USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 995 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 68 ASN : amide:sc= -2.57! C(o=-2.4!,f=-2.6!) USER MOD Set 1.2: A 81 ASN : amide:sc= 0.146 K(o=-2.4,f=-8!) USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0.00168 USER MOD Set 2.2: A 27 ASN : amide:sc=0.000299 X(o=0.002,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.325 USER MOD Single : A 16 GLN : amide:sc= -0.094 X(o=-0.094,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 131:sc= -3.52! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -8.31! C(o=-9.1!,f=-8.3!) USER MOD Single : A 31 THR OG1 : rot -67:sc= 1.21 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.131 K(o=-0.13,f=-1) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 130:sc= -2.77! USER MOD Single : A 52 GLN : amide:sc= -1.12 K(o=-1.1,f=-7.2!) USER MOD Single : A 55 ASN : amide:sc= -2.12 K(o=-2.1,f=-14!) USER MOD Single : A 56 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.64) USER MOD Single : A 60 HIS : no HD1:sc= -0.434 X(o=-0.43,f=-0.051) USER MOD Single : A 61 SER OG : rot 81:sc= 0.18 USER MOD Single : A 63 ASN : amide:sc= -1.31 K(o=-1.3,f=-12!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.0004) USER MOD Single : A 78 CYS SG : rot 180:sc= -1.11 USER MOD Single : A 80 LYS NZ :NH3+ -124:sc= 0.0209 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 87 THR OG1 : rot 67:sc= 0.749 USER MOD Single : A 89 CYS SG : rot 122:sc= 0.468 USER MOD Single : A 90 CYS SG : rot -65:sc= -2.73! USER MOD Single : A 92 THR OG1 : rot -80:sc= 0 USER MOD Single : A 95 MET CE :methyl 172:sc= 0 (180deg=-0.0662) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 65:sc= 0.213 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -58:sc= 1.27 USER MOD Single : A 125 THR OG1 : rot -77:sc= 0.474 USER MOD Single : A 131 THR OG1 : rot -75:sc= 0.193 USER MOD ----------------------------------------------------------------- ATOM 98 N PRO A 10 12.065 1.401 7.256 1.00 0.00 N ATOM 99 CA PRO A 10 11.525 0.424 6.306 1.00 0.00 C ATOM 100 C PRO A 10 10.600 1.065 5.278 1.00 0.00 C ATOM 101 O PRO A 10 10.308 0.474 4.238 1.00 0.00 O ATOM 102 CB PRO A 10 10.743 -0.544 7.199 1.00 0.00 C ATOM 103 CG PRO A 10 10.378 0.259 8.399 1.00 0.00 C ATOM 104 CD PRO A 10 11.508 1.229 8.609 1.00 0.00 C ATOM 0 HA PRO A 10 12.311 -0.054 5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.856 -0.922 6.691 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.348 -1.409 7.470 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.436 0.785 8.244 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.246 -0.381 9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.155 2.174 9.022 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.251 0.836 9.303 1.00 0.00 H new ATOM 112 N TRP A 11 10.142 2.276 5.574 1.00 0.00 N ATOM 113 CA TRP A 11 9.250 2.997 4.674 1.00 0.00 C ATOM 114 C TRP A 11 10.038 3.697 3.572 1.00 0.00 C ATOM 115 O TRP A 11 9.590 3.772 2.427 1.00 0.00 O ATOM 116 CB TRP A 11 8.422 4.020 5.454 1.00 0.00 C ATOM 117 CG TRP A 11 9.115 5.339 5.624 1.00 0.00 C ATOM 118 CD1 TRP A 11 9.740 5.797 6.749 1.00 0.00 C ATOM 119 CD2 TRP A 11 9.250 6.369 4.639 1.00 0.00 C ATOM 120 NE1 TRP A 11 10.255 7.050 6.522 1.00 0.00 N ATOM 121 CE2 TRP A 11 9.969 7.423 5.236 1.00 0.00 C ATOM 122 CE3 TRP A 11 8.835 6.503 3.312 1.00 0.00 C ATOM 123 CZ2 TRP A 11 10.280 8.594 4.549 1.00 0.00 C ATOM 124 CZ3 TRP A 11 9.144 7.665 2.631 1.00 0.00 C ATOM 125 CH2 TRP A 11 9.862 8.698 3.250 1.00 0.00 C ATOM 0 H TRP A 11 10.374 2.779 6.430 1.00 0.00 H new ATOM 0 HA TRP A 11 8.579 2.273 4.212 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.475 4.179 4.939 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.186 3.612 6.437 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.818 5.254 7.679 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.768 7.612 7.202 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.282 5.712 2.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.831 9.392 5.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.827 7.779 1.605 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.090 9.593 2.691 1.00 0.00 H new ATOM 136 N LYS A 12 11.213 4.207 3.923 1.00 0.00 N ATOM 137 CA LYS A 12 12.065 4.899 2.963 1.00 0.00 C ATOM 138 C LYS A 12 12.296 4.042 1.723 1.00 0.00 C ATOM 139 O LYS A 12 12.132 4.508 0.596 1.00 0.00 O ATOM 140 CB LYS A 12 13.407 5.257 3.607 1.00 0.00 C ATOM 141 CG LYS A 12 13.270 5.981 4.935 1.00 0.00 C ATOM 142 CD LYS A 12 14.389 6.989 5.139 1.00 0.00 C ATOM 143 CE LYS A 12 13.917 8.189 5.945 1.00 0.00 C ATOM 144 NZ LYS A 12 14.007 7.943 7.410 1.00 0.00 N ATOM 0 H LYS A 12 11.598 4.154 4.866 1.00 0.00 H new ATOM 0 HA LYS A 12 11.558 5.815 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.983 4.344 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.976 5.882 2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.308 6.491 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.280 5.256 5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.223 6.510 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.760 7.323 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.519 9.060 5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.886 8.423 5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.676 8.784 7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.413 7.127 7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.995 7.745 7.669 1.00 0.00 H new ATOM 158 N GLN A 13 12.677 2.787 1.940 1.00 0.00 N ATOM 159 CA GLN A 13 12.930 1.865 0.839 1.00 0.00 C ATOM 160 C GLN A 13 11.631 1.493 0.131 1.00 0.00 C ATOM 161 O GLN A 13 11.572 1.454 -1.098 1.00 0.00 O ATOM 162 CB GLN A 13 13.625 0.603 1.353 1.00 0.00 C ATOM 163 CG GLN A 13 12.831 -0.140 2.415 1.00 0.00 C ATOM 164 CD GLN A 13 13.686 -1.097 3.221 1.00 0.00 C ATOM 165 OE1 GLN A 13 14.423 -0.686 4.117 1.00 0.00 O ATOM 166 NE2 GLN A 13 13.593 -2.384 2.905 1.00 0.00 N ATOM 0 H GLN A 13 12.817 2.386 2.867 1.00 0.00 H new ATOM 0 HA GLN A 13 13.582 2.364 0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.809 -0.068 0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.598 0.875 1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.368 0.582 3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.023 -0.695 1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.969 -2.681 2.155 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.146 -3.075 3.413 1.00 0.00 H new ATOM 175 N CYS A 14 10.594 1.220 0.915 1.00 0.00 N ATOM 176 CA CYS A 14 9.296 0.849 0.363 1.00 0.00 C ATOM 177 C CYS A 14 8.884 1.808 -0.750 1.00 0.00 C ATOM 178 O CYS A 14 8.331 1.393 -1.767 1.00 0.00 O ATOM 179 CB CYS A 14 8.234 0.841 1.464 1.00 0.00 C ATOM 180 SG CYS A 14 6.595 0.322 0.904 1.00 0.00 S ATOM 0 H CYS A 14 10.627 1.249 1.934 1.00 0.00 H new ATOM 0 HA CYS A 14 9.381 -0.153 -0.058 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.560 0.176 2.264 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.161 1.841 1.891 1.00 0.00 H new ATOM 0 HG CYS A 14 5.767 0.346 1.906 1.00 0.00 H new ATOM 186 N ALA A 15 9.157 3.093 -0.547 1.00 0.00 N ATOM 187 CA ALA A 15 8.815 4.111 -1.533 1.00 0.00 C ATOM 188 C ALA A 15 9.259 3.692 -2.930 1.00 0.00 C ATOM 189 O ALA A 15 8.502 3.811 -3.893 1.00 0.00 O ATOM 190 CB ALA A 15 9.443 5.444 -1.155 1.00 0.00 C ATOM 0 H ALA A 15 9.614 3.453 0.291 1.00 0.00 H new ATOM 0 HA ALA A 15 7.731 4.223 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.179 6.195 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.073 5.756 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.527 5.337 -1.115 1.00 0.00 H new ATOM 196 N GLN A 16 10.491 3.204 -3.033 1.00 0.00 N ATOM 197 CA GLN A 16 11.036 2.769 -4.314 1.00 0.00 C ATOM 198 C GLN A 16 10.132 1.727 -4.965 1.00 0.00 C ATOM 199 O GLN A 16 9.556 1.967 -6.026 1.00 0.00 O ATOM 200 CB GLN A 16 12.442 2.197 -4.127 1.00 0.00 C ATOM 201 CG GLN A 16 13.440 3.202 -3.576 1.00 0.00 C ATOM 202 CD GLN A 16 13.843 4.245 -4.600 1.00 0.00 C ATOM 203 OE1 GLN A 16 14.835 4.083 -5.311 1.00 0.00 O ATOM 204 NE2 GLN A 16 13.073 5.324 -4.681 1.00 0.00 N ATOM 0 H GLN A 16 11.131 3.100 -2.245 1.00 0.00 H new ATOM 0 HA GLN A 16 11.090 3.637 -4.971 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.391 1.342 -3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.805 1.826 -5.086 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.008 3.699 -2.708 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.329 2.674 -3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.260 5.417 -4.072 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.295 6.059 -5.352 1.00 0.00 H new ATOM 213 N TRP A 17 10.013 0.571 -4.322 1.00 0.00 N ATOM 214 CA TRP A 17 9.179 -0.508 -4.838 1.00 0.00 C ATOM 215 C TRP A 17 7.890 0.040 -5.441 1.00 0.00 C ATOM 216 O TRP A 17 7.468 -0.382 -6.518 1.00 0.00 O ATOM 217 CB TRP A 17 8.852 -1.505 -3.726 1.00 0.00 C ATOM 218 CG TRP A 17 8.105 -2.711 -4.209 1.00 0.00 C ATOM 219 CD1 TRP A 17 8.586 -3.705 -5.013 1.00 0.00 C ATOM 220 CD2 TRP A 17 6.744 -3.049 -3.921 1.00 0.00 C ATOM 221 NE1 TRP A 17 7.606 -4.640 -5.242 1.00 0.00 N ATOM 222 CE2 TRP A 17 6.466 -4.261 -4.582 1.00 0.00 C ATOM 223 CE3 TRP A 17 5.733 -2.447 -3.167 1.00 0.00 C ATOM 224 CZ2 TRP A 17 5.221 -4.879 -4.512 1.00 0.00 C ATOM 225 CZ3 TRP A 17 4.497 -3.061 -3.099 1.00 0.00 C ATOM 226 CH2 TRP A 17 4.250 -4.267 -3.767 1.00 0.00 C ATOM 0 H TRP A 17 10.483 0.357 -3.443 1.00 0.00 H new ATOM 0 HA TRP A 17 9.736 -1.020 -5.623 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.779 -1.827 -3.252 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.261 -1.003 -2.960 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.589 -3.749 -5.410 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.710 -5.480 -5.811 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.915 -1.518 -2.