8.846 1.00 31.31 H new ATOM 0 HD3 LYS A 30 -17.199 0.276 7.127 1.00 31.31 H new ATOM 0 HE2 LYS A 30 -17.726 -2.086 7.526 1.00 52.31 H new ATOM 0 HE3 LYS A 30 -17.599 -1.861 9.259 1.00 52.31 H new ATOM 0 HZ1 LYS A 30 -19.898 -1.846 8.540 1.00 24.41 H new ATOM 0 HZ2 LYS A 30 -19.479 -0.326 9.170 1.00 24.41 H new ATOM 0 HZ3 LYS A 30 -19.602 -0.545 7.491 1.00 24.41 H new ATOM 475 N LYS A 31 -12.028 -1.612 7.593 1.00 23.12 N ATOM 476 CA LYS A 31 -10.866 -1.326 8.426 1.00 21.15 C ATOM 477 C LYS A 31 -9.831 -0.512 7.656 1.00 30.22 C ATOM 478 O LYS A 31 -9.379 0.535 8.122 1.00 75.52 O ATOM 479 CB LYS A 31 -10.237 -2.629 8.925 1.00 32.14 C ATOM 480 CG LYS A 31 -8.882 -2.437 9.584 1.00 61.43 C ATOM 481 CD LYS A 31 -8.296 -3.760 10.050 1.00 53.23 C ATOM 482 CE LYS A 31 -6.809 -3.850 9.743 1.00 11.44 C ATOM 483 NZ LYS A 31 -6.018 -2.877 10.546 1.00 3.25 N ATOM 0 H LYS A 31 -12.190 -2.604 7.423 1.00 23.12 H new ATOM 0 HA LYS A 31 -11.200 -0.740 9.282 1.00 21.15 H new ATOM 0 HB2 LYS A 31 -10.914 -3.100 9.637 1.00 32.14 H new ATOM 0 HB3 LYS A 31 -10.129 -3.316 8.085 1.00 32.14 H new ATOM 0 HG2 LYS A 31 -8.198 -1.963 8.880 1.00 61.43 H new ATOM 0 HG3 LYS A 31 -8.982 -1.763 10.435 1.00 61.43 H new ATOM 0 HD2 LYS A 31 -8.455 -3.872 11.123 1.00 53.23 H new ATOM 0 HD3 LYS A 31 -8.820 -4.583 9.563 1.00 53.23 H new ATOM 0 HE2 LYS A 31 -6.456 -4.861 9.947 1.00 11.44 H new ATOM 0 HE3 LYS A 31 -6.645 -3.663 8.682 1.00 11.44 H new ATOM 0 HZ1 LYS A 31 -5.089 -2.734 10.101 1.00 3.25 H new ATOM 0 HZ2 LYS A 31 -6.525 -1.970 10.590 1.00 3.25 H new ATOM 0 HZ3 LYS A 31 -5.887 -3.247 11.509 1.00 3.25 H new ATOM 497 N ILE A 32 -9.461 -0.999 6.477 1.00 51.25 N ATOM 498 CA ILE A 32 -8.482 -0.315 5.642 1.00 43.54 C ATOM 499 C ILE A 32 -9.013 1.032 5.162 1.00 72.22 C ATOM 500 O ILE A 32 -8.282 2.022 5.125 1.00 73.32 O ATOM 501 CB ILE A 32 -8.092 -1.165 4.418 1.00 31.44 C ATOM 502 CG1 ILE A 32 -7.108 -2.264 4.826 1.00 3.53 C ATOM 503 CG2 ILE A 32 -7.493 -0.286 3.331 1.00 64.40 C ATOM 504 CD1 ILE A 32 -6.829 -3.264 3.726 1.00 4.25 C ATOM 0 H ILE A 32 -9.824 -1.865 6.078 1.00 51.25 H new ATOM 0 HA ILE A 32 -7.598 -0.156 6.260 1.00 43.54 H new ATOM 0 HB ILE A 32 -8.991 -1.637 4.021 1.00 31.44 H new ATOM 0 HG12 ILE A 32 -6.169 -1.804 5.134 1.00 3.53 H new ATOM 0 HG13 ILE A 32 -7.504 -2.792 5.694 1.00 3.53 H new ATOM 0 HG21 ILE A 32 -7.223 -0.902 2.473 1.00 64.40 H new ATOM 0 HG22 ILE A 32 -8.224 0.463 3.025 1.00 64.40 H new ATOM 0 HG23 ILE A 32 -6.603 0.212 3.715 1.00 64.40 H new ATOM 0 HD11 ILE A 32 -6.124 -4.013 4.086 1.00 4.25 H new ATOM 0 HD12 ILE A 32 -7.759 -3.752 3.433 1.00 4.25 H new ATOM 0 HD13 ILE A 32 -6.403 -2.749 2.865 1.00 4.25 H new ATOM 516 N ARG A 33 -10.291 1.061 4.797 1.00 42.33 N ATOM 517 CA ARG A 33 -10.921 2.286 4.320 1.00 40.42 C ATOM 518 C ARG A 33 -11.113 3.279 5.462 1.00 12.34 C ATOM 519 O ARG A 33 -11.254 4.481 5.236 1.00 4.44 O ATOM 520 CB ARG A 33 -12.270 1.972 3.671 1.00 71.11 C ATOM 521 CG ARG A 33 -13.080 3.209 3.320 1.00 14.10 C ATOM 522 CD ARG A 33 -14.281 2.862 2.454 1.00 62.45 C ATOM 523 NE ARG A 33 -15.520 3.423 2.985 1.00 71.41 N ATOM 524 CZ ARG A 33 -16.636 3.544 2.274 1.00 21.34 C ATOM 525 NH1 ARG A 33 -16.667 3.145 1.010 1.00 34.03 N ATOM 526 NH2 ARG A 33 -17.723 4.064 2.828 1.00 14.35 N ATOM 0 H ARG A 33 -10.910 0.251 4.823 1.00 42.33 H new ATOM 0 HA ARG A 33 -10.264 2.737 3.576 1.00 40.42 H new ATOM 0 HB2 ARG A 33 -12.101 1.390 2.765 1.00 71.11 H new ATOM 0 HB3 ARG A 33 -12.852 1.347 4.348 1.00 71.11 H new ATOM 0 HG2 ARG A 33 -13.418 3.695 4.235 1.00 14.10 H new ATOM 0 HG3 ARG A 33 -12.446 3.923 2.795 1.00 14.10 H new ATOM 0 HD2 ARG A 33 -14.118 3.235 1.443 1.00 62.45 H new ATOM 0 HD3 ARG A 33 -14.375 1.778 2.383 1.00 62.45 H new ATOM 0 HE ARG A 33 -15.529 3.739 3.955 1.00 71.41 H new ATOM 0 HH11 ARG A 33 -15.833 2.744 0.581 1.00 34.03 H new ATOM 0 HH12 ARG A 33 -17.525 3.239 0.466 1.00 34.03 H new ATOM 0 HH21 ARG A 33 -17.703 4.371 3.800 1.00 14.35 H new ATOM 0 HH22 ARG A 33 -18.579 4.157 2.282 1.00 14.35 H new ATOM 540 N ASP A 34 -11.119 2.768 6.689 1.00 42.35 N ATOM 541 CA ASP A 34 -11.293 3.610 7.867 1.00 73.32 C ATOM 542 C ASP A 34 -9.947 3.939 8.504 1.00 63.05 C ATOM 543 O ASP A 34 -9.886 4.506 9.595 1.00 12.32 O ATOM 544 CB ASP A 34 -12.197 2.915 8.886 1.00 14.34 C ATOM 545 CG ASP A 34 -12.605 3.836 10.020 1.00 31.51 C ATOM 546 OD1 ASP A 34 -12.814 5.040 9.762 1.00 70.55 O ATOM 547 OD2 ASP A 34 -12.716 3.352 11.166 1.00 72.43 O ATOM 0 H ASP A 34 -11.005 1.775 6.893 1.00 42.35 H new ATOM 0 HA ASP A 34 -11.762 4.542 7.551 1.00 73.32 H new ATOM 0 HB2 ASP A 34 -13.090 2.545 8.383 1.00 14.34 H new ATOM 0 HB3 ASP A 34 -11.679 2.047 9.295 1.00 14.34 H new ATOM 552 N LEU A 35 -8.869 3.579 7.816 1.00 61.35 N ATOM 553 CA LEU A 35 -7.522 3.835 8.314 1.00 31.20 C ATOM 554 C LEU A 35 -7.245 5.333 8.389 1.00 20.12 C ATOM 555 O LEU A 35 -7.911 6.145 7.747 1.00 12.35 O ATOM 556 CB LEU A 35 -6.487 3.158 7.414 1.00 23.44 C ATOM 557 CG LEU A 35 -6.217 1.679 7.696 1.00 13.11 C ATOM 558 CD1 LEU A 35 -5.337 1.080 6.610 1.00 53.41 C ATOM 559 CD2 LEU A 35 -5.572 1.506 9.063 1.00 33.45 C ATOM 0 H LEU A 35 -8.902 3.109 6.911 1.00 61.35 H new ATOM 0 HA LEU A 35 -7.448 3.420 9.319 1.00 31.20 H new ATOM 0 HB2 LEU A 35 -6.815 3.256 6.379 1.00 23.44 H new ATOM 0 HB3 LEU A 35 -5.547 3.702 7.503 1.00 23.44 H new ATOM 0 HG LEU A 35 -7.170 1.149 7.696 1.00 13.11 H new ATOM 0 HD11 LEU A 35 -5.156 0.027 6.828 1.00 53.41 H new ATOM 0 HD12 LEU A 35 -5.837 1.170 5.646 1.00 53.41 H new ATOM 0 HD13 LEU A 35 -4.386 1.612 6.577 1.00 53.41 H new ATOM 0 HD21 LEU A 35 -5.387 0.448 9.247 1.00 33.45 H new ATOM 0 HD22 LEU A 35 -4.628 2.050 9.091 1.00 33.45 H new ATOM 0 HD23 LEU A 35 -6.239 1.897 9.832 1.00 33.45 H new ATOM 571 N PRO A 36 -6.237 5.709 9.190 1.00 62.00 N ATOM 572 CA PRO A 36 -5.846 7.111 9.366 1.00 73.11 C ATOM 573 C PRO A 36 -5.200 7.694 8.114 1.00 5.02 C ATOM 574 O PRO A 36 -4.150 7.227 7.672 1.00 63.33 O ATOM 575 CB PRO A 36 -4.836 7.056 10.514 1.00 5.21 C ATOM 576 CG PRO A 36 -4.279 5.675 10.463 1.00 11.25 C ATOM 577 CD PRO A 36 -5.400 4.794 9.985 1.00 41.52 C ATOM 0 HA PRO A 36 -6.705 7.752 9.567 1.00 73.11 H new ATOM 0 HB2 PRO A 36 -4.053 7.804 10.388 1.00 5.21 H new ATOM 0 HB3 PRO A 36 -5.315 7.254 11.473 1.00 5.21 H new ATOM 0 HG2 PRO A 36 -3.426 5.623 9.786 1.00 11.25 H new ATOM 0 HG3 PRO A 36 -3.926 5.360 11.445 1.00 11.25 H new ATOM 0 HD2 PRO A 36 -5.030 3.963 9.384 1.00 41.52 H new ATOM 0 HD3 PRO A 36 -5.955 4.363 10.818 1.00 41.52 H new ATOM 585 N ILE A 37 -5.832 8.717 7.549 1.00 60.44 N ATOM 586 CA ILE A 37 -5.316 9.364 6.349 1.00 73.23 C ATOM 587 C ILE A 37 -4.035 10.135 6.647 1.00 30.33 C ATOM 588 O ILE A 37 -3.141 10.223 5.806 1.00 51.12 O ATOM 589 CB ILE A 37 -6.352 10.327 5.740 1.00 42.54 C ATOM 590 CG1 ILE A 37 -6.885 11.281 6.811 1.00 73.12 C ATOM 591 CG2 ILE A 37 -7.492 9.547 5.103 1.00 64.34 C ATOM 592 CD1 ILE A 37 -7.795 12.358 6.262 1.00 3.12 C ATOM 0 H ILE A 37 -6.702 9.116 7.903 1.00 60.44 H new ATOM 0 HA ILE A 37 -5.101 8.572 5.631 1.00 73.23 H new ATOM 0 HB ILE A 37 -5.865 10.917 4.964 1.00 42.54 H new ATOM 0 HG12 ILE A 37 -7.428 10.706 7.561 1.00 73.12 H new ATOM 0 HG13 ILE A 37 -6.043 11.752 7.318 1.00 73.12 H new ATOM 0 HG21 ILE A 37 -8.215 10.242 4.677 1.00 64.34 H new ATOM 0 HG22 ILE A 37 -7.098 8.905 4.315 1.00 64.34 H new ATOM 0 HG23 ILE A 37 -7.981 8.933 5.860 1.00 64.34 H new ATOM 0 HD11 ILE A 37 -8.135 12.997 7.077 1.00 3.12 H new ATOM 0 HD12 ILE A 37 -7.250 12.958 5.533 1.00 3.12 H new ATOM 0 HD13 ILE A 37 -8.656 11.896 5.780 1.00 3.12 H new ATOM 604 N SER A 38 -3.952 10.690 7.852 1.00 12.01 N ATOM 605 CA SER A 38 -2.781 11.456 8.262 1.00 23.41 C ATOM 606 C SER A 38 -1.561 10.550 8.401 1.00 31.42 C ATOM 607 O SER A 38 -0.421 11.013 8.355 1.00 24.55 O ATOM 608 CB SER A 38 -3.051 12.172 9.586 1.00 15.33 C ATOM 609 OG SER A 38 -4.177 13.027 9.483 1.00 72.22 O ATOM 0 H SER A 38 -4.682 10.623 8.561 1.00 12.01 H new ATOM 0 HA SER A 38 -2.575 12.199 7.491 1.00 23.41 H new ATOM 0 HB2 SER A 38 -3.219 11.437 10.373 1.00 