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.028 -5.808 -5.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.708 -2.603 -2.521 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.274 -4.723 -3.693 1.00 0.00 H new ATOM 237 N LEU A 18 7.269 0.983 -4.741 1.00 0.00 N ATOM 238 CA LEU A 18 6.028 1.590 -5.208 1.00 0.00 C ATOM 239 C LEU A 18 6.219 2.238 -6.576 1.00 0.00 C ATOM 240 O LEU A 18 5.430 2.016 -7.494 1.00 0.00 O ATOM 241 CB LEU A 18 5.536 2.632 -4.202 1.00 0.00 C ATOM 242 CG LEU A 18 4.989 2.086 -2.883 1.00 0.00 C ATOM 243 CD1 LEU A 18 5.037 3.154 -1.801 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.567 1.574 -3.067 1.00 0.00 C ATOM 0 H LEU A 18 7.605 1.344 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 18 5.280 0.802 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.360 3.309 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.756 3.227 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 18 5.617 1.252 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.644 2.746 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.068 3.473 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.434 4.009 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.193 1.189 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.928 2.389 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.561 0.776 -3.810 1.00 0.00 H new ATOM 256 N ILE A 19 7.272 3.038 -6.704 1.00 0.00 N ATOM 257 CA ILE A 19 7.569 3.715 -7.960 1.00 0.00 C ATOM 258 C ILE A 19 7.728 2.714 -9.100 1.00 0.00 C ATOM 259 O ILE A 19 7.212 2.921 -10.198 1.00 0.00 O ATOM 260 CB ILE A 19 8.850 4.562 -7.854 1.00 0.00 C ATOM 261 CG1 ILE A 19 8.727 5.572 -6.711 1.00 0.00 C ATOM 262 CG2 ILE A 19 9.124 5.275 -9.170 1.00 0.00 C ATOM 263 CD1 ILE A 19 9.986 6.376 -6.476 1.00 0.00 C ATOM 0 H ILE A 19 7.934 3.233 -5.953 1.00 0.00 H new ATOM 0 HA ILE A 19 6.725 4.372 -8.171 1.00 0.00 H new ATOM 0 HB ILE A 19 9.689 3.900 -7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.905 6.254 -6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.468 5.041 -5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.033 5.870 -9.079 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.250 4.538 -9.964 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.285 5.928 -9.411 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.825 7.071 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.807 5.703 -6.228 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.235 6.935 -7.378 1.00 0.00 H new ATOM 275 N HIS A 20 8.444 1.627 -8.830 1.00 0.00 N ATOM 276 CA HIS A 20 8.669 0.592 -9.832 1.00 0.00 C ATOM 277 C HIS A 20 7.387 -0.190 -10.103 1.00 0.00 C ATOM 278 O HIS A 20 7.163 -0.666 -11.217 1.00 0.00 O ATOM 279 CB HIS A 20 9.773 -0.361 -9.373 1.00 0.00 C ATOM 280 CG HIS A 20 11.155 0.157 -9.629 1.00 0.00 C ATOM 281 ND1 HIS A 20 11.953 -0.302 -10.656 1.00 0.00 N ATOM 282 CD2 HIS A 20 11.881 1.101 -8.985 1.00 0.00 C ATOM 283 CE1 HIS A 20 13.109 0.336 -10.632 1.00 0.00 C ATOM 284 NE2 HIS A 20 13.091 1.193 -9.627 1.00 0.00 N ATOM 0 H HIS A 20 8.878 1.440 -7.926 1.00 0.00 H new ATOM 0 HA HIS A 20 8.980 1.078 -10.757 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.657 -0.552 -8.306 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.652 -1.317 -9.883 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.567 1.675 -8.126 1.00 0.00 H new ATOM 0 HE1 HIS A 20 13.929 0.183 -11.317 1.00 0.00 H new ATOM 0 HE2 HIS A 20 13.852 1.821 -9.370 1.00 0.00 H new ATOM 293 N CYS A 21 6.551 -0.319 -9.079 1.00 0.00 N ATOM 294 CA CYS A 21 5.292 -1.044 -9.207 1.00 0.00 C ATOM 295 C CYS A 21 4.311 -0.280 -10.090 1.00 0.00 C ATOM 296 O CYS A 21 3.200 -0.743 -10.348 1.00 0.00 O ATOM 297 CB CYS A 21 4.675 -1.283 -7.828 1.00 0.00 C ATOM 298 SG CYS A 21 5.488 -2.585 -6.871 1.00 0.00 S ATOM 0 H CYS A 21 6.722 0.069 -8.151 1.00 0.00 H new ATOM 0 HA CYS A 21 5.501 -2.006 -9.676 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.710 -0.353 -7.260 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.623 -1.541 -7.952 1.00 0.00 H new ATOM 0 HG CYS A 21 5.734 -2.152 -5.670 1.00 0.00 H new ATOM 304 N LYS A 22 4.729 0.894 -10.550 1.00 0.00 N ATOM 305 CA LYS A 22 3.888 1.724 -11.405 1.00 0.00 C ATOM 306 C LYS A 22 2.701 2.281 -10.625 1.00 0.00 C ATOM 307 O LYS A 22 1.557 2.193 -11.070 1.00 0.00 O ATOM 308 CB LYS A 22 3.390 0.916 -12.605 1.00 0.00 C ATOM 309 CG LYS A 22 4.491 0.164 -13.332 1.00 0.00 C ATOM 310 CD LYS A 22 5.408 1.111 -14.087 1.00 0.00 C ATOM 311 CE LYS A 22 6.060 0.425 -15.277 1.00 0.00 C ATOM 312 NZ LYS A 22 7.035 1.316 -15.966 1.00 0.00 N ATOM 0 H LYS A 22 5.645 1.293 -10.345 1.00 0.00 H new ATOM 0 HA LYS A 22 4.490 2.560 -11.762 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.638 0.204 -12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.897 1.589 -13.306 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.074 -0.413 -12.614 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.048 -0.548 -14.029 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.838 1.974 -14.431 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.179 1.486 -13.414 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.568 -0.479 -14.941 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.290 0.114 -15.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.457 0.811 -16.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.545 2.167 -16.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.784 1.593 -15.299 1.00 0.00 H new ATOM 326 N VAL A 23 2.982 2.856 -9.460 1.00 0.00 N ATOM 327 CA VAL A 23 1.938 3.430 -8.619 1.00 0.00 C ATOM 328 C VAL A 23 2.264 4.871 -8.244 1.00 0.00 C ATOM 329 O VAL A 23 1.367 5.689 -8.036 1.00 0.00 O ATOM 330 CB VAL A 23 1.739 2.608 -7.332 1.00 0.00 C ATOM 331 CG1 VAL A 23 1.319 1.185 -7.666 1.00 0.00 C ATOM 332 CG2 VAL A 23 3.009 2.616 -6.494 1.00 0.00 C ATOM 0 H VAL A 23 3.924 2.937 -9.077 1.00 0.00 H new ATOM 0 HA VAL A 23 1.016 3.409 -9.200 1.00 0.00 H new ATOM 0 HB VAL A 23 0.942 3.068 -6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.183 0.620 -6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.381 1.203 -8.222 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.091 0.711 -8.272 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.851 2.031 -5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.827 2.182 -7.069 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.260 3.642 -6.224 1.00 0.00 H new ATOM 342 N LEU A 24 3.554 5.177 -8.160 1.00 0.00 N ATOM 343 CA LEU A 24 4.001 6.521 -7.810 1.00 0.00 C ATOM 344 C LEU A 24 5.067 7.011 -8.785 1.00 0.00 C ATOM 345 O LEU A 24 5.827 6.229 -9.356 1.00 0.00 O ATOM 346 CB LEU A 24 4.550 6.542 -6.383 1.00 0.00 C ATOM 347 CG LEU A 24 3.524 6.347 -5.266 1.00 0.00 C ATOM 348 CD1 LEU A 24 4.221 6.096 -3.938 1.00 0.00 C ATOM 349 CD2 LEU A 24 2.606 7.558 -5.168 1.00 0.00 C ATOM 0 H LEU A 24 4.309 4.513 -8.329 1.00 0.00 H new ATOM 0 HA LEU A 24 3.143 7.190 -7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.306 5.762 -6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.055 7.495 -6.223 1.00 0.00 H new ATOM 0 HG LEU A 24 2.917 5.474 -5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.475 5.960 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.836 5.199 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.853 6.949 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.882 7.402 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.199 8.447 -4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.079 7.693 -6.113 1.00 0.00 H new ATOM 361 N PRO A 25 5.128 8.337 -8.978 1.00 0.00 N ATOM 362 CA PRO A 25 6.099 8.962 -9.880 1.00 0.00 C ATOM 363 C PRO A 25 7.525 8.876 -9.347 1.00 0.00 C ATOM 364 O PRO A 25 7.750 8.911 -8.137 1.00 0.00 O ATOM 365 CB PRO A 25 5.639 10.420 -9.942 1.00 0.00 C ATOM 366 CG PRO A 25 4.906 10.641 -8.664 1.00 0.00 C ATOM 367 CD PRO A 25 4.253 9.328 -8.329 1.00 0.00 C ATOM 0 HA PRO A 25 6.129 8.468 -10.851 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.487 11.099 -10.035 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.995 10.595 -10.803 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.587 10.951 -7.872 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.162 11.430 -8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.197 9.170 -7.252 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.234 9.277 -8.712 1.00 0.00 H new ATOM 375 N THR A 26 8.487 8.763 -10.258 1.00 0.00 N ATOM 376 CA THR A 26 9.892 8.671 -9.879 1.00 0.00 C ATOM 377 C THR A 26 10.331 9.901 -9.094 1.00 0.00 C ATOM 378 O THR A 26 11.272 9.841 -8.303 1.00 0.00 O ATOM 379 CB THR A 26 10.798 8.514 -11.115 1.00 0.00 C ATOM 380 OG1 THR A 26 10.728 9.691 -11.926 1.00 0.00 O ATOM 381 CG2 THR A 26 10.388 7.301 -11.936 1.00 0.00 C ATOM 0 H THR A 26 8.319 8.733 -11.264 1.00 0.00 H new ATOM 0 HA THR A 26 9.993 7.787 -9.250 1.00 0.00 H new ATOM 0 HB THR A 26 11.822 8.371 -10.771 