15.33 H new ATOM 0 HB3 SER A 38 -2.175 12.753 9.874 1.00 15.33 H new ATOM 0 HG SER A 38 -4.330 13.472 10.343 1.00 72.22 H new ATOM 615 N LEU A 39 -1.810 9.256 8.571 1.00 23.24 N ATOM 616 CA LEU A 39 -0.733 8.283 8.718 1.00 61.55 C ATOM 617 C LEU A 39 -0.034 8.039 7.384 1.00 74.14 C ATOM 618 O LEU A 39 1.154 7.720 7.342 1.00 2.43 O ATOM 619 CB LEU A 39 -1.281 6.965 9.267 1.00 31.53 C ATOM 620 CG LEU A 39 -0.380 6.223 10.255 1.00 31.22 C ATOM 621 CD1 LEU A 39 -1.212 5.554 11.338 1.00 74.51 C ATOM 622 CD2 LEU A 39 0.477 5.197 9.529 1.00 64.05 C ATOM 0 H LEU A 39 -2.748 8.856 8.610 1.00 23.24 H new ATOM 0 HA LEU A 39 -0.005 8.688 9.421 1.00 61.55 H new ATOM 0 HB2 LEU A 39 -2.234 7.167 9.756 1.00 31.53 H new ATOM 0 HB3 LEU A 39 -1.488 6.302 8.427 1.00 31.53 H new ATOM 0 HG LEU A 39 0.281 6.949 10.729 1.00 31.22 H new ATOM 0 HD11 LEU A 39 -0.554 5.031 12.032 1.00 74.51 H new ATOM 0 HD12 LEU A 39 -1.782 6.310 11.878 1.00 74.51 H new ATOM 0 HD13 LEU A 39 -1.898 4.841 10.881 1.00 74.51 H new ATOM 0 HD21 LEU A 39 1.112 4.679 10.248 1.00 64.05 H new ATOM 0 HD22 LEU A 39 -0.167 4.475 9.027 1.00 64.05 H new ATOM 0 HD23 LEU A 39 1.101 5.701 8.791 1.00 64.05 H new ATOM 634 N PHE A 40 -0.780 8.193 6.294 1.00 21.14 N ATOM 635 CA PHE A 40 -0.232 7.991 4.958 1.00 31.11 C ATOM 636 C PHE A 40 -0.421 9.238 4.099 1.00 72.53 C ATOM 637 O PHE A 40 -1.548 9.652 3.826 1.00 31.41 O ATOM 638 CB PHE A 40 -0.899 6.789 4.287 1.00 73.23 C ATOM 639 CG PHE A 40 -1.138 5.637 5.220 1.00 21.34 C ATOM 640 CD1 PHE A 40 -2.299 5.567 5.973 1.00 0.13 C ATOM 641 CD2 PHE A 40 -0.201 4.623 5.345 1.00 54.23 C ATOM 642 CE1 PHE A 40 -2.520 4.509 6.834 1.00 75.52 C ATOM 643 CE2 PHE A 40 -0.418 3.562 6.203 1.00 23.33 C ATOM 644 CZ PHE A 40 -1.579 3.504 6.948 1.00 33.00 C ATOM 0 H PHE A 40 -1.765 8.457 6.310 1.00 21.14 H new ATOM 0 HA PHE A 40 0.836 7.797 5.055 1.00 31.11 H new ATOM 0 HB2 PHE A 40 -1.851 7.104 3.860 1.00 73.23 H new ATOM 0 HB3 PHE A 40 -0.274 6.452 3.460 1.00 73.23 H new ATOM 0 HD1 PHE A 40 -3.040 6.348 5.886 1.00 0.13 H new ATOM 0 HD2 PHE A 40 0.709 4.663 4.765 1.00 54.23 H new ATOM 0 HE1 PHE A 40 -3.428 4.468 7.417 1.00 75.52 H new ATOM 0 HE2 PHE A 40 0.320 2.778 6.291 1.00 23.33 H new ATOM 0 HZ PHE A 40 -1.751 2.675 7.618 1.00 33.00 H new ATOM 654 N ASP A 41 0.689 9.831 3.676 1.00 45.03 N ATOM 655 CA ASP A 41 0.648 11.030 2.847 1.00 55.12 C ATOM 656 C ASP A 41 -0.241 10.816 1.626 1.00 72.34 C ATOM 657 O ASP A 41 -0.818 11.763 1.091 1.00 14.13 O ATOM 658 CB ASP A 41 2.059 11.419 2.404 1.00 52.41 C ATOM 659 CG ASP A 41 2.571 12.652 3.122 1.00 45.31 C ATOM 660 OD1 ASP A 41 1.897 13.701 3.054 1.00 3.02 O ATOM 661 OD2 ASP A 41 3.647 12.569 3.751 1.00 64.42 O ATOM 0 H ASP A 41 1.629 9.501 3.893 1.00 45.03 H new ATOM 0 HA ASP A 41 0.227 11.840 3.443 1.00 55.12 H new ATOM 0 HB2 ASP A 41 2.737 10.586 2.589 1.00 52.41 H new ATOM 0 HB3 ASP A 41 2.062 11.600 1.329 1.00 52.41 H new ATOM 666 N TYR A 42 -0.346 9.566 1.189 1.00 63.34 N ATOM 667 CA TYR A 42 -1.161 9.227 0.028 1.00 12.42 C ATOM 668 C TYR A 42 -1.875 7.895 0.234 1.00 71.11 C ATOM 669 O TYR A 42 -1.244 6.875 0.512 1.00 45.22 O ATOM 670 CB TYR A 42 -0.294 9.165 -1.230 1.00 41.12 C ATOM 671 CG TYR A 42 -1.065 8.805 -2.480 1.00 30.21 C ATOM 672 CD1 TYR A 42 -2.336 9.318 -2.708 1.00 0.34 C ATOM 673 CD2 TYR A 42 -0.524 7.950 -3.432 1.00 45.32 C ATOM 674 CE1 TYR A 42 -3.045 8.991 -3.848 1.00 3.44 C ATOM 675 CE2 TYR A 42 -1.224 7.619 -4.576 1.00 13.24 C ATOM 676 CZ TYR A 42 -2.484 8.142 -4.779 1.00 35.03 C ATOM 677 OH TYR A 42 -3.186 7.813 -5.916 1.00 14.42 O ATOM 0 H TYR A 42 0.123 8.770 1.621 1.00 63.34 H new ATOM 0 HA TYR A 42 -1.913 10.006 -0.096 1.00 12.42 H new ATOM 0 HB2 TYR A 42 0.188 10.131 -1.377 1.00 41.12 H new ATOM 0 HB3 TYR A 42 0.499 8.433 -1.079 1.00 41.12 H new ATOM 0 HD1 TYR A 42 -2.777 9.984 -1.981 1.00 0.34 H new ATOM 0 HD2 TYR A 42 0.461 7.537 -3.275 1.00 45.32 H new ATOM 0 HE1 TYR A 42 -4.032 9.398 -4.009 1.00 3.44 H new ATOM 0 HE2 TYR A 42 -0.787 6.955 -5.307 1.00 13.24 H new ATOM 0 HH TYR A 42 -4.057 8.263 -5.905 1.00 14.42 H new ATOM 687 N PHE A 43 -3.197 7.911 0.095 1.00 45.54 N ATOM 688 CA PHE A 43 -3.998 6.706 0.265 1.00 35.50 C ATOM 689 C PHE A 43 -5.007 6.558 -0.871 1.00 24.32 C ATOM 690 O PHE A 43 -5.911 7.380 -1.023 1.00 64.23 O ATOM 691 CB PHE A 43 -4.729 6.739 1.609 1.00 22.12 C ATOM 692 CG PHE A 43 -4.833 5.393 2.268 1.00 0.33 C ATOM 693 CD1 PHE A 43 -4.782 4.232 1.514 1.00 21.05 C ATOM 694 CD2 PHE A 43 -4.983 5.290 3.642 1.00 64.20 C ATOM 695 CE1 PHE A 43 -4.877 2.992 2.118 1.00 51.11 C ATOM 696 CE2 PHE A 43 -5.078 4.053 4.251 1.00 61.10 C ATOM 697 CZ PHE A 43 -5.026 2.903 3.488 1.00 73.40 C ATOM 0 H PHE A 43 -3.736 8.746 -0.135 1.00 45.54 H new ATOM 0 HA PHE A 43 -3.326 5.848 0.245 1.00 35.50 H new ATOM 0 HB2 PHE A 43 -4.210 7.424 2.279 1.00 22.12 H new ATOM 0 HB3 PHE A 43 -5.732 7.139 1.459 1.00 22.12 H new ATOM 0 HD1 PHE A 43 -4.667 4.296 0.442 1.00 21.05 H new ATOM 0 HD2 PHE A 43 -5.026 6.186 4.243 1.00 64.20 H new ATOM 0 HE1 PHE A 43 -4.835 2.094 1.519 1.00 51.11 H new ATOM 0 HE2 PHE A 43 -5.193 3.986 5.323 1.00 61.10 H new ATOM 0 HZ PHE A 43 -5.102 1.936 3.962 1.00 73.40 H new ATOM 707 N ILE A 44 -4.844 5.505 -1.665 1.00 22.00 N ATOM 708 CA ILE A 44 -5.739 5.249 -2.786 1.00 72.13 C ATOM 709 C ILE A 44 -6.107 3.771 -2.870 1.00 11.43 C ATOM 710 O ILE A 44 -5.245 2.916 -3.072 1.00 41.21 O ATOM 711 CB ILE A 44 -5.108 5.685 -4.122 1.00 12.43 C ATOM 712 CG1 ILE A 44 -5.900 5.109 -5.297 1.00 42.14 C ATOM 713 CG2 ILE A 44 -3.653 5.245 -4.189 1.00 15.30 C ATOM 714 CD1 ILE A 44 -6.023 6.060 -6.467 1.00 41.21 C ATOM 0 H ILE A 44 -4.101 4.816 -1.553 1.00 22.00 H new ATOM 0 HA ILE A 44 -6.640 5.836 -2.610 1.00 72.13 H new ATOM 0 HB ILE A 44 -5.141 6.773 -4.185 1.00 12.43 H new ATOM 0 HG12 ILE A 44 -5.418 4.191 -5.634 1.00 42.14 H new ATOM 0 HG13 ILE A 44 -6.898 4.837 -4.954 1.00 42.14 H new ATOM 0 HG21 ILE A 44 -3.221 5.560 -5.139 1.00 15.30 H new ATOM 0 HG22 ILE A 44 -3.097 5.700 -3.369 1.00 15.30 H new ATOM 0 HG23 ILE A 44 -3.597 4.159 -4.107 1.00 15.30 H new ATOM 0 HD11 ILE A 44 -6.596 5.585 -7.263 1.00 41.21 H new ATOM 0 HD12 ILE A 44 -6.532 6.969 -6.145 1.00 41.21 H new ATOM 0 HD13 ILE A 44 -5.029 6.312 -6.837 1.00 41.21 H new ATOM 726 N VAL A 45 -7.394 3.478 -2.714 1.00 32.20 N ATOM 727 CA VAL A 45 -7.878 2.104 -2.775 1.00 23.34 C ATOM 728 C VAL A 45 -8.898 1.929 -3.894 1.00 12.04 C ATOM 729 O VAL A 45 -9.592 2.873 -4.268 1.00 15.22 O ATOM 730 CB VAL A 45 -8.516 1.674 -1.440 1.00 54.15 C ATOM 731 CG1 VAL A 45 -8.567 0.157 -1.337 1.00 15.44 C ATOM 732 CG2 VAL A 45 -7.753 2.272 -0.268 1.00 72.41 C ATOM 0 H VAL A 45 -8.120 4.174 -2.544 1.00 32.20 H new ATOM 0 HA VAL A 45 -7.013 1.472 -2.976 1.00 23.34 H new ATOM 0 HB VAL A 45 -9.538 2.051 -1.407 1.00 54.15 H new ATOM 0 HG11 VAL A 45 -9.021 -0.128 -0.388 1.00 15.44 H new ATOM 0 HG12 VAL A 45 -9.161 -0.244 -2.158 1.00 15.44 H new ATOM 0 HG13 VAL A 45 -7.556 -0.246 -1.391 1.00 15.44 H new ATOM 0 HG21 VAL A 45 -8.217 1.958 0.667 1.00 72.41 H new ATOM 0 HG22 VAL A 45 -6.719 1.928 -0.293 1.00 72.41 H new ATOM 0 HG23 VAL A 45 -7.775 3.360 -0.336 1.00 72.41 H new ATOM 742 N GLY A 46 -8.984 0.713 -4.425 1.00 31.15 N ATOM 743 CA GLY A 46 -9.923 0.436 -5.496 1.00 31.12 C ATOM 744 C GLY A 46 -10.406 -1.001 -5.486 1.00 52.12 C ATOM 745 O GLY A 46 -9.606 -1.930 -5.387 1.00 62.23 O ATOM 0 H GLY A 46 -8.420 -0.085 -4.132 1.00 31.15 H new ATOM 0 HA2 GLY A 46 -10.779 1.105 -5.406 1.00 31.12 H new ATOM 0 HA3 GLY A 46 -9.450 0.651 -6.454 1.00 31.12 H new ATOM 749 N GLU A 47 -11.719 -1.183 -5.588 1.00 11.14 N ATOM 750 CA GLU A 47 -12.307 -2.517 -5.587 1.00 62.45 C ATOM 751 C GLU A 47 -12.442 -3.052 -7.010 1.00 74.32 C ATOM 752 O GLU A 47 -12.902 -2.347 -7.908 1.00 32.24 O ATOM 753 CB GLU A 47 -13.677 -2.495 -4.906 1.00 61.45 C ATOM 754 CG GLU A 47 -14.437 -3.806 -5.025 1.00 44.10 C ATOM 755 CD GLU A 47 -15.187 -4.162 -3.756 1.00 63.33 C ATOM 756 OE1 GLU A 47 -16.148 -3.442 -3.414 1.00 5.33 O ATOM 757 OE2 GLU A 47 -14.813 -5.161 -3.106 1.00 51.31 O ATOM 0 H