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.308 9.584 -12.709 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.042 7.211 -12.803 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.471 6.403 -11.324 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.357 7.419 -12.270 1.00 0.00 H new ATOM 389 N ASN A 27 9.643 11.016 -9.316 1.00 0.00 N ATOM 390 CA ASN A 27 9.963 12.262 -8.629 1.00 0.00 C ATOM 391 C ASN A 27 8.870 12.627 -7.628 1.00 0.00 C ATOM 392 O ASN A 27 8.686 13.797 -7.294 1.00 0.00 O ATOM 393 CB ASN A 27 10.142 13.396 -9.640 1.00 0.00 C ATOM 394 CG ASN A 27 11.516 13.384 -10.283 1.00 0.00 C ATOM 395 OD1 ASN A 27 12.433 14.067 -9.826 1.00 0.00 O ATOM 396 ND2 ASN A 27 11.663 12.607 -11.350 1.00 0.00 N ATOM 0 H ASN A 27 8.860 11.082 -9.966 1.00 0.00 H new ATOM 0 HA ASN A 27 10.897 12.118 -8.086 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.380 13.312 -10.415 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.985 14.352 -9.141 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.564 12.559 -11.826 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.875 12.058 -11.694 1.00 0.00 H new ATOM 403 N HIS A 28 8.149 11.616 -7.153 1.00 0.00 N ATOM 404 CA HIS A 28 7.076 11.830 -6.189 1.00 0.00 C ATOM 405 C HIS A 28 7.571 12.640 -4.994 1.00 0.00 C ATOM 406 O HIS A 28 8.736 13.034 -4.940 1.00 0.00 O ATOM 407 CB HIS A 28 6.514 10.490 -5.714 1.00 0.00 C ATOM 408 CG HIS A 28 5.104 10.574 -5.216 1.00 0.00 C ATOM 409 ND1 HIS A 28 4.022 11.208 -5.726 1.00 0.00 N flip ATOM 410 CD2 HIS A 28 4.676 9.959 -4.059 1.00 0.00 C flip ATOM 411 CE1 HIS A 28 2.970 10.965 -4.876 1.00 0.00 C flip ATOM 412 NE2 HIS A 28 3.391 10.209 -3.879 1.00 0.00 N flip ATOM 0 H HIS A 28 8.288 10.641 -7.420 1.00 0.00 H new ATOM 0 HA HIS A 28 6.284 12.393 -6.684 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.558 9.775 -6.536 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.149 10.101 -4.918 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.294 9.365 -3.402 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.962 11.333 -5.003 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.821 9.875 -3.102 1.00 0.00 H new ATOM 421 N ARG A 29 6.679 12.884 -4.040 1.00 0.00 N ATOM 422 CA ARG A 29 7.025 13.648 -2.848 1.00 0.00 C ATOM 423 C ARG A 29 7.670 12.751 -1.795 1.00 0.00 C ATOM 424 O ARG A 29 8.629 13.145 -1.131 1.00 0.00 O ATOM 425 CB ARG A 29 5.780 14.320 -2.267 1.00 0.00 C ATOM 426 CG ARG A 29 4.699 13.338 -1.846 1.00 0.00 C ATOM 427 CD ARG A 29 3.332 14.002 -1.795 1.00 0.00 C ATOM 428 NE ARG A 29 3.245 14.996 -0.728 1.00 0.00 N ATOM 429 CZ ARG A 29 2.153 15.708 -0.474 1.00 0.00 C ATOM 430 NH1 ARG A 29 1.061 15.537 -1.206 1.00 0.00 N ATOM 431 NH2 ARG A 29 2.152 16.593 0.514 1.00 0.00 N ATOM 0 H ARG A 29 5.711 12.564 -4.069 1.00 0.00 H new ATOM 0 HA ARG A 29 7.743 14.416 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.070 14.920 -1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.368 15.005 -3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.673 12.502 -2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.941 12.926 -0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.125 14.479 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.565 13.242 -1.646 1.00 0.00 H new ATOM 0 HE ARG A 29 4.068 15.152 -0.146 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.058 14.857 -1.966 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.224 16.085 -1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.990 16.727 1.079 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.313 17.139 0.708 1.00 0.00 H new ATOM 445 N VAL A 30 7.137 11.542 -1.648 1.00 0.00 N ATOM 446 CA VAL A 30 7.660 10.589 -0.677 1.00 0.00 C ATOM 447 C VAL A 30 9.151 10.352 -0.888 1.00 0.00 C ATOM 448 O VAL A 30 9.874 10.000 0.045 1.00 0.00 O ATOM 449 CB VAL A 30 6.921 9.240 -0.760 1.00 0.00 C ATOM 450 CG1 VAL A 30 5.420 9.444 -0.615 1.00 0.00 C ATOM 451 CG2 VAL A 30 7.247 8.534 -2.067 1.00 0.00 C ATOM 0 H VAL A 30 6.343 11.200 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 30 7.500 11.023 0.310 1.00 0.00 H new ATOM 0 HB VAL A 30 7.259 8.609 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.914 8.480 -0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.207 9.905 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.062 10.093 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.717 7.583 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.938 9.159 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.320 8.354 -2.125 1.00 0.00 H new ATOM 461 N THR A 31 9.608 10.548 -2.121 1.00 0.00 N ATOM 462 CA THR A 31 11.013 10.356 -2.456 1.00 0.00 C ATOM 463 C THR A 31 11.887 11.412 -1.788 1.00 0.00 C ATOM 464 O THR A 31 13.046 11.156 -1.463 1.00 0.00 O ATOM 465 CB THR A 31 11.240 10.406 -3.978 1.00 0.00 C ATOM 466 OG1 THR A 31 10.972 11.724 -4.471 1.00 0.00 O ATOM 467 CG2 THR A 31 10.348 9.402 -4.692 1.00 0.00 C ATOM 0 H THR A 31 9.024 10.840 -2.905 1.00 0.00 H new ATOM 0 HA THR A 31 11.294 9.370 -2.087 1.00 0.00 H new ATOM 0 HB THR A 31 12.281 10.149 -4.176 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.016 11.919 -4.381 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.526 9.456 -5.766 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.575 8.397 -4.337 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.303 9.633 -4.486 1.00 0.00 H new ATOM 475 N TRP A 32 11.323 12.597 -1.587 1.00 0.00 N ATOM 476 CA TRP A 32 12.052 13.692 -0.956 1.00 0.00 C ATOM 477 C TRP A 32 12.434 13.339 0.477 1.00 0.00 C ATOM 478 O TRP A 32 11.578 12.981 1.286 1.00 0.00 O ATOM 479 CB TRP A 32 11.210 14.969 -0.973 1.00 0.00 C ATOM 480 CG TRP A 32 11.034 15.546 -2.345 1.00 0.00 C ATOM 481 CD1 TRP A 32 10.285 15.027 -3.362 1.00 0.00 C ATOM 482 CD2 TRP A 32 11.619 16.752 -2.849 1.00 0.00 C ATOM 483 NE1 TRP A 32 10.370 15.837 -4.469 1.00 0.00 N ATOM 484 CE2 TRP A 32 11.181 16.902 -4.180 1.00 0.00 C ATOM 485 CE3 TRP A 32 12.468 17.720 -2.306 1.00 0.00 C ATOM 486 CZ2 TRP A 32 11.566 17.981 -4.972 1.00 0.00 C ATOM 487 CZ3 TRP A 32 12.850 18.789 -3.094 1.00 0.00 C ATOM 488 CH2 TRP A 32 12.399 18.913 -4.415 1.00 0.00 C ATOM 0 H TRP A 32 10.364 12.825 -1.851 1.00 0.00 H new ATOM 0 HA TRP A 32 12.967 13.861 -1.524 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.229 14.755 -0.548 1.00 0.00 H new ATOM 0 HB3 TRP A 32 11.680 15.714 -0.331 1.00 0.00 H new ATOM 0 HD1 TRP A 32 9.710 14.114 -3.305 1.00 0.00 H new ATOM 0 HE1 TRP A 32 9.904 15.672 -5.361 1.00 0.00 H new ATOM 0 HE3 TRP A 32 12.819 17.634 -1.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 11.219 18.079 -5.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 13.507 19.542 -2.685 1.00 0.00 H new ATOM 0 HH2 TRP A 32 12.715 19.761 -5.005 1.00 0.00 H new ATOM 499 N ASP A 33 13.722 13.441 0.784 1.00 0.00 N ATOM 500 CA ASP A 33 14.216 13.133 2.121 1.00 0.00 C ATOM 501 C ASP A 33 13.290 13.708 3.188 1.00 0.00 C ATOM 502 O ASP A 33 13.099 13.110 4.247 1.00 0.00 O ATOM 503 CB ASP A 33 15.631 13.683 2.305 1.00 0.00 C ATOM 504 CG ASP A 33 16.691 12.751 1.752 1.00 0.00 C ATOM 505 OD1 ASP A 33 16.411 12.061 0.749 1.00 0.00 O ATOM 506 OD2 ASP A 33 17.801 12.712 2.322 1.00 0.00 O ATOM 0 H ASP A 33 14.443 13.735 0.125 1.00 0.00 H new ATOM 0 HA ASP A 33 14.240 12.049 2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.709 14.651 1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.817 13.851 3.366 1.00 0.00 H new ATOM 511 N SER A 34 12.719 14.874 2.903 1.00 0.00 N ATOM 512 CA SER A 34 11.817 15.533 3.840 1.00 0.00 C ATOM 513 C SER A 34 10.609 14.652 4.142 1.00 0.00 C ATOM 514 O SER A 34 10.155 14.573 5.283 1.00 0.00 O ATOM 515 CB SER A 34 11.354 16.878 3.275 1.00 0.00 C ATOM 516 OG SER A 34 10.488 17.540 4.180 1.00 0.00 O ATOM 0 H SER A 34 12.865 15.382 2.031 1.00 0.00 H new ATOM 0 HA SER A 34 12.360 15.705 4.769 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.220 17.507 3.069 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.842 16.720 2.326 1.00 0.00 H new ATOM 0 HG SER A 34 10.207 18.397 3.797 1.00 0.00 H new ATOM 522 N ALA A 35 10.093 13.993 3.110 1.00 0.00 N ATOM 523 CA ALA A 35 8.938 13.116 3.264 1.00 0.00 C ATOM 524 C ALA A 35 9.097 12.208 4.479 1.00 0.00 C ATOM 525 O ALA A 35 10.211 11.961 4.939 1.00 0.00 O ATOM 526 CB ALA A 35 8.735 12.286 2.006 1.00 0.00 C ATOM 0 H ALA A 35 10.456 14.049 2.158 1.00 0.00 H new ATOM 0 HA ALA A 35 8.058 13.739 3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.870 11.636 2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.568 12.948 1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.621 11.678 1.824 1.00 0.00 H new ATOM 532 N GLN A 36 7.975 11.716 4.995 1.00 0.00 N ATOM 533 CA GLN A 36 7.991 10.836 6.158 1.00 0.00 C ATOM 534 C GLN A 36 6.899 9.776 6.054 1.00 0.00 C ATOM 535 O GLN A 36 5.966 9.907 5.261 1.00 0.00 O ATOM 536 CB GLN A 36 7.808 11.649 7.441 1.00 0.00 C ATOM 537 CG GLN A 36 8.890 12.695 7.657 1.00 0.00 C ATOM 538 CD GLN A 36 8.459 13.791 8.613 1.00 0.00 C ATOM 539 OE1 GLN A 36 7.739 14.714 8.233 1.00 0.00 O ATOM 540 NE2 GLN A 36 8.899 13.693 9.862 1.00 0.00 N ATOM 0 H GLN A 36 7.044 11.912 4.626 1.00 0.00 H new ATOM 0 HA GLN A 36 8.958 10.334 6.189 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.837 12.143 7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.795 10.970 8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.786 12.211 8.045 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.158 13.139 6.698 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.494 12.910 10.133 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.642 14.400 10.550 1.00 0.00 H new ATOM 549 N VAL A 37 7.022 8.726 6.859 1.00 0.00 N ATOM 550 CA VAL A 37 6.046 7.644 6.858 1.00 0.00 C ATOM 551 C VAL A 37 4.635 8.176 6.629 1.00 0.00 C ATOM 552 O VAL A 37 3.887 7.647 5.806 1.00 0.00 O ATOM 553 CB VAL A 37 6.077 6.859 8.183 1.00 0.00 C ATOM 554 CG1 VAL A 37 7.226 5.862 8.186 1.00 0.00 C ATOM 555 CG2 VAL A 37 6.183 7.811 9.364 1.00 0.00 C ATOM 0 H VAL A 37 7.788 8.602 7.520 1.00 0.00 H new ATOM 0 HA VAL A 37 6.316 6.975 6.041 1.00 0.00 H new ATOM 0 HB VAL A 37 5.145 6.303 8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.232 5.317 9.130 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.100 5.160 7.362 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.170 6.394 8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.204 7.239 10.292 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.098 8.397 9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.323 8.481 9.370 1.00 0.00 H new ATOM 565 N PHE A 38 4.278 9.225 7.361 1.00 0.00 N ATOM 566 CA PHE A 38 2.957 9.830 7.238 1.00 0.00 C ATOM 567 C PHE A 38 2.638 10.148 5.780 1.00 0.00 C ATOM 568 O PHE A 38 1.670 9.636 5.219 1.00 0.00 O ATOM 569 CB PHE A 38 2.875 11.105 8.080 1.00 0.00 C ATOM 570 CG PHE A 38 1.491 11.408 8.577 1.00 0.00 C ATOM 571 CD1 PHE A 38 0.381 11.098 7.806 1.00 0.00 C ATOM 572 CD2 PHE A 38 1.298 12.001 9.814 1.00 0.00 C ATOM 573 CE1 PHE A 38 -0.894 11.376 8.261 1.00 0.00 C ATOM 574 CE2 PHE A 38 0.025 12.282 10.273 1.00 0.00 C ATOM 575 CZ PHE A 38 -1.072 11.968 9.496 1.00 0.00 C ATOM 0 H PHE A 38 4.885 9.674 8.046 1.00 0.00 H new ATOM 0 HA PHE A 38 2.222 9.114 7.605 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.546 11.011 8.934 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.231 11.947 7.486 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.514 10.634 6.840 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.153 12.247 10.427 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.751 11.130 7.651 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.111 12.747 11.238 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.068 12.185 9.853 1.00 0.00 H new ATOM 585 N ASP A 39 3.460 10.998 5.173 1.00 0.00 N ATOM 586 CA ASP A 39 3.268 11.385 3.781 1.00 0.00 C ATOM 587 C ASP A 39 2.896 10.177 2.927 1.00 0.00 C ATOM 588 O ASP A 39 1.841 10.152 2.292 1.00 0.00 O ATOM 589 CB ASP A 39 4.535 12.043 3.232 1.00 0.00 C ATOM 590 CG ASP A 39 4.610 13.521 3.563 1.00 0.00 C ATOM 591 OD1 ASP A 39 3.544 14.136 3.776 1.00 0.00 O ATOM 592 OD2 ASP A 39 5.734 14.062 3.609 1.00 0.00 O ATOM 0 H ASP A 39 4.266 11.432 5.624 1.00 0.00 H new ATOM 0 HA ASP A 39 2.449 12.103 3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.410 11.537 3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.569 11.914 2.150 1.00 0.00 H new ATOM 597 N LEU A 40 3.770 9.177 2.915 1.00 0.00 N ATOM 598 CA LEU A 40 3.535 7.965 2.137 1.00 0.00 C ATOM 599 C LEU A 40 2.316 7.211 2.659 1.00 0.00 C ATOM 600 O LEU A 40 1.728 6.395 1.950 1.00 0.00 O ATOM 601 CB LEU A 40 4.767 7.059 2.184 1.00 0.00 C ATOM 602 CG LEU A 40 4.588 5.653 1.610 1.00 0.00 C ATOM 603 CD1 LEU A 40 4.196 5.721 0.142 1.00 0.00 C ATOM 604 CD2 LEU A 40 5.861 4.838 1.786 1.00 0.00 C ATOM 0 H LEU A 40 4.648 9.181 3.435 1.00 0.00 H new ATOM 0 HA LEU A 40 3.344 8.257 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.576 7.550 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.087 6.968 3.222 1.00 0.00 H new ATOM 0 HG LEU A 40 3.785 5.159 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.073 4.711 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.257 6.266 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.976 6.235 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.715 3.841 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.683 5.330 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.099 4.759 2.847 1.00 0.00 H new ATOM 616 N ALA A 41 1.940 7.493 3.902 1.00 0.00 N ATOM 617 CA ALA A 41 0.788 6.845 4.518 1.00 0.00 C ATOM 618 C ALA A 41 -0.507 7.560 4.147 1.00 0.00 C ATOM 619 O ALA A 41 -1.591 6.985 4.235 1.00 0.00 O ATOM 620 CB ALA A 41 0.953 6.799 6.029 1.00 0.00 C ATOM 0 H ALA A 41 2.416 8.166 4.503 1.00 0.00 H new ATOM 0 HA ALA A 41 0.731 5.825 4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.086 6.313 6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.853 6.237 6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.039 7.814 6.417 1.00 0.00 H new ATOM 626 N GLN A 42 -0.385 8.817 3.732 1.00 0.00 N ATOM 627 CA GLN A 42 -1.547 9.611 3.350 1.00 0.00 C ATOM 628 C GLN A 42 -1.981 9.287 1.924 1.00 0.00 C ATOM 629 O GLN A 42 -3.167 9.091 1.653 1.00 0.00 O ATOM 630 CB GLN A 42 -1.236 11.103 3.475 1.00 0.00 C ATOM 631 CG GLN A 42 -0.757 11.511 4.859 1.00 0.00 C ATOM 632 CD GLN A 42 -1.132 12.937 5.209 1.00 0.00 C ATOM 633 OE1 GLN A 42 -2.220 13.406 4.873 1.00 0.00 O ATOM 634 NE2 GLN A 42 -0.232 13.636 5.890 1.00 0.00 N ATOM 0 H GLN A 42 0.506 9.307 3.652 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.365 9.361 4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.474 11.369 2.743 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.130 11.674 3.226 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.183 10.835 5.601 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.326 11.401 4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.657 13.208 6.148 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.430 14.601 6.155 1.00 0.00 H new ATOM 643 N THR A 43 -1.014 9.234 1.014 1.00 0.00 N ATOM 644 CA THR A 43 -1.296 8.936 -0.385 1.00 0.00 C ATOM 645 C THR A 43 -2.060 7.625 -0.525 1.00 0.00 C ATOM 646 O THR A 43 -2.715 7.381 -1.539 1.00 0.00 O ATOM 647 CB THR A 43 -0.001 8.853 -1.214 1.00 0.00 C ATOM 648 OG1 THR A 43 -0.306 8.939 -2.610 1.00 0.00 O ATOM 649 CG2 THR A 43 0.741 7.555 -0.931 1.00 0.00 C ATOM 0 H THR A 43 -0.028 9.394 1.221 1.00 0.00 H new ATOM 0 HA THR A 43 -1.910 9.753 -0.764 1.00 0.00 H new ATOM 0 HB THR A 43 0.639 9.688 -0.930 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.523 8.887 -3.130 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.652 7.519 -1.528 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.998 7.506 0.127 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.105 6.708 -1.189 1.00 0.00 H new ATOM 657 N LEU A 44 -1.974 6.783 0.500 1.00 0.00 N ATOM 658 CA LEU A 44 -2.659 5.495 0.492 1.00 0.00 C ATOM 659 C LEU A 44 -3.866 5.515 1.424 1.00 0.00 C ATOM 660 O LEU A 44 -4.871 4.850 1.168 1.00 0.00 O ATOM 661 CB LEU A 44 -1.697 4.381 0.908 1.00 0.00 C ATOM 662 CG LEU A 44 -0.349 4.354 0.186 1.00 0.00 C ATOM 663 CD1 LEU A 44 0.647 3.492 0.946 1.00 0.00 C ATOM 664 CD2 LEU A 44 -0.517 3.847 -1.239 1.00 0.00 C ATOM 0 H LEU A 44 -1.437 6.969 1.347 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.009 5.304 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.512 4.469 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.191 3.423 0.748 1.00 0.00 H new ATOM 0 HG LEU A 44 0.039 5.372 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.600 3.485 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.791 3.899 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.265 2.474 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.452 3.835 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.928 2.838 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.196 4.505 -1.782 1.00 0.00 H new ATOM 676 N ARG A 45 -3.761 6.282 2.504 1.00 0.00 N ATOM 677 CA ARG A 45 -4.844 6.388 3.474 1.00 0.00 C ATOM 678 C ARG A 45 -6.202 6.334 2.780 1.00 0.00 C ATOM 679 O ARG A 45 -7.093 5.593 3.195 1.00 0.00 O ATOM 680 CB ARG A 45 -4.718 7.688 4.270 1.00 0.00 C ATOM 681 CG ARG A 45 -5.799 7.864 5.324 1.00 0.00 C ATOM 682 CD ARG A 45 -6.106 9.333 5.567 1.00 0.00 C ATOM 683 NE ARG A 45 -7.402 9.521 6.215 1.00 0.00 N ATOM 684 CZ ARG A 45 -8.055 10.678 6.230 1.00 0.00 C ATOM 685 NH1 ARG A 45 -7.537 11.743 5.635 1.00 0.00 N ATOM 686 NH2 ARG A 45 -9.230 10.770 6.840 1.00 0.00 N ATOM 0 H ARG A 45 -2.937 6.839 2.729 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.770 5.542 4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.742 7.714 4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.754 8.531 3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.706 7.349 5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.479 7.399 6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.323 9.769 6.188 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.094 9.868 4.617 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.829 8.720 6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.635 11.676 5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.041 12.630 5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.632 9.952 7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.731 11.659 6.851 1.00 0.00 H new ATOM 700 N ASP A 46 -6.352 7.124 1.723 1.00 0.00 N ATOM 701 CA ASP A 46 -7.601 7.166 0.971 1.00 0.00 C ATOM 702 C ASP A 46 -8.014 5.767 0.525 1.00 0.00 C ATOM 703 O ASP A 46 -9.134 5.328 0.781 1.00 0.00 O ATOM 704 CB ASP A 46 -7.458 8.081 -0.246 1.00 0.00 C ATOM 705 CG ASP A 46 -7.151 9.514 0.140 1.00 0.00 C ATOM 706 OD1 ASP A 46 -6.044 