GLU A 47 -12.395 -0.424 -5.672 1.00 11.14 H new ATOM 0 HA GLU A 47 -11.644 -3.178 -5.029 1.00 62.45 H new ATOM 0 HB2 GLU A 47 -13.545 -2.256 -3.851 1.00 61.45 H new ATOM 0 HB3 GLU A 47 -14.277 -1.696 -5.341 1.00 61.45 H new ATOM 0 HG2 GLU A 47 -15.143 -3.739 -5.853 1.00 44.10 H new ATOM 0 HG3 GLU A 47 -13.738 -4.607 -5.266 1.00 44.10 H new ATOM 875 N PRO A 56 -15.117 -10.548 -6.098 1.00 23.32 N ATOM 876 CA PRO A 56 -14.569 -9.256 -5.673 1.00 73.35 C ATOM 877 C PRO A 56 -13.132 -9.370 -5.178 1.00 21.55 C ATOM 878 O PRO A 56 -12.775 -10.331 -4.495 1.00 25.11 O ATOM 879 CB PRO A 56 -15.497 -8.836 -4.531 1.00 54.21 C ATOM 880 CG PRO A 56 -16.048 -10.114 -4.000 1.00 62.21 C ATOM 881 CD PRO A 56 -16.159 -11.039 -5.180 1.00 62.25 C ATOM 0 HA PRO A 56 -14.530 -8.540 -6.494 1.00 73.35 H new ATOM 0 HB2 PRO A 56 -14.954 -8.289 -3.761 1.00 54.21 H new ATOM 0 HB3 PRO A 56 -16.291 -8.180 -4.887 1.00 54.21 H new ATOM 0 HG2 PRO A 56 -15.394 -10.533 -3.236 1.00 62.21 H new ATOM 0 HG3 PRO A 56 -17.021 -9.956 -3.535 1.00 62.21 H new ATOM 0 HD2 PRO A 56 -15.987 -12.077 -4.895 1.00 62.25 H new ATOM 0 HD3 PRO A 56 -17.149 -10.994 -5.634 1.00 62.25 H new ATOM 889 N HIS A 57 -12.311 -8.384 -5.524 1.00 61.35 N ATOM 890 CA HIS A 57 -10.912 -8.374 -5.113 1.00 65.00 C ATOM 891 C HIS A 57 -10.470 -6.966 -4.724 1.00 31.54 C ATOM 892 O HIS A 57 -10.826 -5.988 -5.382 1.00 60.33 O ATOM 893 CB HIS A 57 -10.023 -8.907 -6.238 1.00 14.22 C ATOM 894 CG HIS A 57 -8.561 -8.687 -6.001 1.00 61.51 C ATOM 895 ND1 HIS A 57 -7.828 -7.725 -6.662 1.00 3.52 N ATOM 896 CD2 HIS A 57 -7.695 -9.312 -5.169 1.00 32.30 C ATOM 897 CE1 HIS A 57 -6.574 -7.768 -6.248 1.00 1.34 C ATOM 898 NE2 HIS A 57 -6.467 -8.722 -5.341 1.00 72.42 N ATOM 0 H HIS A 57 -12.590 -7.581 -6.088 1.00 61.35 H new ATOM 0 HA HIS A 57 -10.811 -9.022 -4.242 1.00 65.00 H new ATOM 0 HB2 HIS A 57 -10.206 -9.975 -6.360 1.00 14.22 H new ATOM 0 HB3 HIS A 57 -10.307 -8.426 -7.174 1.00 14.22 H new ATOM 0 HD1 HIS A 57 -8.196 -7.080 -7.362 1.00 3.52 H new ATOM 0 HD2 HIS A 57 -7.927 -10.124 -4.495 1.00 32.30 H new ATOM 0 HE1 HIS A 57 -5.773 -7.131 -6.593 1.00 1.34 H new ATOM 906 N LEU A 58 -9.694 -6.871 -3.650 1.00 30.13 N ATOM 907 CA LEU A 58 -9.204 -5.583 -3.172 1.00 12.23 C ATOM 908 C LEU A 58 -7.822 -5.281 -3.741 1.00 4.34 C ATOM 909 O LEU A 58 -6.932 -6.131 -3.719 1.00 33.23 O ATOM 910 CB LEU A 58 -9.153 -5.570 -1.643 1.00 12.31 C ATOM 911 CG LEU A 58 -9.770 -4.348 -0.961 1.00 52.02 C ATOM 912 CD1 LEU A 58 -9.529 -4.396 0.540 1.00 54.33 C ATOM 913 CD2 LEU A 58 -9.206 -3.065 -1.553 1.00 44.12 C ATOM 0 H LEU A 58 -9.391 -7.670 -3.094 1.00 30.13 H new ATOM 0 HA LEU A 58 -9.893 -4.811 -3.513 1.00 12.23 H new ATOM 0 HB2 LEU A 58 -9.661 -6.462 -1.275 1.00 12.31 H new ATOM 0 HB3 LEU A 58 -8.111 -5.646 -1.334 1.00 12.31 H new ATOM 0 HG LEU A 58 -10.846 -4.363 -1.136 1.00 52.02 H new ATOM 0 HD11 LEU A 58 -9.975 -3.519 1.008 1.00 54.33 H new ATOM 0 HD12 LEU A 58 -9.982 -5.297 0.953 1.00 54.33 H new ATOM 0 HD13 LEU A 58 -8.457 -4.406 0.736 1.00 54.33 H new ATOM 0 HD21 LEU A 58 -9.656 -2.206 -1.056 1.00 44.12 H new ATOM 0 HD22 LEU A 58 -8.126 -3.042 -1.409 1.00 44.12 H new ATOM 0 HD23 LEU A 58 -9.431 -3.026 -2.619 1.00 44.12 H new ATOM 925 N GLN A 59 -7.649 -4.064 -4.247 1.00 64.21 N ATOM 926 CA GLN A 59 -6.373 -3.650 -4.820 1.00 73.11 C ATOM 927 C GLN A 59 -6.174 -2.145 -4.674 1.00 71.14 C ATOM 928 O GLN A 59 -6.875 -1.352 -5.302 1.00 31.42 O ATOM 929 CB GLN A 59 -6.301 -4.046 -6.296 1.00 40.40 C ATOM 930 CG GLN A 59 -5.162 -3.378 -7.050 1.00 13.43 C ATOM 931 CD GLN A 59 -3.800 -3.747 -6.496 1.00 71.25 C ATOM 932 OE1 GLN A 59 -3.248 -4.797 -6.826 1.00 25.11 O ATOM 933 NE2 GLN A 59 -3.250 -2.884 -5.650 1.00 54.14 N ATOM 0 H GLN A 59 -8.375 -3.348 -4.272 1.00 64.21 H new ATOM 0 HA GLN A 59 -5.576 -4.157 -4.276 1.00 73.11 H new ATOM 0 HB2 GLN A 59 -6.189 -5.128 -6.368 1.00 40.40 H new ATOM 0 HB3 GLN A 59 -7.244 -3.791 -6.779 1.00 40.40 H new ATOM 0 HG2 GLN A 59 -5.211 -3.662 -8.101 1.00 13.43 H new ATOM 0 HG3 GLN A 59 -5.287 -2.296 -7.006 1.00 13.43 H new ATOM 0 HE21 GLN A 59 -3.743 -2.026 -5.404 1.00 54.14 H new ATOM 0 HE22 GLN A 59 -2.334 -3.079 -5.246 1.00 54.14 H new ATOM 942 N GLY A 60 -5.213 -1.758 -3.841 1.00 62.03 N ATOM 943 CA GLY A 60 -4.939 -0.349 -3.628 1.00 10.02 C ATOM 944 C GLY A 60 -3.502 -0.093 -3.220 1.00 2.14 C ATOM 945 O GLY A 60 -2.738 -1.030 -2.989 1.00 20.53 O ATOM 0 H GLY A 60 -4.619 -2.395 -3.310 1.00 62.03 H new ATOM 0 HA2 GLY A 60 -5.158 0.203 -4.542 1.00 10.02 H new ATOM 0 HA3 GLY A 60 -5.606 0.035 -2.857 1.00 10.02 H new ATOM 949 N PHE A 61 -3.131 1.180 -3.132 1.00 12.22 N ATOM 950 CA PHE A 61 -1.775 1.557 -2.751 1.00 42.14 C ATOM 951 C PHE A 61 -1.792 2.639 -1.675 1.00 75.40 C ATOM 952 O PHE A 61 -2.615 3.553 -1.712 1.00 50.15 O ATOM 953 CB PHE A 61 -0.998 2.051 -3.974 1.00 32.13 C ATOM 954 CG PHE A 61 0.265 2.785 -3.625 1.00 12.21 C ATOM 955 CD1 PHE A 61 1.251 2.174 -2.867 1.00 75.21 C ATOM 956 CD2 PHE A 61 0.467 4.087 -4.055 1.00 74.34 C ATOM 957 CE1 PHE A 61 2.413 2.848 -2.544 1.00 62.42 C ATOM 958 CE2 PHE A 61 1.627 4.765 -3.736 1.00 5.51 C ATOM 959 CZ PHE A 61 2.602 4.145 -2.980 1.00 65.41 C ATOM 0 H PHE A 61 -3.751 1.968 -3.319 1.00 12.22 H new ATOM 0 HA PHE A 61 -1.280 0.674 -2.346 1.00 42.14 H new ATOM 0 HB2 PHE A 61 -0.750 1.198 -4.606 1.00 32.13 H new ATOM 0 HB3 PHE A 61 -1.640 2.707 -4.562 1.00 32.13 H new ATOM 0 HD1 PHE A 61 1.110 1.159 -2.525 1.00 75.21 H new ATOM 0 HD2 PHE A 61 -0.292 4.577 -4.647 1.00 74.34 H new ATOM 0 HE1 PHE A 61 3.173 2.361 -1.951 1.00 62.42 H new ATOM 0 HE2 PHE A 61 1.771 5.779 -4.078 1.00 5.51 H new ATOM 0 HZ PHE A 61 3.510 4.673 -2.730 1.00 65.41 H new ATOM 969 N ALA A 62 -0.879 2.526 -0.716 1.00 60.24 N ATOM 970 CA ALA A 62 -0.788 3.494 0.370 1.00 61.43 C ATOM 971 C ALA A 62 0.660 3.897 0.626 1.00 63.31 C ATOM 972 O ALA A 62 1.522 3.046 0.841 1.00 23.12 O ATOM 973 CB ALA A 62 -1.412 2.926 1.636 1.00 3.01 C ATOM 0 H ALA A 62 -0.192 1.774 -0.669 1.00 60.24 H new ATOM 0 HA ALA A 62 -1.339 4.387 0.075 1.00 61.43 H new ATOM 0 HB1 ALA A 62 -1.337 3.659 2.439 1.00 3.01 H new ATOM 0 HB2 ALA A 62 -2.461 2.695 1.452 1.00 3.01 H new ATOM 0 HB3 ALA A 62 -0.885 2.017 1.925 1.00 3.01 H new ATOM 979 N ASN A 63 0.920 5.200 0.600 1.00 24.11 N ATOM 980 CA ASN A 63 2.265 5.715 0.828 1.00 4.54 C ATOM 981 C ASN A 63 2.467 6.079 2.296 1.00 14.33 C ATOM 982 O ASN A 63 1.836 7.003 2.810 1.00 0.51 O ATOM 983 CB ASN A 63 2.521 6.941 -0.052 1.00 34.41 C ATOM 984 CG ASN A 63 3.929 7.481 0.103 1.00 23.51 C ATOM 985 OD1 ASN A 63 4.353 7.833 1.204 1.00 41.22 O ATOM 986 ND2 ASN A 63 4.662 7.548 -1.002 1.00 71.34 N ATOM 0 H ASN A 63 0.217 5.918 0.423 1.00 24.11 H new ATOM 0 HA ASN A 63 2.976 4.932 0.565 1.00 4.54 H new ATOM 0 HB2 ASN A 63 2.349 6.678 -1.096 1.00 34.41 H new ATOM 0 HB3 ASN A 63 1.805 7.723 0.202 1.00 34.41 H new ATOM 0 HD21 ASN A 63 5.618 7.902 -0.959 1.00 71.34 H new ATOM 0 HD22 ASN A 63 4.270 7.245 -1.893 1.00 71.34 H new ATOM 993 N PHE A 64 3.350 5.346 2.966 1.00 10.41 N ATOM 994 CA PHE A 64 3.635 5.591 4.375 1.00 13.12 C ATOM 995 C PHE A 64 4.373 6.914 4.559 1.00 15.12 C ATOM 996 O PHE A 64 5.359 7.188 3.876 1.00 40.15 O ATOM 997 CB PHE A 64 4.466 4.445 4.956 1.00 42.42 C ATOM 998 CG PHE A 64 3.711 3.593 5.936 1.00 41.54 C ATOM 999 CD1 PHE A 64 3.429 4.063 7.209 1.00 63.34 C ATOM 1000 CD2 PHE A 64 3.283 2.324 5.584 1.00 72.33 C ATOM 1001 CE1 PHE A 64 2.735 3.280 8.112 1.00 5.42 C ATOM 1002 CE2 PHE A 64 2.588 1.537 6.483 1.00 20.11 C ATOM 1003 CZ PHE A 64 2.313 2.017 7.749 1.00 62.53 C ATOM 0 H PHE A 64 3.881 4.577 2.556 1.00 10.41 H new ATOM 0 HA PHE A 64 2.685 5.648 4.907 1.00 13.12 H new ATOM 0 HB2 PHE A 64 4.823 3.816 4.140 1.00 42.42 H new ATOM 0 HB3 PHE A 64 5.346 4.859 5.449 1.00 42.42 H new ATOM 0 HD1 PHE A 64 3.755 5.051 7.498 1.00 63.34 H new ATOM 0 HD2 PHE A 64 3.495 1.945 4.595 1.00 72.33 H new ATOM 0 HE1 PHE A 64 2.523 3.656 9.102 1.00 5.42 H new ATOM 0 HE2 PHE A 64 2.261 0.549 6.196 1.00 20.11 H new ATOM 0 HZ PHE A 64 1.769 1.405 8.453 1.00 62.53 H new ATOM 1013 N VAL A 65 3.886 7.732 5.488 1.00 64.24 N ATOM 1014 CA VAL A 65 4.499 9.026 5.763 1.00 32.00 C ATOM 1015 C VAL A 65 5.939 8.863 6.235 1.00 43.12 C ATOM 1016 O VAL A 65 6.759 9.770 6.087 1.00 22.32 O ATOM 1017 CB VAL A 65 3.706 9.807 6.828 1.00 24.55 C ATOM 1018 CG1 VAL A 65 4.458 11.064 7.238 1.00 33.02 C ATOM 1019 CG2 VAL A 65 2.317 10.150 6.313 1.00 31.22 C ATOM 0 H VAL A 65 3.070 7.521 6.062 1.00 64.24 H new ATOM 0 HA VAL A 65 4.488 9.587 4.828 1.00 32.00 H new ATOM 0 HB VAL A 65 3.595 9.175 7.709 1.00 24.55 H new ATOM 0 HG11 VAL A 65 3.883 11.603 7.991 1.00 33.02 H new ATOM 0 HG12 VAL A 65 5.428 10.789 7.651 1.00 33.02 H new ATOM 0 HG13 VAL A 65 4.602 11.702 6.366 1.00 33.02 H new ATOM 0 HG21 VAL A 65 1.771 10.702 7.078 1.00 31.22 H new ATOM 0 HG22 VAL A 65 2.403 10.763 5.416 1.00 31.22 H new ATOM 0 HG23 VAL A 65 1.780 9.232 6.075 1.00 31.22 H new ATOM 1029 N LYS A 66 6.242 7.701 6.803 1.00 61.20 N ATOM 1030 CA LYS A 66 7.584 7.416 7.296 1.00 45.22 C ATOM 1031 C LYS A 66 8.102 6.096 6.733 1.00 2.31 C ATOM 1032 O LYS A 66 7.456 5.472 5.891 1.00 42.53 O ATOM 1033 CB LYS A 66 7.589 7.367 8.825 1.00 11.43 C ATOM 1034 CG LYS A 66 6.478 6.512 9.410 1.00 51.32 C ATOM 1035 CD LYS A 66 5.270 7.352 9.791 1.00 60.30 C ATOM 1036 CE LYS A 66 5.337 7.798 11.244 1.00 61.44 C ATOM 1037 NZ LYS A 66 4.287 7.145 12.073 1.00 31.33 N ATOM 0 H LYS A 66 5.575 6.940 6.933 1.00 61.20 H new ATOM 0 HA LYS A 66 8.244 8.217 6.962 1.00 45.22 H new ATOM 0 HB2 LYS A 66 8.550 6.981 9.165 1.00 11.43 H new ATOM 0 HB3 LYS A 66 7.498 8.382 9.213 1.00 11.43 H new ATOM 0 HG2 LYS A 66 6.181 5.754 8.685 1.00 51.32 H new ATOM 0 HG3 LYS A 66 6.848 5.985 10.289 1.00 51.32 H new ATOM 0 HD2 LYS A 66 5.215 8.227 9.143 1.00 60.30 H new ATOM 0 HD3 LYS A 66 4.359 6.776 9.628 1.00 60.30 H new ATOM 0 HE2 LYS A 66 6.320 7.562 11.651 1.00 61.44 H new ATOM 0 HE3 LYS A 66 5.221 8.880 11.297 1.00 61.44 H new ATOM 0 HZ1 LYS A 66 4.366 7.475 13.056 1.00 31.33 H new ATOM 0 HZ2 LYS A 66 3.348 7.390 11.700 1.00 31.33 H new ATOM 0 HZ3 LYS A 66 4.413 6.113 12.043 1.00 31.33 H new ATOM 1051 N LYS A 67 9.271 5.675 7.205 1.00 53.02 N ATOM 1052 CA LYS A 67 9.875 4.428 6.751 1.00 34.34 C ATOM 1053 C LYS A 67 9.349 3.244 7.558 1.00 41.34 C ATOM 1054 O LYS A 67 9.449 3.225 8.784 1.00 33.10 O ATOM 1055 CB LYS A 67 11.399 4.502 6.869 1.00 15.55 C ATOM 1056 CG LYS A 67 12.039 5.461 5.881 1.00 51.32 C ATOM 1057 CD LYS A 67 12.710 4.718 4.738 1.00 51.11 C ATOM 1058 CE LYS A 67 14.225 4.831 4.813 1.00 31.21 C ATOM 1059 NZ LYS A 67 14.848 4.845 3.461 1.00 52.15 N ATOM 0 H LYS A 67 9.819 6.179 7.902 1.00 53.02 H new ATOM 0 HA LYS A 67 9.605 4.282 5.705 1.00 34.34 H new ATOM 0 HB2 LYS A 67 11.662 4.807 7.882 1.00 15.55 H new ATOM 0 HB3 LYS A 67 11.816 3.506 6.718 1.00 15.55 H new ATOM 0 HG2 LYS A 67 11.280 6.135 5.483 1.00 51.32 H new ATOM 0 HG3 LYS A 67 12.775 6.079 6.396 1.00 51.32 H new ATOM 0 HD2 LYS A 67 12.421 3.667 4.766 1.00 51.11 H new ATOM 0 HD3 LYS A 67 12.361 5.120 3.787 1.00 51.11 H new ATOM 0 HE2 LYS A 67 14.495 5.742 5.347 1.00 31.21 H new ATOM 0 HE3 LYS A 67 14.623 3.995 5.388 1.00 31.21 H new ATOM 0 HZ1 LYS A 67 15.881 4.923 3.555 1.00 52.15 H new ATOM 0 HZ2 LYS A 67 14.612 3.964 2.961 1.00 52.15 H new ATOM 0 HZ3 LYS A 67 14.487 5.657 2.921 1.00 52.15 H new ATOM 1073 N GLN A 68 8.792 2.260 6.860 1.00 34.21 N ATOM 1074 CA GLN A 68 8.252 1.073 7.512 1.00 33.35 C ATOM 1075 C GLN A 68 8.696 -0.195 6.791 1.00 44.05 C ATOM 1076 O GLN A 68 8.933 -0.184 5.582 1.00 5.01 O ATOM 1077 CB GLN A 68 6.724 1.139 7.557 1.00 41.54 C ATOM 1078 CG GLN A 68 6.189 2.383 8.249 1.00 62.32 C ATOM 1079 CD GLN A 68 6.801 2.596 9.619 1.00 13.25 C ATOM 1080 OE1 GLN A 68 7.191 3.710 9.971 1.00 20.22 O ATOM 1081 NE2 GLN A 68 6.887 1.527 10.402 1.00 2.25 N ATOM 0 H GLN A 68 8.703 2.261 5.844 1.00 34.21 H new ATOM 0 HA GLN A 68 8.638 1.044 8.531 1.00 33.35 H new ATOM 0 HB2 GLN A 68 6.337 1.105 6.539 1.00 41.54 H new ATOM 0 HB3 GLN A 68 6.345 0.256 8.072 1.00 41.54 H new ATOM 0 HG2 GLN A 68 6.389 3.255 7.626 1.00 62.32 H new ATOM 0 HG3 GLN A 68 5.106 2.303 8.347 1.00 62.32 H new ATOM 0 HE21 GLN A 68 6.551 0.623 10.070 1.00 2.25 H new ATOM 0 HE22 GLN A 68 7.289 1.610 11.336 1.00 2.25 H new ATOM 1090 N THR A 69 8.808 -1.288 7.539 1.00 64.11 N ATOM 1091 CA THR A 69 9.226 -2.564 6.971 1.00 2.41 C ATOM 1092 C THR A 69 8.022 -3.399 6.550 1.00 44.41 C ATOM 1093 O THR A 69 6.882 -3.071 6.878 1.00 33.31 O ATOM 1094 CB THR A 69 10.074 -3.373 7.971 1.00 74.02 C ATOM 1095 OG1 THR A 69 9.236 -3.910 9.000 1.00 20.54 O ATOM 1096 CG2 THR A 69 11.155 -2.503 8.593 1.00 41.54 C ATOM 0 H THR A 69 8.615 -1.315 8.540 1.00 64.11 H new ATOM 0 HA THR A 69 9.831 -2.337 6.094 1.00 2.41 H new ATOM 0 HB THR A 69 10.554 -4.189 7.430 1.00 74.02 H new ATOM 0 HG1 THR A 69 9.782 -4.424 9.631 1.00 20.54 H new ATOM 0 HG21 THR A 69 11.740 -3.096 9.295 1.00 41.54 H new ATOM 0 HG22 THR A 69 11.808 -2.119 7.810 1.00 41.54 H new ATOM 0 HG23 THR A 69 10.692 -1.669 9.120 1.00 41.54 H new ATOM 1104 N PHE A 70 8.283 -4.479 5.822 1.00 62.22 N ATOM 1105 CA PHE A 70 7.220 -5.362 5.355 1.00 1.33 C ATOM 1106 C PHE A 70 6.466 -5.974 6.532 1.00 13.31 C ATOM 1107 O PHE A 70 5.245 -5.857 6.629 1.00 50.43 O ATOM 1108 CB PHE A 70 7.799 -6.470 4.474 1.00 73.42 C ATOM 1109 CG PHE A 70 6.911 -7.677 4.369 1.00 70.44 C ATOM 1110 CD1 PHE A 70 5.791 -7.661 3.553 1.00 30.11 C ATOM 1111 CD2 PHE A 70 7.196 -8.828 5.086 1.00 62.12 C ATOM 1112 CE1 PHE A 70 4.972 -8.770 3.454 1.00 61.23 C ATOM 1113 CE2 PHE A 70 6.381 -9.940 4.990 1.00 23.31 C ATOM 1114 CZ PHE A 70 5.267 -9.911 4.174 1.00 2.11 C ATOM 0 H PHE A 70 9.221 -4.764 5.542 1.00 62.22 H new ATOM 0 HA PHE A 70 6.520 -4.768 4.767 1.00 1.33 H new ATOM 0 HB2 PHE A 70 7.978 -6.073 3.475 1.00 73.42 H new ATOM 0 HB3 PHE A 70 8.766 -6.774 4.875 1.00 73.42 H new ATOM 0 HD1 PHE A 70 5.555 -6.771 2.988 1.00 30.11 H new ATOM 0 HD2 PHE A 70 8.065 -8.856 5.727 1.00 62.12 H new ATOM 0 HE1 PHE A 70 4.102 -8.744 2.814 1.00 61.23 H new ATOM 0 HE2 PHE A 70 6.615 -10.831 5.553 1.00 23.31 H new ATOM 0 HZ PHE A 70 4.628 -10.779 4.099 1.00 2.11 H new ATOM 1124 N ASN A 71 7.203 -6.627 7.424 1.00 32.42 N ATOM 1125 CA ASN A 71 6.604 -7.259 8.594 1.00 23.34 C ATOM 1126 C ASN A 71 5.914 -6.225 9.478 1.00 52.32 C ATOM 1127 O ASN A 71 4.833 -6.471 10.013 1.00 33.01 O ATOM 1128 CB ASN A 71 7.671 -8.003 9.400 1.00 63.53 C ATOM 1129 CG ASN A 71 7.282 -9.441 9.685 1.00 63.21 C ATOM 1130 OD1 ASN A 71 7.144 -9.841 10.841 1.00 15.21 O ATOM 1131 ND2 ASN A 71 7.105 -10.227 8.629 1.00 54.51 N ATOM 0 H ASN A 71 8.215 -6.733 7.359 1.00 32.42 H new ATOM 0 HA ASN A 71 5.856 -7.972 8.247 1.00 23.34 H new ATOM 0 HB2 ASN A 71 8.613 -7.986 8.853 1.00 63.53 H new ATOM 0 HB3 ASN A 71 7.840 -7.482 10.342 1.00 63.53 H new ATOM 0 HD21 ASN A 71 6.844 -11.204 8.759 1.00 54.51 H new ATOM 0 HD22 ASN A 71 7.230 -9.853 7.688 1.00 54.51 H new ATOM 1138 N LYS A 72 6.545 -5.065 9.626 1.00 65.22 N ATOM 1139 CA LYS A 72 5.993 -3.991 10.442 1.00 12.03 C ATOM 1140 C LYS A 72 4.693 -3.465 9.842 1.00 42.43 C ATOM 1141 O LYS A 72 3.683 -3.341 10.534 1.00 11.12 O ATOM 1142 CB LYS A 72 7.005 -2.851 10.574 1.00 13.52 C ATOM 1143 CG LYS A 72 6.429 -1.598 11.212 1.00 44.44 C ATOM 1144 CD LYS A 72 5.828 -1.892 12.576 1.00 51.24 C ATOM 1145 CE LYS A 72 5.198 -0.649 13.187 1.00 60.43 C ATOM 1146 NZ LYS A 72 6.183 0.141 13.975 1.00 3.41 N ATOM 0 H LYS A 72 7.441 -4.845 9.190 1.00 65.22 H new ATOM 0 HA LYS A 72 5.778 -4.394 11.432 1.00 12.03 H new ATOM 0 HB2 LYS A 72 7.852 -3.195 11.168 1.00 13.52 H new ATOM 0 HB3 LYS A 72 7.390 -2.601 9.585 1.00 13.52 H new ATOM 0 HG2 LYS A 72 7.213 -0.847 11.313 1.00 44.44 H new ATOM 0 HG3 LYS A 72 5.664 -1.175 10.560 1.00 44.44 H new ATOM 0 HD2 LYS A 72 5.075 -2.674 12.482 1.00 51.24 H new ATOM 0 HD3 LYS A 72 6.602 -2.273 13.242 1.00 51.24 H new ATOM 0 HE2 LYS A 72 4.783 -0.026 12.395 1.00 60.43 H new ATOM 0 HE3 LYS A 72 4.368 -0.941 13.831 1.00 60.43 H new ATOM 0 HZ1 LYS A 72 5.715 0.979 14.375 1.00 3.41 H new ATOM 0 HZ2 LYS A 72 6.561 -0.445 14.746 1.00 3.41 H new