9.765 0.661 1.00 0.00 O ATOM 707 OD2 ASP A 46 -8.017 10.386 -0.079 1.00 0.00 O ATOM 0 H ASP A 46 -5.624 7.744 1.367 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.377 7.563 1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.664 7.703 -0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.380 8.054 -0.828 1.00 0.00 H new ATOM 712 N GLY A 47 -7.100 5.071 -0.146 1.00 0.00 N ATOM 713 CA GLY A 47 -7.389 3.729 -0.618 1.00 0.00 C ATOM 714 C GLY A 47 -7.662 3.685 -2.108 1.00 0.00 C ATOM 715 O GLY A 47 -8.278 2.743 -2.606 1.00 0.00 O ATOM 0 H GLY A 47 -6.166 5.413 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.547 3.077 -0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.253 3.337 -0.082 1.00 0.00 H new ATOM 719 N VAL A 48 -7.205 4.709 -2.822 1.00 0.00 N ATOM 720 CA VAL A 48 -7.404 4.784 -4.265 1.00 0.00 C ATOM 721 C VAL A 48 -6.190 4.250 -5.016 1.00 0.00 C ATOM 722 O VAL A 48 -6.310 3.737 -6.129 1.00 0.00 O ATOM 723 CB VAL A 48 -7.681 6.230 -4.719 1.00 0.00 C ATOM 724 CG1 VAL A 48 -7.796 6.301 -6.234 1.00 0.00 C ATOM 725 CG2 VAL A 48 -8.940 6.765 -4.054 1.00 0.00 C ATOM 0 H VAL A 48 -6.695 5.498 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.271 4.166 -4.497 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.843 6.856 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.992 7.330 -6.536 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.864 5.961 -6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.615 5.663 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.120 7.787 -4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.790 6.139 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.813 6.752 -2.971 1.00 0.00 H new ATOM 735 N LEU A 49 -5.019 4.375 -4.400 1.00 0.00 N ATOM 736 CA LEU A 49 -3.780 3.904 -5.010 1.00 0.00 C ATOM 737 C LEU A 49 -3.559 2.423 -4.721 1.00 0.00 C ATOM 738 O LEU A 49 -3.383 1.620 -5.637 1.00 0.00 O ATOM 739 CB LEU A 49 -2.593 4.720 -4.494 1.00 0.00 C ATOM 740 CG LEU A 49 -1.281 4.555 -5.262 1.00 0.00 C ATOM 741 CD1 LEU A 49 -1.489 4.836 -6.742 1.00 0.00 C ATOM 742 CD2 LEU A 49 -0.209 5.470 -4.689 1.00 0.00 C ATOM 0 H LEU A 49 -4.902 4.798 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.862 4.035 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.869 5.774 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.418 4.450 -3.453 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.946 3.523 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.544 4.714 -7.272 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.224 4.139 -7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.848 5.857 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.718 5.339 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.536 6.507 -4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.039 5.220 -3.642 1.00 0.00 H new ATOM 754 N LEU A 50 -3.572 2.068 -3.441 1.00 0.00 N ATOM 755 CA LEU A 50 -3.374 0.682 -3.029 1.00 0.00 C ATOM 756 C LEU A 50 -3.987 -0.279 -4.043 1.00 0.00 C ATOM 757 O LEU A 50 -3.291 -1.115 -4.620 1.00 0.00 O ATOM 758 CB LEU A 50 -3.991 0.446 -1.649 1.00 0.00 C ATOM 759 CG LEU A 50 -3.074 0.702 -0.452 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.858 0.618 0.848 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.917 -0.286 -0.446 1.00 0.00 C ATOM 0 H LEU A 50 -3.717 2.720 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.302 0.493 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.869 1.084 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.340 -0.586 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.665 1.708 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.189 0.803 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.651 1.366 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.297 -0.375 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.275 -0.089 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.307 -1.302 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.340 -0.176 -1.364 1.00 0.00 H new ATOM 773 N CYS A 51 -5.292 -0.152 -4.257 1.00 0.00 N ATOM 774 CA CYS A 51 -5.999 -1.009 -5.203 1.00 0.00 C ATOM 775 C CYS A 51 -5.242 -1.100 -6.524 1.00 0.00 C ATOM 776 O CYS A 51 -5.134 -2.173 -7.115 1.00 0.00 O ATOM 777 CB CYS A 51 -7.412 -0.478 -5.445 1.00 0.00 C ATOM 778 SG CYS A 51 -8.565 -0.803 -4.091 1.00 0.00 S ATOM 0 H CYS A 51 -5.882 0.536 -3.789 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.064 -2.009 -4.773 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.360 0.598 -5.614 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.805 -0.925 -6.358 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.175 0.298 -3.766 1.00 0.00 H new ATOM 784 N GLN A 52 -4.723 0.035 -6.982 1.00 0.00 N ATOM 785 CA GLN A 52 -3.979 0.084 -8.235 1.00 0.00 C ATOM 786 C GLN A 52 -2.793 -0.874 -8.201 1.00 0.00 C ATOM 787 O GLN A 52 -2.614 -1.691 -9.105 1.00 0.00 O ATOM 788 CB GLN A 52 -3.493 1.508 -8.509 1.00 0.00 C ATOM 789 CG GLN A 52 -4.603 2.546 -8.479 1.00 0.00 C ATOM 790 CD GLN A 52 -4.284 3.766 -9.320 1.00 0.00 C ATOM 791 OE1 GLN A 52 -3.418 4.567 -8.969 1.00 0.00 O ATOM 792 NE2 GLN A 52 -4.984 3.913 -10.439 1.00 0.00 N ATOM 0 H GLN A 52 -4.804 0.932 -6.504 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.648 -0.224 -9.038 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.738 1.774 -7.769 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.007 1.536 -9.484 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.528 2.094 -8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.778 2.855 -7.449 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.693 3.224 -10.691 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.813 4.715 -11.046 1.00 0.00 H new ATOM 801 N LEU A 53 -1.983 -0.768 -7.153 1.00 0.00 N ATOM 802 CA LEU A 53 -0.812 -1.624 -7.001 1.00 0.00 C ATOM 803 C LEU A 53 -1.091 -3.027 -7.531 1.00 0.00 C ATOM 804 O LEU A 53 -0.389 -3.520 -8.415 1.00 0.00 O ATOM 805 CB LEU A 53 -0.396 -1.696 -5.531 1.00 0.00 C ATOM 806 CG LEU A 53 0.688 -2.719 -5.189 1.00 0.00 C ATOM 807 CD1 LEU A 53 2.002 -2.348 -5.859 1.00 0.00 C ATOM 808 CD2 LEU A 53 0.867 -2.823 -3.682 1.00 0.00 C ATOM 0 H LEU A 53 -2.116 -0.097 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 53 0.002 -1.191 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.047 -0.710 -5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.280 -1.920 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 53 0.374 -3.692 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.762 -3.087 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.866 -2.326 -6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.322 -1.365 -5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.642 -3.556 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.159 -1.852 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.072 -3.136 -3.225 1.00 0.00 H new ATOM 820 N LEU A 54 -2.122 -3.665 -6.987 1.00 0.00 N ATOM 821 CA LEU A 54 -2.496 -5.011 -7.407 1.00 0.00 C ATOM 822 C LEU A 54 -2.857 -5.039 -8.889 1.00 0.00 C ATOM 823 O LEU A 54 -2.456 -5.944 -9.619 1.00 0.00 O ATOM 824 CB LEU A 54 -3.674 -5.518 -6.573 1.00 0.00 C ATOM 825 CG LEU A 54 -3.449 -5.581 -5.062 1.00 0.00 C ATOM 826 CD1 LEU A 54 -4.747 -5.916 -4.343 1.00 0.00 C ATOM 827 CD2 LEU A 54 -2.372 -6.601 -4.726 1.00 0.00 C ATOM 0 H LEU A 54 -2.713 -3.272 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.639 -5.666 -7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.533 -4.875 -6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.938 -6.516 -6.923 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.112 -4.602 -4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.568 -5.957 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.491 -5.149 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.114 -6.883 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.225 -6.633 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.680 -7.585 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.438 -6.317 -5.211 1.00 0.00 H new ATOM 839 N ASN A 55 -3.617 -4.040 -9.326 1.00 0.00 N ATOM 840 CA ASN A 55 -4.031 -3.949 -10.721 1.00 0.00 C ATOM 841 C ASN A 55 -2.819 -3.852 -11.643 1.00 0.00 C ATOM 842 O ASN A 55 -2.904 -4.163 -12.831 1.00 0.00 O ATOM 843 CB ASN A 55 -4.941 -2.736 -10.927 1.00 0.00 C ATOM 844 CG ASN A 55 -6.226 -2.835 -10.127 1.00 0.00 C ATOM 845 OD1 ASN A 55 -6.540 -3.883 -9.564 1.00 0.00 O ATOM 846 ND2 ASN A 55 -6.975 -1.740 -10.074 1.00 0.00 N ATOM 0 H ASN A 55 -3.958 -3.283 -8.734 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.583 -4.855 -10.970 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.406 -1.831 -10.640 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.182 -2.641 -11.986 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.850 -1.746 -9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.675 -0.893 -10.557 1.00 0.00 H new ATOM 853 N ASN A 56 -1.693 -3.418 -11.087 1.00 0.00 N ATOM 854 CA ASN A 56 -0.463 -3.280 -11.859 1.00 0.00 C ATOM 855 C ASN A 56 0.244 -4.624 -12.001 1.00 0.00 C ATOM 856 O ASN A 56 0.752 -4.962 -13.071 1.00 0.00 O ATOM 857 CB ASN A 56 0.470 -2.267 -11.194 1.00 0.00 C ATOM 858 CG ASN A 56 0.221 -0.849 -11.672 1.00 0.00 C ATOM 859 OD1 ASN A 56 0.304 -0.562 -12.866 1.00 0.00 O ATOM 860 ND2 ASN A 56 -0.086 0.044 -10.739 1.00 0.00 N ATOM 0 H ASN A 56 -1.606 -3.156 -10.105 