ATOM 0 HZ3 LYS A 72 6.962 0.442 13.355 1.00 3.41 H new ATOM 1160 N VAL A 73 4.726 -3.157 8.549 1.00 72.32 N ATOM 1161 CA VAL A 73 3.550 -2.647 7.855 1.00 53.15 C ATOM 1162 C VAL A 73 2.356 -3.577 8.038 1.00 21.43 C ATOM 1163 O VAL A 73 1.204 -3.151 7.957 1.00 32.14 O ATOM 1164 CB VAL A 73 3.820 -2.468 6.349 1.00 63.42 C ATOM 1165 CG1 VAL A 73 2.519 -2.236 5.596 1.00 2.41 C ATOM 1166 CG2 VAL A 73 4.793 -1.323 6.115 1.00 44.30 C ATOM 0 H VAL A 73 5.554 -3.252 7.961 1.00 72.32 H new ATOM 0 HA VAL A 73 3.321 -1.676 8.294 1.00 53.15 H new ATOM 0 HB VAL A 73 4.273 -3.383 5.968 1.00 63.42 H new ATOM 0 HG11 VAL A 73 2.730 -2.112 4.534 1.00 2.41 H new ATOM 0 HG12 VAL A 73 1.859 -3.092 5.737 1.00 2.41 H new ATOM 0 HG13 VAL A 73 2.034 -1.337 5.977 1.00 2.41 H new ATOM 0 HG21 VAL A 73 4.972 -1.211 5.046 1.00 44.30 H new ATOM 0 HG22 VAL A 73 4.370 -0.400 6.511 1.00 44.30 H new ATOM 0 HG23 VAL A 73 5.735 -1.537 6.620 1.00 44.30 H new ATOM 1176 N LYS A 74 2.639 -4.852 8.287 1.00 40.41 N ATOM 1177 CA LYS A 74 1.590 -5.844 8.485 1.00 74.44 C ATOM 1178 C LYS A 74 0.770 -5.529 9.732 1.00 43.01 C ATOM 1179 O LYS A 74 -0.294 -6.109 9.950 1.00 43.43 O ATOM 1180 CB LYS A 74 2.198 -7.244 8.602 1.00 44.44 C ATOM 1181 CG LYS A 74 3.031 -7.647 7.397 1.00 20.32 C ATOM 1182 CD LYS A 74 2.807 -9.104 7.027 1.00 12.12 C ATOM 1183 CE LYS A 74 1.974 -9.236 5.761 1.00 3.41 C ATOM 1184 NZ LYS A 74 1.922 -10.642 5.275 1.00 30.34 N ATOM 0 H LYS A 74 3.587 -5.222 8.356 1.00 40.41 H new ATOM 0 HA LYS A 74 0.928 -5.813 7.619 1.00 74.44 H new ATOM 0 HB2 LYS A 74 2.821 -7.287 9.495 1.00 44.44 H new ATOM 0 HB3 LYS A 74 1.396 -7.969 8.738 1.00 44.44 H new ATOM 0 HG2 LYS A 74 2.776 -7.012 6.549 1.00 20.32 H new ATOM 0 HG3 LYS A 74 4.087 -7.483 7.612 1.00 20.32 H new ATOM 0 HD2 LYS A 74 3.769 -9.596 6.884 1.00 12.12 H new ATOM 0 HD3 LYS A 74 2.306 -9.616 7.848 1.00 12.12 H new ATOM 0 HE2 LYS A 74 0.962 -8.881 5.954 1.00 3.41 H new ATOM 0 HE3 LYS A 74 2.393 -8.598 4.983 1.00 3.41 H new ATOM 0 HZ1 LYS A 74 1.345 -10.690 4.411 1.00 30.34 H new ATOM 0 HZ2 LYS A 74 2.886 -10.973 5.067 1.00 30.34 H new ATOM 0 HZ3 LYS A 74 1.499 -11.247 6.007 1.00 30.34 H new ATOM 1198 N TRP A 75 1.272 -4.607 10.546 1.00 73.22 N ATOM 1199 CA TRP A 75 0.584 -4.214 11.771 1.00 65.12 C ATOM 1200 C TRP A 75 -0.683 -3.428 11.455 1.00 35.35 C ATOM 1201 O TRP A 75 -1.584 -3.325 12.288 1.00 34.14 O ATOM 1202 CB TRP A 75 1.512 -3.377 12.654 1.00 75.40 C ATOM 1203 CG TRP A 75 1.616 -1.947 12.218 1.00 32.23 C ATOM 1204 CD1 TRP A 75 1.705 -1.485 10.936 1.00 35.41 C ATOM 1205 CD2 TRP A 75 1.644 -0.793 13.065 1.00 21.23 C ATOM 1206 NE1 TRP A 75 1.786 -0.114 10.935 1.00 3.31 N ATOM 1207 CE2 TRP A 75 1.750 0.335 12.229 1.00 44.13 C ATOM 1208 CE3 TRP A 75 1.588 -0.603 14.449 1.00 52.04 C ATOM 1209 CZ2 TRP A 75 1.803 1.632 12.732 1.00 54.20 C ATOM 1210 CZ3 TRP A 75 1.640 0.685 14.946 1.00 21.05 C ATOM 1211 CH2 TRP A 75 1.746 1.789 14.090 1.00 12.12 C ATOM 0 H TRP A 75 2.152 -4.118 10.380 1.00 73.22 H new ATOM 0 HA TRP A 75 0.302 -5.120 12.308 1.00 65.12 H new ATOM 0 HB2 TRP A 75 1.151 -3.411 13.682 1.00 75.40 H new ATOM 0 HB3 TRP A 75 2.506 -3.824 12.650 1.00 75.40 H new ATOM 0 HD1 TRP A 75 1.711 -2.106 10.053 1.00 35.41 H new ATOM 0 HE1 TRP A 75 1.861 0.475 10.105 1.00 3.31 H new ATOM 0 HE3 TRP A 75 1.506 -1.447 15.117 1.00 52.04 H new ATOM 0 HZ2 TRP A 75 1.886 2.484 12.074 1.00 54.20 H new ATOM 0 HZ3 TRP A 75 1.598 0.844 16.013 1.00 21.05 H new ATOM 0 HH2 TRP A 75 1.783 2.783 14.510 1.00 12.12 H new ATOM 1222 N TYR A 76 -0.747 -2.876 10.249 1.00 33.10 N ATOM 1223 CA TYR A 76 -1.905 -2.097 9.825 1.00 21.52 C ATOM 1224 C TYR A 76 -2.651 -2.801 8.696 1.00 72.50 C ATOM 1225 O TYR A 76 -3.868 -2.982 8.758 1.00 70.50 O ATOM 1226 CB TYR A 76 -1.470 -0.703 9.372 1.00 4.11 C ATOM 1227 CG TYR A 76 -1.747 0.379 10.391 1.00 21.03 C ATOM 1228 CD1 TYR A 76 -2.936 0.396 11.110 1.00 50.25 C ATOM 1229 CD2 TYR A 76 -0.819 1.384 10.637 1.00 62.42 C ATOM 1230 CE1 TYR A 76 -3.194 1.383 12.041 1.00 3.10 C ATOM 1231 CE2 TYR A 76 -1.067 2.374 11.568 1.00 73.25 C ATOM 1232 CZ TYR A 76 -2.256 2.370 12.267 1.00 73.53 C ATOM 1233 OH TYR A 76 -2.509 3.354 13.195 1.00 64.42 O ATOM 0 H TYR A 76 -0.011 -2.953 9.547 1.00 33.10 H new ATOM 0 HA TYR A 76 -2.578 -2.001 10.677 1.00 21.52 H new ATOM 0 HB2 TYR A 76 -0.403 -0.718 9.152 1.00 4.11 H new ATOM 0 HB3 TYR A 76 -1.983 -0.455 8.443 1.00 4.11 H new ATOM 0 HD1 TYR A 76 -3.671 -0.376 10.938 1.00 50.25 H new ATOM 0 HD2 TYR A 76 0.113 1.391 10.091 1.00 62.42 H new ATOM 0 HE1 TYR A 76 -4.125 1.383 12.589 1.00 3.10 H new ATOM 0 HE2 TYR A 76 -0.334 3.147 11.747 1.00 73.25 H new ATOM 0 HH TYR A 76 -1.664 3.659 13.587 1.00 64.42 H new ATOM 1243 N LEU A 77 -1.913 -3.197 7.665 1.00 72.13 N ATOM 1244 CA LEU A 77 -2.503 -3.883 6.520 1.00 11.31 C ATOM 1245 C LEU A 77 -2.894 -5.312 6.883 1.00 4.22 C ATOM 1246 O LEU A 77 -3.599 -5.984 6.132 1.00 43.55 O ATOM 1247 CB LEU A 77 -1.523 -3.892 5.346 1.00 61.43 C ATOM 1248 CG LEU A 77 -1.270 -2.544 4.671 1.00 11.53 C ATOM 1249 CD1 LEU A 77 -0.065 -2.626 3.747 1.00 32.31 C ATOM 1250 CD2 LEU A 77 -2.504 -2.092 3.903 1.00 3.22 C ATOM 0 H LEU A 77 -0.905 -3.055 7.598 1.00 72.13 H new ATOM 0 HA LEU A 77 -3.404 -3.343 6.229 1.00 11.31 H new ATOM 0 HB2 LEU A 77 -0.569 -4.284 5.699 1.00 61.43 H new ATOM 0 HB3 LEU A 77 -1.895 -4.588 4.594 1.00 61.43 H new ATOM 0 HG LEU A 77 -1.058 -1.807 5.445 1.00 11.53 H new ATOM 0 HD11 LEU A 77 0.099 -1.657 3.276 1.00 32.31 H new ATOM 0 HD12 LEU A 77 0.818 -2.903 4.324 1.00 32.31 H new ATOM 0 HD13 LEU A 77 -0.246 -3.377 2.978 1.00 32.31 H new ATOM 0 HD21 LEU A 77 -2.306 -1.131 3.429 1.00 3.22 H new ATOM 0 HD22 LEU A 77 -2.747 -2.830 3.139 1.00 3.22 H new ATOM 0 HD23 LEU A 77 -3.344 -1.991 4.591 1.00 3.22 H new ATOM 1262 N GLY A 78 -2.431 -5.770 8.043 1.00 53.13 N ATOM 1263 CA GLY A 78 -2.744 -7.116 8.486 1.00 12.34 C ATOM 1264 C GLY A 78 -2.092 -8.177 7.623 1.00 72.21 C ATOM 1265 O GLY A 78 -1.785 -7.935 6.456 1.00 74.20 O ATOM 0 H GLY A 78 -1.845 -5.233 8.683 1.00 53.13 H new ATOM 0 HA2 GLY A 78 -2.417 -7.241 9.518 1.00 12.34 H new ATOM 0 HA3 GLY A 78 -3.825 -7.257 8.475 1.00 12.34 H new ATOM 1269 N ALA A 79 -1.879 -9.356 8.198 1.00 64.34 N ATOM 1270 CA ALA A 79 -1.259 -10.459 7.472 1.00 11.54 C ATOM 1271 C ALA A 79 -2.242 -11.093 6.494 1.00 22.33 C ATOM 1272 O ALA A 79 -1.842 -11.648 5.471 1.00 71.15 O ATOM 1273 CB ALA A 79 -0.733 -11.502 8.447 1.00 51.11 C ATOM 0 H ALA A 79 -2.126 -9.572 9.164 1.00 64.34 H new ATOM 0 HA ALA A 79 -0.423 -10.060 6.898 1.00 11.54 H new ATOM 0 HB1 ALA A 79 -0.273 -12.320 7.892 1.00 51.11 H new ATOM 0 HB2 ALA A 79 0.009 -11.046 9.103 1.00 51.11 H new ATOM 0 HB3 ALA A 79 -1.558 -11.889 9.046 1.00 51.11 H new ATOM 1279 N ARG A 80 -3.528 -11.009 6.817 1.00 53.44 N ATOM 1280 CA ARG A 80 -4.568 -11.577 5.967 1.00 42.32 C ATOM 1281 C ARG A 80 -4.440 -11.065 4.535 1.00 4.20 C ATOM 1282 O ARG A 80 -4.569 -11.829 3.578 1.00 30.31 O ATOM 1283 CB ARG A 80 -5.952 -11.234 6.520 1.00 33.41 C ATOM 1284 CG ARG A 80 -6.133 -11.606 7.983 1.00 64.22 C ATOM 1285 CD ARG A 80 -7.529 -12.143 8.253 1.00 34.20 C ATOM 1286 NE ARG A 80 -7.636 -13.568 7.951 1.00 22.11 N ATOM 1287 CZ ARG A 80 -8.775 -14.249 8.011 1.00 41.12 C ATOM 1288 NH1 ARG A 80 -9.899 -13.638 8.359 1.00 2.11 N ATOM 1289 NH2 ARG A 80 -8.791 -15.544 7.721 1.00 13.23 N ATOM 0 H ARG A 80 -3.875 -10.553 7.661 1.00 53.44 H new ATOM 0 HA ARG A 80 -4.445 -12.660 5.960 1.00 42.32 H new ATOM 0 HB2 ARG A 80 -6.126 -10.165 6.402 1.00 33.41 H new ATOM 0 HB3 ARG A 80 -6.708 -11.748 5.927 1.00 33.41 H new ATOM 0 HG2 ARG A 80 -5.393 -12.356 8.263 1.00 64.22 H new ATOM 0 HG3 ARG A 80 -5.952 -10.731 8.607 1.00 64.22 H new ATOM 0 HD2 ARG A 80 -7.786 -11.974 9.299 1.00 34.20 H new ATOM 0 HD3 ARG A 80 -8.252 -11.590 7.653 1.00 34.20 H new ATOM 0 HE ARG A 80 -6.789 -14.068 7.679 1.00 22.11 H new ATOM 0 HH11 ARG A 80 -9.891 -12.643 8.581 1.00 2.11 H new ATOM 0 HH12 ARG A 80 -10.772 -14.163 8.404 1.00 2.11 H new ATOM 0 HH21 ARG A 80 -7.928 -16.017 7.452 1.00 13.23 H new ATOM 0 HH22 ARG A 80 -9.666 -16.066 7.767 1.00 13.23 H new ATOM 1303 N CYS A 81 -4.186 -9.768 4.396 1.00 25.45 N ATOM 1304 CA CYS A 81 -4.041 -9.154 3.082 1.00 52.25 C ATOM 1305 C CYS A 81 -2.584 -9.169 2.631 1.00 10.24 C ATOM 1306 O CYS A 81 -1.687 -8.788 3.384 1.00 42.42 O ATOM 1307 CB CYS A 81 -4.565 -7.717 3.107 1.00 71.22 C ATOM 1308 SG CYS A 81 -6.170 -7.531 3.919 1.00 4.23 S ATOM 0 H CYS A 81 -4.076 -9.122 5.178 1.00 25.45 H new ATOM 0 HA CYS A 81 -4.628 -9.735 2.371 1.00 52.25 H new ATOM 0 HB2 CYS A 81 -3.837 -7.085 3.616 1.00 71.22 H new ATOM 0 HB3 CYS A 81 -4.643 -7.352 2.083 1.00 71.22 H new ATOM 0 HG CYS A 81 -6.528 -6.282 3.892 1.00 4.23 H new ATOM 1314 N HIS A 82 -2.355 -9.613 1.400 1.00 71.24 N ATOM 1315 CA HIS A 82 -1.006 -9.679 0.849 1.00 21.12 C ATOM 1316 C HIS A 82 -0.487 -8.284 0.514 1.00 31.02 C ATOM 1317 O HIS A 82 -1.136 -7.527 -0.209 1.00 21.32 O ATOM 1318 CB HIS A 82 -0.985 -10.558 -0.402 1.00 53.40 C ATOM 1319 CG HIS A 82 0.382 -11.048 -0.767 1.00 31.42 C ATOM 1320 ND1 HIS A 82 0.936 -12.194 -0.237 1.00 24.31 N ATOM 1321 CD2 HIS A 82 1.307 -10.543 -1.616 1.00 12.52 C ATOM 1322 CE1 HIS A 82 2.144 -12.371 -0.743 1.00 31.12 C ATOM 1323 NE2 HIS A 82 2.393 -11.383 -1.583 1.00 15.42 N ATOM 0 H HIS A 82 -3.086 -9.933 0.765 1.00 71.24 H new ATOM 0 HA HIS A 82 -0.354 -10.119 1.603 1.00 21.12 H new ATOM 0 HB2 HIS A 82 -1.639 -11.415 -0.244 1.00 53.40 H new ATOM 0 HB3 HIS A 82 -1.395 -9.994 -1.239 1.00 53.40 H new ATOM 0 HD2 HIS A 82 1.209 -9.646 -2.209 1.00 12.52 H new ATOM 0 HE1 HIS A 82 2.814 -13.185 -0.509 1.00 31.12 H new ATOM 0 HE2 HIS A 82 3.252 -11.263 -2.120 1.00 15.42 H new ATOM 1331 N ILE A 83 0.685 -7.951 1.045 1.00 54.32 N ATOM 1332 CA ILE A 83 1.290 -6.647 0.801 1.00 33.14 C ATOM 1333 C ILE A 83 2.593 -6.783 0.021 1.00 12.12 C ATOM 1334 O ILE A 83 3.323 -7.760 0.180 1.00 5.04 O ATOM 1335 CB ILE A 83 1.569 -5.901 2.120 1.00 61.24 C ATOM 1336 CG1 ILE A 83 2.562 -6.689 2.976 1.00 24.11 C ATOM 1337 CG2 ILE A 83 0.273 -5.668 2.881 1.00 31.23 C ATOM 1338 CD1 ILE A 83 3.011 -5.949 4.216 1.00 0.45 C ATOM 0 H ILE A 83 1.234 -8.565 1.646 1.00 54.32 H new ATOM 0 HA ILE A 83 0.575 -6.072 0.212 1.00 33.14 H new ATOM 0 HB ILE A 83 2.009 -4.932 1.886 1.00 61.24 H new ATOM 0 HG12 ILE A 83 2.105 -7.633 3.272 1.00 24.11 H new ATOM 0 HG13 ILE A 83 3.436 -6.933 2.372 1.00 24.11 H new ATOM 0 HG21 ILE A 83 0.487 -5.140 3.810 1.00 31.23 H new ATOM 0 HG22 ILE A 83 -0.404 -5.070 2.271 1.00 31.23 H new ATOM 0 HG23 ILE A 83 -0.193 -6.627 3.107 1.00 31.23 H new ATOM 0 HD11 ILE A 83 3.714 -6.568 4.774 1.00 0.45 H new ATOM 0 HD12 ILE A 83 3.498 -5.017 3.928 1.00 0.45 H new ATOM 0 HD13 ILE A 83 2.146 -5.728 4.841 1.00 0.45 H new ATOM 1350 N GLU A 84 2.878 -5.795 -0.821 1.00 54.32 N ATOM 1351 CA GLU A 84 4.094 -5.804 -1.626 1.00 32.15 C ATOM 1352 C GLU A 84 4.585 -4.383 -1.886 1.00 53.03 C ATOM 1353 O GLU A 84 3.847 -3.415 -1.701 1.00 52.12 O ATOM 1354 CB GLU A 84 3.848 -6.522 -2.954 1.00 73.30 C ATOM 1355 CG GLU A 84 4.773 -7.704 -3.187 1.00 63.54 C ATOM 1356 CD GLU A 84 5.631 -7.538 -4.427 1.00 32.20 C ATOM 1357 OE1 GLU A 84 6.368 -6.533 -4.507 1.00 23.40 O ATOM 1358 OE2 GLU A 84 5.564 -8.412 -5.317 1.00 5.24 O ATOM 0 H GLU A 84 2.284 -4.978 -0.964 1.00 54.32 H new ATOM 0 HA GLU A 84 4.863 -6.339 -1.070 1.00 32.15 H new ATOM 0 HB2 GLU A 84 2.815 -6.868 -2.984 1.00 73.30 H new ATOM 0 HB3 GLU A 84 3.969 -5.810 -3.770 1.00 73.30 H new ATOM 0 HG2 GLU A 84 5.418 -7.833 -2.318 1.00 63.54 H new ATOM 0 HG3 GLU A 84 4.179 -8.613 -3.280 1.00 63.54 H new ATOM 1365 N LYS A 85 5.836 -4.265 -2.317 1.00 21.30 N ATOM 1366 CA LYS A 85 6.428 -2.964 -2.605 1.00 33.14 C ATOM 1367 C LYS A 85 5.937 -2.428 -3.946 1.00 0.35 C ATOM 1368 O LYS A 85 5.929 -3.144 -4.946 1.00 32.52 O ATOM 1369 CB LYS A 85 7.955 -3.065 -2.612 1.00 33.43 C ATOM 1370 CG LYS A 85 8.549 -3.396 -1.253 1.00 73.35 C ATOM 1371 CD LYS A 85 9.984 -3.880 -1.375 1.00 50.04 C ATOM 1372 CE LYS A 85 10.136 -5.307 -0.870 1.00 42.44 C ATOM 1373 NZ LYS A 85 10.134 -6.293 -1.986 1.00 32.11 N ATOM 0 H LYS A 85 6.460 -5.056 -2.475 1.00 21.30 H new ATOM 0 HA LYS A 85 6.120 -2.271 -1.822 1.00 33.14 H new ATOM 0 HB2 LYS A 85 8.257 -3.830 -3.327 1.00 33.43 H new ATOM 0 HB3 LYS A 85 8.372 -2.120 -2.961 1.00 33.43 H new ATOM 0 HG2 LYS A 85 8.515 -2.513 -0.615 1.00 73.35 H new ATOM 0 HG3 LYS A 85 7.945 -4.163 -0.768 1.00 73.35 H new ATOM 0 HD2 LYS A 85 10.300 -3.826 -2.417 1.00 50.04 H new ATOM 0 HD3 LYS A 85 10.641 -3.220 -0.808 1.00 50.04 H new ATOM 0 HE2 LYS A 85 11.066 -5.396 -0.308 1.00 42.44 H new ATOM 0 HE3 LYS A 85 9.324 -5.537 -0.181 1.00 42.44 H new ATOM 0 HZ1 LYS A 85 10.240 -7.253 -1.601 1.00 32.11 H new ATOM 0 HZ2 LYS A 85 9.237 -6.226 -2.507 1.00 32.11 H new ATOM 0 HZ3 LYS A 85 10.925 -6.090 -2.630 1.00 32.11 H new ATOM 1387 N ALA A 86 5.530 -1.163 -3.959 1.00 2.44 N ATOM 1388 CA ALA A 86 5.042 -0.530 -5.177 1.00 52.34 C ATOM 1389 C ALA A 86 6.185 0.103 -5.964 1.00 10.04 C ATOM 1390 O ALA A 86 7.242 0.404 -5.409 1.00 23.41 O ATOM 1391 CB ALA A 86 3.987 0.515 -4.844 1.00 33.54 C ATOM 0 H ALA A 86 5.529 -0.556 -3.139 1.00 2.44 H new ATOM 0 HA ALA A 86 4.590 -1.302 -5.800 1.00 52.34 H new ATOM 0 HB1 ALA A 86 3.632 0.979 -5.764 1.00 33.54 H new ATOM 0 HB2 ALA A 86 3.151 0.038 -4.332 1.00 33.54 H new ATOM 0 HB3 ALA A 86 4.421 1.277 -4.197 1.00 33.54 H new ATOM 1397 N LYS A 87 5.967 0.303 -7.259 1.00 33.50 N ATOM 1398 CA LYS A 87 6.978 0.900 -8.123 1.00 1.24 C ATOM 1399 C LYS A 87 6.355 1.932 -9.057 1.00 13.20 C ATOM 1400 O LYS A 87 5.238 1.751 -9.541 1.00 44.22 O ATOM 1401 CB LYS A 87 7.685 -0.183 -8.941 1.00 34.23 C ATOM 1402 CG LYS A 87 6.826 -0.764 -10.051 1.00 30.13 C ATOM 1403 CD LYS A 87 6.883 -2.282 -10.063 1.00 72.41 C ATOM 1404 CE LYS A 87 8.243 -2.786 -10.523 1.00 14.45 C ATOM 1405 NZ LYS A 87 8.176 -3.407 -11.874 1.00 45.33 N ATOM 0 H LYS A 87 5.098 0.060 -7.734 1.00 33.50 H new ATOM 0 HA LYS A 87 7.709 1.403 -7.490 1.00 1.24 H new ATOM 0 HB2 LYS A 87 8.592 0.236 -9.376 1.00 34.23 H new ATOM 0 HB3 LYS A 87 7.994 -0.987 -8.273 1.00 34.23 H new ATOM 0 HG2 LYS A 87 5.794 -0.439 -9.922 1.00 30.13 H new ATOM 0 HG3 LYS A 87 7.163 -0.379 -11.013 1.00 30.13 H new ATOM 0 HD2 LYS A 87 6.672 -2.663 -9.064 1.00 72.41 H new ATOM 0 HD3 LYS A 87 6.108 -2.671 -10.723 1.00 72.41 H new ATOM 0 HE2 LYS A 87 8.951 -1.957 -10.539 1.00 14.45 H new ATOM 0 HE3 LYS A 87 8.622 -3.515 -9.807 1.00 14.45 H new ATOM 0 HZ1 LYS A 87 9.122 -3.738 -12.151 1.00 45.33 H new ATOM 0 HZ2 LYS A 87 7.520 -4.214 -11.853 1.00 45.33 H new ATOM 0 HZ3 LYS A 87 7.839 -2.704 -12.563 1.00 45.33 H new ATOM 1419 N GLY A 88 7.085 3.015 -9.307 1.00 52.02 N ATOM 1420 CA GLY A 88 6.587 4.059 -10.184 1.00 61.20 C ATOM 1421 C GLY A 88 6.320 5.356 -9.447 1.00 43.43 C ATOM 1422 O GLY A 88 6.756 5.535 -8.309 1.00 72.23 O ATOM 0 H GLY A 88 8.012 3.188 -8.918 1.00 52.02 H new ATOM 0 HA2 GLY A 88 7.312 4.238 -10.978 1.00 61.20 H new ATOM 0 HA3 GLY A 88 5.668 3.720 -10.662 1.00 61.20 H new ATOM 1426 N THR A 89 5.603 6.268 -10.098 1.00 21.35 N ATOM 1427 CA THR A 89 5.281 7.557 -9.499 1.00 22.24 C ATOM 1428 C THR A 89 3.845 7.582 -8.987 1.00 43.34 C ATOM 1429 O THR A 89 3.083 6.639 -9.201 1.00 4.11 O ATOM 1430 CB THR A 89 5.477 8.708 -10.503 1.00 71.34 C ATOM 1431 OG1 THR A 89 4.413 8.707 -11.462 1.00 45.13 O ATOM 1432 CG2 THR A 89 6.813 8.579 -11.220 1.00 13.21 C ATOM 0 H THR A 89 5.235 6.137 -11.040 1.00 21.35 H new ATOM 0 HA THR A 89 5.965 7.696 -8.661 1.00 22.24 H new ATOM 0 HB THR A 89 5.468 9.648 -9.951 1.00 71.34 H new ATOM 0 HG1 THR A 89 4.543 9.443 -12.096 1.00 45.13 H new ATOM 0 HG21 THR A 89 6.929 9.403 -11.924 1.00 13.21 H new ATOM 0 HG22 THR A 89 7.622 8.609 -10.490 1.00 13.21 H new ATOM 0 HG23 THR A 89 6.846 7.633 -11.760 1.00 13.21 H new ATOM 1440 N ASP A 90 3.482 8.667 -8.313 1.00 12.34 N ATOM 1441 CA ASP A 90 2.136 8.816 -7.772 1.00 55.32 C ATOM 1442 C ASP A 90 1.088 8.643 -8.868 1.00 1.03 C ATOM 1443 O ASP A 90 0.046 8.025 -8.650 1.00 64.35 O ATOM 1444 CB ASP A 90 1.977 10.186 -7.110 1.00 44.03 C ATOM 1445 CG ASP A 90 0.618 10.363 -6.463 1.00 