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.726 -2.922 -12.854 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.338 -2.311 -10.113 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.505 -2.540 -11.400 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.264 1.014 -11.000 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.144 -0.240 -9.761 1.00 0.00 H new ATOM 867 N LEU A 57 0.274 -5.388 -10.914 1.00 0.00 N ATOM 868 CA LEU A 57 0.919 -6.696 -10.916 1.00 0.00 C ATOM 869 C LEU A 57 0.083 -7.714 -11.686 1.00 0.00 C ATOM 870 O LEU A 57 0.573 -8.364 -12.609 1.00 0.00 O ATOM 871 CB LEU A 57 1.139 -7.180 -9.482 1.00 0.00 C ATOM 872 CG LEU A 57 1.667 -6.138 -8.495 1.00 0.00 C ATOM 873 CD1 LEU A 57 1.728 -6.716 -7.090 1.00 0.00 C ATOM 874 CD2 LEU A 57 3.038 -5.640 -8.929 1.00 0.00 C ATOM 0 H LEU A 57 -0.141 -5.124 -10.020 1.00 0.00 H new ATOM 0 HA LEU A 57 1.885 -6.597 -11.412 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.193 -7.566 -9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.838 -8.016 -9.505 1.00 0.00 H new ATOM 0 HG LEU A 57 0.980 -5.292 -8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.106 -5.960 -6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.729 -7.023 -6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.392 -7.580 -7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.399 -4.899 -8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.735 -6.478 -8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.964 -5.186 -9.917 1.00 0.00 H new ATOM 886 N ARG A 58 -1.182 -7.846 -11.300 1.00 0.00 N ATOM 887 CA ARG A 58 -2.087 -8.783 -11.955 1.00 0.00 C ATOM 888 C ARG A 58 -3.241 -8.046 -12.627 1.00 0.00 C ATOM 889 O ARG A 58 -3.623 -6.955 -12.206 1.00 0.00 O ATOM 890 CB ARG A 58 -2.633 -9.790 -10.941 1.00 0.00 C ATOM 891 CG ARG A 58 -2.952 -11.149 -11.543 1.00 0.00 C ATOM 892 CD ARG A 58 -4.040 -11.864 -10.758 1.00 0.00 C ATOM 893 NE ARG A 58 -4.532 -13.048 -11.458 1.00 0.00 N ATOM 894 CZ ARG A 58 -3.918 -14.226 -11.432 1.00 0.00 C ATOM 895 NH1 ARG A 58 -2.795 -14.376 -10.743 1.00 0.00 N ATOM 896 NH2 ARG A 58 -4.428 -15.256 -12.095 1.00 0.00 N ATOM 0 H ARG A 58 -1.603 -7.316 -10.537 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.525 -9.317 -12.721 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.904 -9.919 -10.141 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.536 -9.382 -10.487 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.271 -11.024 -12.578 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.051 -11.762 -11.559 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.651 -12.155 -9.782 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.868 -11.178 -10.579 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.394 -12.966 -11.996 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.401 -13.586 -10.232 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.325 -15.281 -10.724 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.292 -15.144 -12.625 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.956 -16.160 -12.074 1.00 0.00 H new ATOM 910 N ALA A 59 -3.791 -8.649 -13.676 1.00 0.00 N ATOM 911 CA ALA A 59 -4.902 -8.051 -14.406 1.00 0.00 C ATOM 912 C ALA A 59 -6.237 -8.408 -13.762 1.00 0.00 C ATOM 913 O ALA A 59 -6.391 -9.483 -13.182 1.00 0.00 O ATOM 914 CB ALA A 59 -4.879 -8.497 -15.860 1.00 0.00 C ATOM 0 H ALA A 59 -3.485 -9.552 -14.039 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.788 -6.968 -14.368 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.714 -8.043 -16.393 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.942 -8.186 -16.321 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.965 -9.583 -15.909 1.00 0.00 H new ATOM 920 N HIS A 60 -7.202 -7.499 -13.867 1.00 0.00 N ATOM 921 CA HIS A 60 -8.525 -7.718 -13.295 1.00 0.00 C ATOM 922 C HIS A 60 -8.431 -7.984 -11.795 1.00 0.00 C ATOM 923 O HIS A 60 -9.221 -8.747 -11.240 1.00 0.00 O ATOM 924 CB HIS A 60 -9.217 -8.891 -13.990 1.00 0.00 C ATOM 925 CG HIS A 60 -9.107 -8.852 -15.483 1.00 0.00 C ATOM 926 ND1 HIS A 60 -9.219 -9.975 -16.276 1.00 0.00 N ATOM 927 CD2 HIS A 60 -8.895 -7.816 -16.328 1.00 0.00 C ATOM 928 CE1 HIS A 60 -9.079 -9.631 -17.544 1.00 0.00 C ATOM 929 NE2 HIS A 60 -8.882 -8.327 -17.603 1.00 0.00 N ATOM 0 H HIS A 60 -7.092 -6.604 -14.343 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.115 -6.815 -13.450 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.786 -9.824 -13.626 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.271 -8.897 -13.712 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.761 -6.781 -16.051 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.119 -10.303 -18.389 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -8.743 -7.787 -18.457 1.00 0.00 H new ATOM 938 N SER A 61 -7.460 -7.349 -11.146 1.00 0.00 N ATOM 939 CA SER A 61 -7.260 -7.521 -9.712 1.00 0.00 C ATOM 940 C SER A 61 -8.321 -6.762 -8.921 1.00 0.00 C ATOM 941 O SER A 61 -8.851 -7.266 -7.931 1.00 0.00 O ATOM 942 CB SER A 61 -5.865 -7.038 -9.309 1.00 0.00 C ATOM 943 OG SER A 61 -4.874 -7.564 -10.175 1.00 0.00 O ATOM 0 H SER A 61 -6.800 -6.711 -11.590 1.00 0.00 H new ATOM 0 HA SER A 61 -7.350 -8.583 -9.482 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.833 -5.949 -9.333 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.654 -7.341 -8.283 1.00 0.00 H new ATOM 0 HG SER A 61 -4.846 -7.035 -11.000 1.00 0.00 H new ATOM 949 N ILE A 62 -8.626 -5.547 -9.366 1.00 0.00 N ATOM 950 CA ILE A 62 -9.624 -4.719 -8.701 1.00 0.00 C ATOM 951 C ILE A 62 -10.338 -3.812 -9.698 1.00 0.00 C ATOM 952 O ILE A 62 -9.703 -3.166 -10.530 1.00 0.00 O ATOM 953 CB ILE A 62 -8.991 -3.851 -7.597 1.00 0.00 C ATOM 954 CG1 ILE A 62 -8.264 -4.733 -6.580 1.00 0.00 C ATOM 955 CG2 ILE A 62 -10.055 -3.008 -6.911 1.00 0.00 C ATOM 956 CD1 ILE A 62 -7.612 -3.951 -5.461 1.00 0.00 C ATOM 0 H ILE A 62 -8.196 -5.115 -10.184 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.346 -5.398 -8.248 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.263 -3.180 -8.054 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.973 -5.441 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.502 -5.317 -7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.592 -2.400 -6.133 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.532 -2.358 -7.644 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.804 -3.661 -6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.115 -4.639 -4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.878 -3.262 -5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.372 -3.388 -4.920 1.00 0.00 H new ATOM 968 N ASN A 63 -11.663 -3.769 -9.606 1.00 0.00 N ATOM 969 CA ASN A 63 -12.465 -2.941 -10.499 1.00 0.00 C ATOM 970 C ASN A 63 -12.477 -1.489 -10.029 1.00 0.00 C ATOM 971 O ASN A 63 -13.194 -1.135 -9.092 1.00 0.00 O ATOM 972 CB ASN A 63 -13.896 -3.475 -10.578 1.00 0.00 C ATOM 973 CG ASN A 63 -14.792 -2.606 -11.439 1.00 0.00 C ATOM 974 OD1 ASN A 63 -14.352 -1.597 -11.990 1.00 0.00 O ATOM 975 ND2 ASN A 63 -16.055 -2.996 -11.560 1.00 0.00 N ATOM 0 H ASN A 63 -12.204 -4.298 -8.922 1.00 0.00 H new ATOM 0 HA ASN A 63 -12.016 -2.980 -11.491 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.881 -4.488 -10.981 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.313 -3.538 -9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.705 -2.452 -12.128 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.376 -3.840 -11.085 1.00 0.00 H new ATOM 982 N LEU A 64 -11.681 -0.653 -10.686 1.00 0.00 N ATOM 983 CA LEU A 64 -11.600 0.761 -10.337 1.00 0.00 C ATOM 984 C LEU A 64 -12.986 1.332 -10.057 1.00 0.00 C ATOM 985 O LEU A 64 -13.149 2.204 -9.202 1.00 0.00 O ATOM 986 CB LEU A 64 -10.930 1.547 -11.464 1.00 0.00 C ATOM 987 CG LEU A 64 -9.505 1.123 -11.824 1.00 0.00 C ATOM 988 CD1 LEU A 64 -9.079 1.749 -13.143 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.538 1.505 -10.713 1.00 0.00 C ATOM 0 H LEU A 64 -11.082 -0.930 -11.464 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.999 0.853 -9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.549 1.462 -12.357 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.915 2.601 -11.186 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.487 0.039 -11.937 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.063 1.436 -13.383 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.755 1.425 -13.935 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.114 2.835 -13.058 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.529 1.196 -10.986 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.559 2.585 -10.567 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.832 1.008 -9.788 1.00 0.00 H new ATOM 1001 N LYS A 65 -13.983 0.835 -10.781 1.00 0.00 N ATOM 1002 CA LYS A 65 -15.357 1.292 -10.609 1.00 0.00 C ATOM 1003 C LYS A 65 -15.897 0.891 -9.240 1.00 0.00 C ATOM 1004 O LYS A 65 -16.623 1.652 -8.602 1.00 0.00 O ATOM 1005 CB LYS A 65 -16.249 0.716 -11.711 1.00 0.00 C ATOM 1006 CG LYS A 65 -15.782 1.061 -13.114 1.00 0.00 C ATOM 1007 CD LYS A 65 -16.022 2.526 -13.437 1.00 0.00 C ATOM 1008 CE LYS A 65 -17.501 2.817 -13.645 1.00 0.00 C ATOM 1009 NZ LYS A 65 -17.725 4.177 -14.208 1.00 0.00 N ATOM 0 H LYS A 65 -13.865 0.115 -11.493 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.363 2.380 -10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.287 -0.368 -11.606 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.265 1.085 -11.574 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.720 0.835 -13.211 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.308 0.437 -13.837 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.639 3.146 -12.626 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.467 2.797 -14.335 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -17.927 2.071 -14.316 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -18.026 2.727 -12.