30.32 C ATOM 1446 OD1 ASP A 90 0.455 9.937 -5.300 1.00 61.04 O ATOM 1447 OD2 ASP A 90 -0.283 10.926 -7.119 1.00 34.11 O ATOM 0 H ASP A 90 4.101 9.457 -8.128 1.00 12.34 H new ATOM 0 HA ASP A 90 1.985 8.039 -7.022 1.00 55.32 H new ATOM 0 HB2 ASP A 90 2.754 10.314 -6.357 1.00 44.03 H new ATOM 0 HB3 ASP A 90 2.125 10.966 -7.857 1.00 44.03 H new ATOM 1452 N GLN A 91 1.372 9.194 -10.043 1.00 40.04 N ATOM 1453 CA GLN A 91 0.453 9.101 -11.172 1.00 1.43 C ATOM 1454 C GLN A 91 0.319 7.659 -11.647 1.00 75.42 C ATOM 1455 O GLN A 91 -0.758 7.230 -12.061 1.00 14.12 O ATOM 1456 CB GLN A 91 0.934 9.987 -12.322 1.00 40.33 C ATOM 1457 CG GLN A 91 1.201 11.426 -11.911 1.00 44.35 C ATOM 1458 CD GLN A 91 -0.067 12.177 -11.558 1.00 0.44 C ATOM 1459 OE1 GLN A 91 -0.256 12.595 -10.415 1.00 14.31 O ATOM 1460 NE2 GLN A 91 -0.944 12.353 -12.539 1.00 14.43 N ATOM 0 H GLN A 91 2.230 9.709 -10.239 1.00 40.04 H new ATOM 0 HA GLN A 91 -0.526 9.447 -10.841 1.00 1.43 H new ATOM 0 HB2 GLN A 91 1.847 9.562 -12.740 1.00 40.33 H new ATOM 0 HB3 GLN A 91 0.186 9.977 -13.115 1.00 40.33 H new ATOM 0 HG2 GLN A 91 1.875 11.436 -11.054 1.00 44.35 H new ATOM 0 HG3 GLN A 91 1.711 11.943 -12.724 1.00 44.35 H new ATOM 0 HE21 GLN A 91 -0.746 11.990 -13.471 1.00 14.43 H new ATOM 0 HE22 GLN A 91 -1.816 12.852 -12.360 1.00 14.43 H new ATOM 1469 N GLN A 92 1.419 6.915 -11.585 1.00 54.34 N ATOM 1470 CA GLN A 92 1.423 5.521 -12.011 1.00 75.30 C ATOM 1471 C GLN A 92 0.617 4.655 -11.048 1.00 11.33 C ATOM 1472 O GLN A 92 -0.066 3.720 -11.462 1.00 30.42 O ATOM 1473 CB GLN A 92 2.857 4.999 -12.106 1.00 62.34 C ATOM 1474 CG GLN A 92 3.478 5.173 -13.483 1.00 74.52 C ATOM 1475 CD GLN A 92 4.264 3.955 -13.927 1.00 23.11 C ATOM 1476 OE1 GLN A 92 3.696 2.978 -14.416 1.00 55.52 O ATOM 1477 NE2 GLN A 92 5.580 4.006 -13.758 1.00 44.31 N ATOM 0 H GLN A 92 2.318 7.255 -11.244 1.00 54.34 H new ATOM 0 HA GLN A 92 0.958 5.467 -12.995 1.00 75.30 H new ATOM 0 HB2 GLN A 92 3.473 5.517 -11.371 1.00 62.34 H new ATOM 0 HB3 GLN A 92 2.868 3.941 -11.843 1.00 62.34 H new ATOM 0 HG2 GLN A 92 2.691 5.377 -14.209 1.00 74.52 H new ATOM 0 HG3 GLN A 92 4.136 6.042 -13.473 1.00 74.52 H new ATOM 0 HE21 GLN A 92 6.010 4.836 -13.349 1.00 44.31 H new ATOM 0 HE22 GLN A 92 6.161 3.216 -14.038 1.00 44.31 H new ATOM 1486 N ASN A 93 0.702 4.974 -9.760 1.00 44.53 N ATOM 1487 CA ASN A 93 -0.018 4.225 -8.738 1.00 12.14 C ATOM 1488 C ASN A 93 -1.486 4.639 -8.692 1.00 42.44 C ATOM 1489 O ASN A 93 -2.377 3.798 -8.571 1.00 43.32 O ATOM 1490 CB ASN A 93 0.627 4.442 -7.367 1.00 60.13 C ATOM 1491 CG ASN A 93 1.901 3.638 -7.195 1.00 4.24 C ATOM 1492 OD1 ASN A 93 2.780 3.701 -8.189 1.00 75.24 O flip ATOM 1493 ND2 ASN A 93 2.094 2.969 -6.179 1.00 12.45 N flip ATOM 0 H ASN A 93 1.263 5.746 -9.400 1.00 44.53 H new ATOM 0 HA ASN A 93 0.035 3.167 -8.994 1.00 12.14 H new ATOM 0 HB2 ASN A 93 0.848 5.501 -7.236 1.00 60.13 H new ATOM 0 HB3 ASN A 93 -0.082 4.166 -6.587 1.00 60.13 H new ATOM 0 HD21 ASN A 93 1.391 2.950 -5.440 1.00 12.45 H new ATOM 0 HD22 ASN A 93 2.957 2.434 -6.077 1.00 12.45 H new ATOM 1500 N LYS A 94 -1.731 5.942 -8.791 1.00 65.43 N ATOM 1501 CA LYS A 94 -3.089 6.470 -8.764 1.00 34.52 C ATOM 1502 C LYS A 94 -3.905 5.933 -9.935 1.00 74.34 C ATOM 1503 O LYS A 94 -5.042 5.494 -9.762 1.00 1.30 O ATOM 1504 CB LYS A 94 -3.065 7.999 -8.804 1.00 12.22 C ATOM 1505 CG LYS A 94 -4.429 8.635 -8.594 1.00 64.20 C ATOM 1506 CD LYS A 94 -4.309 10.023 -7.987 1.00 74.30 C ATOM 1507 CE LYS A 94 -4.881 11.086 -8.912 1.00 13.44 C ATOM 1508 NZ LYS A 94 -5.287 12.310 -8.166 1.00 32.44 N ATOM 0 H LYS A 94 -1.005 6.652 -8.891 1.00 65.43 H new ATOM 0 HA LYS A 94 -3.560 6.145 -7.836 1.00 34.52 H new ATOM 0 HB2 LYS A 94 -2.382 8.363 -8.037 1.00 12.22 H new ATOM 0 HB3 LYS A 94 -2.667 8.323 -9.766 1.00 12.22 H new ATOM 0 HG2 LYS A 94 -4.953 8.698 -9.548 1.00 64.20 H new ATOM 0 HG3 LYS A 94 -5.030 8.002 -7.941 1.00 64.20 H new ATOM 0 HD2 LYS A 94 -4.833 10.050 -7.032 1.00 74.30 H new ATOM 0 HD3 LYS A 94 -3.261 10.243 -7.782 1.00 74.30 H new ATOM 0 HE2 LYS A 94 -4.139 11.349 -9.666 1.00 13.44 H new ATOM 0 HE3 LYS A 94 -5.743 10.681 -9.442 1.00 13.44 H new ATOM 0 HZ1 LYS A 94 -5.672 13.011 -8.831 1.00 32.44 H new ATOM 0 HZ2 LYS A 94 -6.014 12.064 -7.464 1.00 32.44 H new ATOM 0 HZ3 LYS A 94 -4.459 12.711 -7.681 1.00 32.44 H new ATOM 1522 N GLU A 95 -3.317 5.969 -11.127 1.00 1.41 N ATOM 1523 CA GLU A 95 -3.991 5.486 -12.326 1.00 64.51 C ATOM 1524 C GLU A 95 -4.110 3.964 -12.307 1.00 13.44 C ATOM 1525 O GLU A 95 -5.136 3.407 -12.696 1.00 74.54 O ATOM 1526 CB GLU A 95 -3.234 5.932 -13.579 1.00 2.53 C ATOM 1527 CG GLU A 95 -3.482 7.384 -13.954 1.00 63.20 C ATOM 1528 CD GLU A 95 -3.901 7.549 -15.402 1.00 64.50 C ATOM 1529 OE1 GLU A 95 -4.926 6.953 -15.794 1.00 30.33 O ATOM 1530 OE2 GLU A 95 -3.204 8.272 -16.143 1.00 43.43 O ATOM 0 H GLU A 95 -2.376 6.328 -11.288 1.00 1.41 H new ATOM 0 HA GLU A 95 -4.994 5.913 -12.344 1.00 64.51 H new ATOM 0 HB2 GLU A 95 -2.166 5.784 -13.420 1.00 2.53 H new ATOM 0 HB3 GLU A 95 -3.524 5.295 -14.415 1.00 2.53 H new ATOM 0 HG2 GLU A 95 -4.256 7.795 -13.306 1.00 63.20 H new ATOM 0 HG3 GLU A 95 -2.576 7.962 -13.774 1.00 63.20 H new ATOM 1537 N TYR A 96 -3.054 3.300 -11.851 1.00 34.30 N ATOM 1538 CA TYR A 96 -3.039 1.843 -11.783 1.00 41.32 C ATOM 1539 C TYR A 96 -4.203 1.325 -10.944 1.00 63.41 C ATOM 1540 O TYR A 96 -4.880 0.369 -11.325 1.00 53.54 O ATOM 1541 CB TYR A 96 -1.714 1.353 -11.196 1.00 51.22 C ATOM 1542 CG TYR A 96 -1.688 -0.133 -10.917 1.00 52.43 C ATOM 1543 CD1 TYR A 96 -2.151 -0.641 -9.710 1.00 11.33 C ATOM 1544 CD2 TYR A 96 -1.200 -1.028 -11.861 1.00 31.23 C ATOM 1545 CE1 TYR A 96 -2.129 -1.997 -9.450 1.00 62.41 C ATOM 1546 CE2 TYR A 96 -1.175 -2.386 -11.610 1.00 74.53 C ATOM 1547 CZ TYR A 96 -1.641 -2.866 -10.404 1.00 25.24 C ATOM 1548 OH TYR A 96 -1.616 -4.218 -10.150 1.00 32.52 O ATOM 0 H TYR A 96 -2.198 3.747 -11.523 1.00 34.30 H new ATOM 0 HA TYR A 96 -3.145 1.456 -12.796 1.00 41.32 H new ATOM 0 HB2 TYR A 96 -0.907 1.599 -11.887 1.00 51.22 H new ATOM 0 HB3 TYR A 96 -1.515 1.892 -10.269 1.00 51.22 H new ATOM 0 HD1 TYR A 96 -2.535 0.036 -8.962 1.00 11.33 H new ATOM 0 HD2 TYR A 96 -0.834 -0.656 -12.807 1.00 31.23 H new ATOM 0 HE1 TYR A 96 -2.492 -2.375 -8.506 1.00 62.41 H new ATOM 0 HE2 TYR A 96 -0.792 -3.069 -12.354 1.00 74.53 H new ATOM 0 HH TYR A 96 -1.244 -4.690 -10.924 1.00 32.52 H new ATOM 1558 N CYS A 97 -4.429 1.961 -9.800 1.00 45.34 N ATOM 1559 CA CYS A 97 -5.510 1.565 -8.906 1.00 12.45 C ATOM 1560 C CYS A 97 -6.869 1.858 -9.533 1.00 13.34 C ATOM 1561 O CYS A 97 -7.829 1.113 -9.335 1.00 10.22 O ATOM 1562 CB CYS A 97 -5.385 2.294 -7.567 1.00 10.03 C ATOM 1563 SG CYS A 97 -6.597 1.776 -6.328 1.00 45.34 S ATOM 0 H CYS A 97 -3.878 2.753 -9.470 1.00 45.34 H new ATOM 0 HA CYS A 97 -5.433 0.491 -8.736 1.00 12.45 H new ATOM 0 HB2 CYS A 97 -4.383 2.132 -7.169 1.00 10.03 H new ATOM 0 HB3 CYS A 97 -5.491 3.365 -7.738 1.00 10.03 H new ATOM 0 HG CYS A 97 -6.528 0.488 -6.165 1.00 45.34 H new ATOM 1569 N SER A 98 -6.944 2.949 -10.288 1.00 42.33 N ATOM 1570 CA SER A 98 -8.187 3.344 -10.940 1.00 50.21 C ATOM 1571 C SER A 98 -8.416 2.531 -12.211 1.00 13.24 C ATOM 1572 O SER A 98 -9.507 2.544 -12.782 1.00 42.12 O ATOM 1573 CB SER A 98 -8.161 4.837 -11.274 1.00 64.01 C ATOM 1574 OG SER A 98 -7.474 5.075 -12.491 1.00 14.21 O ATOM 0 H SER A 98 -6.158 3.575 -10.463 1.00 42.33 H new ATOM 0 HA SER A 98 -9.008 3.148 -10.251 1.00 50.21 H new ATOM 0 HB2 SER A 98 -9.181 5.214 -11.349 1.00 64.01 H new ATOM 0 HB3 SER A 98 -7.677 5.385 -10.466 1.00 64.01 H new ATOM 0 HG SER A 98 -6.674 4.510 -12.531 1.00 14.21 H new ATOM 1580 N LYS A 99 -7.380 1.824 -12.648 1.00 30.22 N ATOM 1581 CA LYS A 99 -7.466 1.003 -13.850 1.00 21.23 C ATOM 1582 C LYS A 99 -8.591 -0.020 -13.731 1.00 12.03 C ATOM 1583 O LYS A 99 -9.097 -0.519 -14.736 1.00 1.35 O ATOM 1584 CB LYS A 99 -6.136 0.287 -14.099 1.00 53.35 C ATOM 1585 CG LYS A 99 -6.139 -0.585 -15.343 1.00 51.41 C ATOM 1586 CD LYS A 99 -5.937 -2.050 -14.997 1.00 60.30 C ATOM 1587 CE LYS A 99 -4.587 -2.286 -14.338 1.00 23.22 C ATOM 1588 NZ LYS A 99 -3.895 -3.478 -14.902 1.00 23.01 N ATOM 0 H LYS A 99 -6.470 1.803 -12.188 1.00 30.22 H new ATOM 0 HA LYS A 99 -7.683 1.659 -14.693 1.00 21.23 H new ATOM 0 HB2 LYS A 99 -5.344 1.030 -14.188 1.00 53.35 H new ATOM 0 HB3 LYS A 99 -5.898 -0.331 -13.233 1.00 53.35 H new ATOM 0 HG2 LYS A 99 -7.084 -0.462 -15.872 1.00 51.41 H new ATOM 0 HG3 LYS A 99 -5.350 -0.258 -16.020 1.00 51.41 H new ATOM 0 HD2 LYS A 99 -6.732 -2.380 -14.328 1.00 60.30 H new ATOM 0 HD3 LYS A 99 -6.011 -2.652 -15.902 1.00 60.30 H new ATOM 0 HE2 LYS A 99 -3.959 -1.405 -14.471 1.00 23.22 H new ATOM 0 HE3 LYS A 99 -4.725 -2.420 -13.265 1.00 23.22 H new ATOM 0 HZ1 LYS A 99 -2.979 -3.605 -14.427 1.00 23.01 H new ATOM 0 HZ2 LYS A 99 -4.482 -4.323 -14.753 1.00 23.01 H new ATOM 0 HZ3 LYS A 99 -3.740 -3.340 -15.921 1.00 23.01 H new ATOM 1602 N GLU A 100 -8.979 -0.326 -12.496 1.00 63.14 N ATOM 1603 CA GLU A 100 -10.045 -1.289 -12.248 1.00 70.10 C ATOM 1604 C GLU A 100 -11.405 -0.703 -12.617 1.00 3.41 C ATOM 1605 O GLU A 100 -12.371 -1.433 -12.829 1.00 34.43 O ATOM 1606 CB GLU A 100 -10.044 -1.717 -10.779 1.00 63.41 C ATOM 1607 CG GLU A 100 -8.866 -2.602 -10.404 1.00 15.20 C ATOM 1608 CD GLU A 100 -8.096 -2.072 -9.210 1.00 71.31 C ATOM 1609 OE1 GLU A 100 -8.644 -2.103 -8.089 1.00 31.04 O ATOM 1610 OE2 GLU A 100 -6.944 -1.627 -9.398 1.00 73.30 O ATOM 0 H GLU A 100 -8.571 0.079 -11.653 1.00 63.14 H new ATOM 0 HA GLU A 100 -9.863 -2.163 -12.874 1.00 70.10 H new ATOM 0 HB2 GLU A 100 -10.034 -0.827 -10.150 1.00 63.41 H new ATOM 0 HB3 GLU A 100 -10.971 -2.249 -10.564 1.00 63.41 H new ATOM 0 HG2 GLU A 100 -9.227 -3.606 -10.182 1.00 15.20 H new ATOM 0 HG3 GLU A 100 -8.193 -2.686 -11.257 1.00 15.20 H new ATOM 1617 N GLY A 101 -11.470 0.623 -12.691 1.00 53.41 N ATOM 1618 CA GLY A 101 -12.715 1.286 -13.033 1.00 40.55 C ATOM 1619 C GLY A 101 -13.621 1.475 -11.833 1.00 20.41 C ATOM 1620 O GLY A 101 -14.691 2.072 -11.942 1.00 71.51 O ATOM 0 H GLY A 101 -10.683 1.249 -12.520 1.00 53.41 H new ATOM 0 HA2 GLY A 101 -12.496 2.258 -13.475 1.00 40.55 H new ATOM 0 HA3 GLY A 101 -13.238 0.702 -13.790 1.00 40.55 H new ATOM 1624 N ASN A 102 -13.192 0.962 -10.684 1.00 12.31 N ATOM 1625 CA ASN A 102 -13.974 1.075 -9.458 1.00 1.12 C ATOM 1626 C ASN A 102 -13.116 1.604 -8.312 1.00 60.24 C ATOM 1627 O ASN A 102 -12.077 1.030 -7.984 1.00 63.32 O ATOM 1628 CB ASN A 102 -14.568 -0.283 -9.080 1.00 63.52 C ATOM 1629 CG ASN A 102 -16.078 -0.313 -9.217 1.00 42.40 C ATOM 1630 OD1 ASN A 102 -16.610 -0.409 -10.323 1.00 12.21 O ATOM 1631 ND2 ASN A 102 -16.776 -0.229 -8.090 1.00 65.13 N ATOM 0 H ASN A 102 -12.308 0.465 -10.576 1.00 12.31 H new ATOM 0 HA ASN A 102 -14.785 1.781 -9.638 1.00 1.12 H new ATOM 0 HB2 ASN A 102 -14.133 -1.056 -9.714 1.00 63.52 H new ATOM 0 HB3 ASN A 102 -14.294 -0.523 -8.052 1.00 63.52 H new ATOM 0 HD21 ASN A 102 -17.795 -0.243 -8.119 1.00 65.13 H new ATOM 0 HD22 ASN A 102 -16.292 -0.151 -7.195 1.00 65.13 H new ATOM 1638 N LEU A 103 -13.558 2.701 -7.707 1.00 62.41 N ATOM 1639 CA LEU A 103 -12.831 3.307 -6.597 1.00 54.41 C ATOM 1640 C LEU A 103 -13.504 2.987 -5.266 1.00 62.31 C ATOM 1641 O LEU A 103 -14.721 3.112 -5.127 1.00 52.21 O ATOM 1642 CB LEU A 103 -12.745 4.823 -6.786 1.00 32.12 C ATOM 1643 CG LEU A 103 -11.337 5.405 -6.910 1.00 63.25 C ATOM 1644 CD1 LEU A 103 -10.610 5.335 -5.576 1.00 54.21 C ATOM 1645 CD2 LEU A 103 -10.550 4.671 -7.987 1.00 1.21 C ATOM 0 H LEU A 103 -14.416 3.189 -7.966 1.00 62.41 H new ATOM 0 HA LEU A 103 -11.824 2.890 -6.583 1.00 54.41 H new ATOM 0 HB2 LEU A 103 -13.307 5.090 -7.681 1.00 32.12 H new ATOM 0 HB3 LEU A 103 -13.242 5.303 -5.943 1.00 32.12 H new ATOM 0 HG LEU A 103 -11.422 6.453 -7.199 1.00 63.25 H new ATOM 0 HD11 LEU A 103 -9.610 5.754 -5.684 1.00 54.21 H new ATOM 0 HD12 LEU A 103 -11.163 5.905 -4.830 1.00 54.21 H new ATOM 0 HD13 LEU A 103 -10.535 4.296 -5.256 1.00 54.21 H new ATOM 0 HD21 LEU A 103 -9.550 5.098 -8.062 1.00 1.21 H new ATOM 0 HD22 LEU A 103 -10.475 3.615 -7.727 1.00 1.21 H new ATOM 0 HD23 LEU A 103 -11.061 4.773 -8.944 1.00 1.21 H new ATOM 1657 N LEU A 104 -12.704 2.574 -4.289 1.00 45.23 N ATOM 1658 CA LEU A 104 -13.221 2.238 -2.967 1.00 64.53 C ATOM 1659 C LEU A 104 -12.920 3.348 -1.966 1.00 54.41 C ATOM 1660 O LEU A 104 -13.749 3.671 -1.116 1.00 12.43 O ATOM 1661 CB LEU A 104 -12.614 0.920 -2.481 1.00 74.23 C ATOM 1662 CG LEU A 104 -13.510 0.057 -1.591 1.00 43.12 C ATOM 1663 CD1 LEU A 104 -13.982 0.849 -0.382 1.00 22.13 C ATOM 1664 CD2 LEU A 104 -14.698 -0.471 -2.382 1.00 23.21 C ATOM 0 H LEU A 104 -11.695 2.464 -4.387 1.00 45.23 H new ATOM 0 HA LEU A 104 -14.303 2.127 -3.044 1.00 64.53 H new ATOM 0 HB2 LEU A 104 -12.327 0.332 -3.353 1.00 74.23 H new ATOM 0 HB3 LEU A 104 -11.699 1.145 -1.933 1.00 74.23 H new ATOM 0 HG LEU A 104 -12.927 -0.794 -1.238 1.00 43.12 H new ATOM 0 HD11 LEU A 104 -14.618 0.219 0.240 1.00 22.13 H new ATOM 0 HD12 LEU A 104 -13.119 1.177 0.197 1.00 22.13 H new ATOM 0 HD13 LEU A 104 -14.548 1.719 -0.715 1.00 22.13 H new ATOM 0 HD21 LEU A 104 -15.324 -1.083 -1.733 1.00 23.21 H new ATOM 0 HD22 LEU A 104 -15.281 0.366 -2.765 1.00 23.21 H new ATOM 0 HD23 LEU A 104 -14.340 -1.075 -3.216 1.00 23.21 H new ATOM 1676 N MET A 105 -11.731 3.931 -2.075 1.00 63.51 N ATOM 1677 CA MET A 105 -11.323 5.008 -1.181 1.00 41.10 C ATOM 1678 C MET A 105 -10.401 5.990 -1.898 1.00 34.11 C ATOM 1679 O MET A 105 -9.498 5.586 -2.629 1.00 30.51 O ATOM 1680 CB MET A 105 -10.619 4.438 0.052 1.00 34.21 C ATOM 1681 CG MET A 105 -9.737 5.446 0.769 1.00 44.51 C ATOM 1682 SD MET A 105 -9.763 5.243 2.560 1.00 12.53 S ATOM 1683 CE MET A 105 -8.296 4.247 2.810 1.00 70.11 C ATOM 0 H MET A 105 -11.033 3.676 -2.774 1.00 63.51 H new ATOM 0 HA MET A 105 -12.219 5.542 -0.864 1.00 41.10 H new ATOM 0 HB2 MET A 105 -11.370 4.064 0.748 1.00 34.21 H new ATOM 0 HB3 MET A 105 -10.011 3.585 -0.249 1.00 34.21 H new ATOM 0 HG2 MET A 105 -8.712 5.346 0.411 1.00 44.51 H new ATOM 0 HG3 MET A 105 -10.065 6.454 0.517 1.00 44.51 H new ATOM 0 HE1 MET A 105 -7.993 4.301 3.856 1.00 70.11 H new ATOM 0 HE2 MET A 105 -8.511 3.211 2.548 1.00 70.11 H new ATOM 0 HE3 MET A 105 -7.490 4.622 2.179 1.00 70.11 H new ATOM 1693 N GLU A 106 -10.637 7.280 -1.683 1.00 50.53 N ATOM 1694 CA GLU A 106 -9.828 8.319 -2.311 1.00 21.32 C ATOM 1695 C GLU A 106 -9.428 9.385 -1.295 1.00 24.20 C ATOM 1696 O GLU A 106 -10.247 10.209 -0.889 1.00 14.41 O ATOM 1697 CB GLU A 106 -10.594 8.963 -3.468 1.00 45.31 C ATOM 1698 CG GLU A 106 -9.736 9.224 -4.695 1.00 60.41 C ATOM 1699 CD GLU A 106 -10.535 9.781 -5.858 1.00 24.44 C ATOM 1700 OE1 GLU A 106 -11.492 10.543 -5.608 1.00 4.23 O ATOM 1701 OE2 GLU A 106 -10.203 9.454 -7.016 1.00 53.13 O ATOM 0 H GLU A 106 -11.381 7.631 -1.080 1.00 50.53 H new ATOM 0 HA GLU A 106 -8.922 7.854 -2.699 1.00 21.32 H new ATOM 0 HB2 GLU A 106 -11.425 8.316 -3.747 1.00 45.31 H new ATOM 0 HB3 GLU A 106 -11.024 9.905 -3.128 1.00 45.31 H new ATOM 0 HG2 GLU A 106 -8.942 9.924 -4.436 1.00 60.41 H new ATOM 0 HG3 GLU A 106 -9.255 8.295 -5.001 1.00 60.41 H new ATOM 1708 N CYS A 107 -8.163 9.361 -0.889 1.00 11.12 N ATOM 1709 CA CYS A 107 -7.653 10.324 0.081 1.00 53.33 C ATOM 1710 C CYS A 107 -6.155 10.539 -0.103 1.00 45.31 C ATOM 1711 O CYS A 107 -5.526 9.907 -0.951 1.00 4.24 O ATOM 1712 CB CYS A 107 -7.941 9.847 1.505 1.00 74.12 C ATOM 1713 SG CYS A 107 -9.567 10.331 2.131 1.00 72.12 S ATOM 0 H CYS A 107 -7.472 8.686 -1.216 1.00 11.12 H new ATOM 0 HA CYS A 107 -8.161 11.274 -0.085 1.00 53.33 H new ATOM 0 HB2 CYS A 107 -7.860 8.760 1.536 1.00 74.12 H new ATOM 0 HB3 CYS A 107 -7.174 10.243 2.171 1.00 74.12 H new ATOM 0 HG CYS A 107 -10.391 10.471 1.135 1.00 72.12 H new ATOM 1719 N GLY A 108 -5.588 11.438 0.697 1.00 52.13 N ATOM 1720 CA GLY A 108 -4.168 11.722 0.605 1.00 11.30 C ATOM 1721 C GLY A 108 -3.861 12.834 -0.379 1.00 35.21 C ATOM 1722 O GLY A 108 -4.767 13.391 -0.999 1.00 32.54 O ATOM 0 H GLY A 108 -6.087 11.974 1.407 1.00 52.13 H new ATOM 0 HA2 GLY A 108 -3.791 11.998 1.590 1.00 11.30 H new ATOM 0 HA3 GLY A 108 -3.639 10.818 0.304 1.00 11.30 H new