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.745 4.337 -14.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.341 4.890 -13.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.245 4.255 -15.127 1.00 0.00 H new ATOM 1023 N GLU A 66 -15.536 -0.309 -8.795 1.00 0.00 N ATOM 1024 CA GLU A 66 -15.985 -0.810 -7.502 1.00 0.00 C ATOM 1025 C GLU A 66 -15.397 0.019 -6.363 1.00 0.00 C ATOM 1026 O GLU A 66 -15.880 -0.032 -5.231 1.00 0.00 O ATOM 1027 CB GLU A 66 -15.591 -2.279 -7.334 1.00 0.00 C ATOM 1028 CG GLU A 66 -16.537 -3.246 -8.025 1.00 0.00 C ATOM 1029 CD GLU A 66 -16.481 -4.641 -7.432 1.00 0.00 C ATOM 1030 OE1 GLU A 66 -17.130 -4.868 -6.389 1.00 0.00 O ATOM 1031 OE2 GLU A 66 -15.789 -5.504 -8.010 1.00 0.00 O ATOM 0 H GLU A 66 -14.934 -0.951 -9.311 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.071 -0.726 -7.466 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.585 -2.424 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.554 -2.517 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.556 -2.865 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.289 -3.296 -9.085 1.00 0.00 H new ATOM 1038 N ILE A 67 -14.354 0.781 -6.672 1.00 0.00 N ATOM 1039 CA ILE A 67 -13.701 1.621 -5.676 1.00 0.00 C ATOM 1040 C ILE A 67 -13.870 3.100 -6.008 1.00 0.00 C ATOM 1041 O ILE A 67 -13.812 3.496 -7.171 1.00 0.00 O ATOM 1042 CB ILE A 67 -12.198 1.300 -5.566 1.00 0.00 C ATOM 1043 CG1 ILE A 67 -11.538 1.370 -6.945 1.00 0.00 C ATOM 1044 CG2 ILE A 67 -11.994 -0.073 -4.944 1.00 0.00 C ATOM 1045 CD1 ILE A 67 -10.034 1.205 -6.903 1.00 0.00 C ATOM 0 H ILE A 67 -13.943 0.834 -7.604 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.181 1.408 -4.721 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.729 2.043 -4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.963 0.595 -7.582 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.778 2.328 -7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.927 -0.285 -4.873 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.435 -0.090 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.474 -0.829 -5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.633 1.265 -7.915 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.598 1.996 -6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.786 0.235 -6.472 1.00 0.00 H new ATOM 1057 N ASN A 68 -14.077 3.912 -4.977 1.00 0.00 N ATOM 1058 CA ASN A 68 -14.253 5.348 -5.158 1.00 0.00 C ATOM 1059 C ASN A 68 -12.918 6.029 -5.441 1.00 0.00 C ATOM 1060 O ASN A 68 -12.205 6.429 -4.520 1.00 0.00 O ATOM 1061 CB ASN A 68 -14.900 5.965 -3.916 1.00 0.00 C ATOM 1062 CG ASN A 68 -16.076 5.152 -3.412 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -17.210 5.341 -3.852 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -15.810 4.240 -2.484 1.00 0.00 N ATOM 0 H ASN A 68 -14.127 3.600 -4.007 1.00 0.00 H new ATOM 0 HA ASN A 68 -14.908 5.503 -6.015 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.155 6.049 -3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.234 6.976 -4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.561 3.662 -2.107 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.855 4.118 -2.148 1.00 0.00 H new ATOM 1173 N GLN A 75 -14.586 9.614 5.028 1.00 0.00 N ATOM 1174 CA GLN A 75 -14.269 8.534 5.955 1.00 0.00 C ATOM 1175 C GLN A 75 -14.957 7.239 5.537 1.00 0.00 C ATOM 1176 O GLN A 75 -14.385 6.155 5.652 1.00 0.00 O ATOM 1177 CB GLN A 75 -14.688 8.913 7.376 1.00 0.00 C ATOM 1178 CG GLN A 75 -14.650 7.750 8.353 1.00 0.00 C ATOM 1179 CD GLN A 75 -15.392 8.044 9.642 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -16.608 8.235 9.642 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -14.661 8.083 10.750 1.00 0.00 N ATOM 0 HA GLN A 75 -13.191 8.375 5.933 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.032 9.704 7.740 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -15.698 9.322 7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.086 6.870 7.881 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.612 7.508 8.583 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.655 7.919 10.704 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.105 8.277 11.647 1.00 0.00 H new ATOM 1190 N PHE A 76 -16.189 7.359 5.054 1.00 0.00 N ATOM 1191 CA PHE A 76 -16.956 6.197 4.620 1.00 0.00 C ATOM 1192 C PHE A 76 -16.364 5.598 3.348 1.00 0.00 C ATOM 1193 O PHE A 76 -16.071 4.403 3.289 1.00 0.00 O ATOM 1194 CB PHE A 76 -18.417 6.584 4.383 1.00 0.00 C ATOM 1195 CG PHE A 76 -19.239 6.621 5.640 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -19.354 5.497 6.442 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -19.898 7.779 6.019 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -20.109 5.527 7.599 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -20.654 7.816 7.175 1.00 0.00 C ATOM 1200 CZ PHE A 76 -20.761 6.688 7.965 1.00 0.00 C ATOM 0 H PHE A 76 -16.678 8.249 4.953 1.00 0.00 H new ATOM 0 HA PHE A 76 -16.909 5.447 5.409 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -18.452 7.564 3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -18.864 5.874 3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -18.847 4.586 6.159 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -19.820 8.663 5.404 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -20.189 4.644 8.216 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -21.161 8.726 7.461 1.00 0.00 H new ATOM 0 HZ PHE A 76 -21.354 6.714 8.867 1.00 0.00 H new ATOM 1210 N LEU A 77 -16.192 6.435 2.331 1.00 0.00 N ATOM 1211 CA LEU A 77 -15.636 5.990 1.059 1.00 0.00 C ATOM 1212 C LEU A 77 -14.214 5.467 1.239 1.00 0.00 C ATOM 1213 O LEU A 77 -13.857 4.414 0.710 1.00 0.00 O ATOM 1214 CB LEU A 77 -15.645 7.136 0.046 1.00 0.00 C ATOM 1215 CG LEU A 77 -17.014 7.736 -0.276 1.00 0.00 C ATOM 1216 CD1 LEU A 77 -16.866 8.949 -1.182 1.00 0.00 C ATOM 1217 CD2 LEU A 77 -17.915 6.693 -0.921 1.00 0.00 C ATOM 0 H LEU A 77 -16.430 7.426 2.363 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.258 5.177 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.001 7.931 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.200 6.777 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.476 8.059 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.851 9.362 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.258 9.704 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.383 8.651 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.885 7.138 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.458 6.339 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.048 5.855 -0.237 1.00 0.00 H new ATOM 1229 N CYS A 78 -13.408 6.209 1.990 1.00 0.00 N ATOM 1230 CA CYS A 78 -12.025 5.820 2.242 1.00 0.00 C ATOM 1231 C CYS A 78 -11.960 4.469 2.948 1.00 0.00 C ATOM 1232 O CYS A 78 -11.432 3.498 2.405 1.00 0.00 O ATOM 1233 CB CYS A 78 -11.319 6.884 3.084 1.00 0.00 C ATOM 1234 SG CYS A 78 -10.828 8.355 2.155 1.00 0.00 S ATOM 0 H CYS A 78 -13.688 7.083 2.435 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.518 5.732 1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -11.979 7.185 3.898 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -10.433 6.442 3.539 1.00 0.00 H new ATOM 0 HG CYS A 78 -10.241 9.197 2.953 1.00 0.00 H new ATOM 1240 N LEU A 79 -12.498 4.416 4.161 1.00 0.00 N ATOM 1241 CA LEU A 79 -12.500 3.184 4.944 1.00 0.00 C ATOM 1242 C LEU A 79 -12.864 1.987 4.072 1.00 0.00 C ATOM 1243 O LEU A 79 -12.176 0.966 4.082 1.00 0.00 O ATOM 1244 CB LEU A 79 -13.483 3.299 6.110 1.00 0.00 C ATOM 1245 CG LEU A 79 -12.958 3.998 7.364 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -14.106 4.366 8.291 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -11.950 3.114 8.085 1.00 0.00 C ATOM 0 H LEU A 79 -12.938 5.211 4.624 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.496 3.031 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.366 3.835 5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.807 2.296 6.386 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.455 4.916 7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.713 4.863 9.178 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -14.791 5.037 7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.638 3.462 8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.587 3.628 8.975 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.429 2.179 8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.112 2.902 7.421 1.00 0.00 H new ATOM 1259 N LYS A 80 -13.950 2.119 3.318 1.00 0.00 N ATOM 1260 CA LYS A 80 -14.405 1.049 2.438 1.00 0.00 C ATOM 1261 C LYS A 80 -13.322 0.674 1.432 1.00 0.00 C ATOM 1262 O LYS A 80 -12.978 -0.498 1.285 1.00 0.00 O ATOM 1263 CB LYS A 80 -15.676 1.476 1.699 1.00 0.00 C ATOM 1264 CG LYS A 80 -16.323 0.354 0.905 1.00 0.00 C ATOM 1265 CD LYS A 80 -15.519 0.015 -0.339 1.00 0.00 C ATOM 1266 CE LYS A 80 -16.389 -0.633 -1.405 1.00 0.00 C ATOM 1267 NZ LYS A 80 -17.165 0.378 -2.176 1.00 0.00 N ATOM 0 H LYS A 80 -14.532 2.957 3.299 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.624 0.175 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.395 1.860 2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.435 2.296 1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.414 -0.532 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.333 0.646 0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.066 0.922 -0.739 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.704 -0.658 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.761 -1.207 -2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.076 -1.337 -0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.179 0.153 -2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.998 1.323 -1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.860 0.365 -3.170 1.00 0.00 H new ATOM 1281 N ASN A 81 -12.786 1.677 0.744 1.00 0.00 N ATOM 1282 CA ASN A 81 -11.740 1.452 -0.247 1.00 0.00 C ATOM 1283 C ASN A 81 -10.673 0.505 0.294 1.00 0.00 C ATOM 1284 O ASN A 81 -10.442 -0.569 -0.262 1.00 0.00 O ATOM 1285 CB ASN A 81 -11.100 2.780 -0.655 1.00 0.00 C ATOM 1286 CG ASN A 81 -11.908 3.512 -1.710 1.00 0.00 C ATOM 1287 OD1 ASN A 81 -12.828 2.949 -2.303 1.00 0.00 O ATOM 1288 ND2 ASN A 81 -11.565 4.772 -1.948 1.00 0.00 N ATOM 0 H ASN A 81 -13.059 2.654 0.855 1.00 0.00 H new ATOM 0 HA ASN A 81 -12.197 0.993 -1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.996 3.415 0.225 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.095 2.594 -1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.071 5.315 -2.647 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.795 5.197 -1.432 1.00 0.00 H new ATOM 1295 N ILE A 82 -10.027 0.911 1.382 1.00 0.00 N ATOM 1296 CA ILE A 82 -8.986 0.098 1.999 1.00 0.00 C ATOM 1297 C ILE A 82 -9.396 -1.369 2.057 1.00 0.00 C ATOM 1298 O ILE A 82 -8.626 -2.255 1.686 1.00 0.00 O ATOM 1299 CB ILE A 82 -8.661 0.586 3.423 1.00 0.00 C ATOM 1300 CG1 ILE A 82 -8.173 2.036 3.390 1.00 0.00 C ATOM 1301 CG2 ILE A 82 -7.617 -0.315 4.066 1.00 0.00 C ATOM 1302 CD1 ILE A 82 -8.202 2.714 4.742 1.00 0.00 C ATOM 0 H ILE A 82 -10.206 1.797 1.854 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.096 0.199 1.377 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.570 0.542 4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.154 2.059 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.792 2.603 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.398 0.043 5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.999 -1.335 4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.705 -0.299 3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.843 3.738 4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.223 2.723 5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.561 2.170 5.436 1.00 0.00 H new ATOM 1314 N ARG A 83 -10.615 -1.619 2.524 1.00 0.00 N ATOM 1315 CA ARG A 83 -11.129 -2.979 2.631 1.00 0.00 C ATOM 1316 C ARG A 83 -11.148 -3.662 1.266 1.00 0.00 C ATOM 1317 O ARG A 83 -10.760 -4.823 1.135 1.00 0.00 O ATOM 1318 CB ARG A 83 -12.538 -2.970 3.227 1.00 0.00 C ATOM 1319 CG ARG A 83 -12.556 -3.015 4.747 1.00 0.00 C ATOM 1320 CD ARG A 83 -13.821 -2.384 5.308 1.00 0.00 C ATOM 1321 NE ARG A 83 -14.112 -2.853 6.660 1.00 0.00 N ATOM 1322 CZ ARG A 83 -14.721 -4.003 6.924 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -15.100 -4.799 5.933 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -14.952 -4.361 8.181 1.00 0.00 N ATOM 0 H ARG A 83 -11.265 -0.897 2.834 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.466 -3.540 3.290 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.059 -2.073 2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.093 -3.825 2.840 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.485 -4.050 5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.683 -2.492 5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.713 -1.299 5.316 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.662 -2.616 4.655 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.832 -2.265 7.445 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.924 -4.528 4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.568 -5.682 6.138 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.662 -3.752 8.946 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.420 -5.245 8.382 1.00 0.00 H new ATOM 1338 N THR A 84 -11.601 -2.932 0.251 1.00 0.00 N ATOM 1339 CA THR A 84 -11.672 -3.467 -1.103 1.00 0.00 C ATOM 1340 C THR A 84 -10.337 -4.066 -1.528 1.00 0.00 C ATOM 1341 O THR A 84 -10.293 -5.094 -2.204 1.00 0.00 O ATOM 1342 CB THR A 84 -12.080 -2.380 -2.115 1.00 0.00 C ATOM 1343 OG1 THR A 84 -13.326 -1.791 -1.726 1.00 0.00 O ATOM 1344 CG2 THR A 84 -12.204 -2.964 -3.515 1.00 0.00 C ATOM 0 H THR A 84 -11.924 -1.969 0.341 1.00 0.00 H new ATOM 0 HA THR A 84 -12.431 -4.249 -1.095 1.00 0.00 H new ATOM 0 HB THR A 84 -11.305 -1.614 -2.125 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.577 -1.100 -2.374 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.493 -2.178 -4.213 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.246 -3.385 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.962 -3.747 -3.517 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.248 -3.418 -1.127 1.00 0.00 N ATOM 1353 CA PHE A 85 -7.910 -3.887 -1.467 1.00 0.00 C ATOM 1354 C PHE A 85 -7.565 -5.155 -0.693 1.00 0.00 C ATOM 1355 O PHE A 85 -7.163 -6.163 -1.276 1.00 0.00 O ATOM 1356 CB PHE A 85 -6.875 -2.799 -1.173 1.00 0.00 C ATOM 1357 CG PHE A 85 -5.488 -3.334 -0.958 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -5.065 -3.710 0.307 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -4.607 -3.460 -2.020 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -3.790 -4.202 0.509 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -3.331 -3.952 -1.824 1.00 0.00 C ATOM 1362 CZ PHE A 85 -2.921 -4.323 -0.558 1.00 0.00 C ATOM 0 H PHE A 85 -9.266 -2.566 -0.566 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.893 -4.117 -2.532 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.858 -2.091 -2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.184 -2.245 -0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.740 -3.617 1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.921 -3.170 -3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -3.473 -4.492 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.654 -4.047 -2.660 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.923 -4.707 -0.403 1.00 0.00 H new ATOM 1372 N LEU A 86 -7.725 -5.098 0.625 1.00 0.00 N ATOM 1373 CA LEU A 86 -7.430 -6.242 1.481 1.00 0.00 C ATOM 1374 C LEU A 86 -8.130 -7.498 0.972 1.00 0.00 C ATOM 1375 O LEU A 86 -7.637 -8.613 1.150 1.00 0.00 O ATOM 1376 CB LEU A 86 -7.862 -5.951 2.920 1.00 0.00 C ATOM 1377 CG LEU A 86 -7.214 -4.735 3.582 1.00 0.00 C ATOM 1378 CD1 LEU A 86 -8.016 -4.300 4.799 1.00 0.00 C ATOM 1379 CD2 LEU A 86 -5.776 -5.042 3.971 1.00 0.00 C ATOM 0 H LEU A 86 -8.057 -4.272 1.124 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.354 -6.414 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.943 -5.814 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.645 -6.829 3.528 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.207 -3.915 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.540 -3.433 5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.029 -4.038 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.055 -5.116 5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.331 -4.165 4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.759 -5.877 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.206 -5.305 3.080 1.00 0.00 H new ATOM 1391 N THR A 87 -9.282 -7.311 0.335 1.00 0.00 N ATOM 1392 CA THR A 87 -10.049 -8.428 -0.201 1.00 0.00 C ATOM 1393 C THR A 87 -9.319 -9.088 -1.365 1.00 0.00 C ATOM 1394 O THR A 87 -9.118 -10.302 -1.376 1.00 0.00 O ATOM 1395 CB THR A 87 -11.443 -7.976 -0.674 1.00 0.00 C ATOM 1396 OG1 THR A 87 -12.111 -7.267 0.375 1.00 0.00 O ATOM 1397 CG2 THR A 87 -12.283 -9.171 -1.100 1.00 0.00 C ATOM 0 H THR A 87 -9.704 -6.396 0.178 1.00 0.00 H new ATOM 0 HA THR A 87 -10.164 -9.150 0.608 1.00 0.00 H new ATOM 0 HB THR A 87 -11.315 -7.317 -1.532 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.645 -6.422 0.547 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.263 -8.827 -1.430 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.786 -9.692 -1.919 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.402 -9.851 -0.257 1.00 0.00 H new ATOM 1405 N ALA A 88 -8.923 -8.280 -2.344 1.00 0.00 N ATOM 1406 CA ALA A 88 -8.213 -8.786 -3.511 1.00 0.00 C ATOM 1407 C ALA A 88 -6.951 -9.539 -3.103 1.00 0.00 C ATOM 1408 O ALA A 88 -6.561 -10.512 -3.749 1.00 0.00 O ATOM 1409 CB ALA A 88 -7.866 -7.643 -4.454 1.00 0.00 C ATOM 0 H ALA A 88 -9.082 -7.273 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.869 -9.485 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.336 -8.035 -5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.782 -7.150 -4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.232 -6.924 -3.936 1.00 0.00 H new ATOM 1415 N CYS A 89 -6.317 -9.082 -2.029 1.00 0.00 N ATOM 1416 CA CYS A 89 -5.098 -9.712 -1.535 1.00 0.00 C ATOM 1417 C CYS A 89 -5.359 -11.158 -1.127 1.00 0.00 C ATOM 1418 O CYS A 89 -4.425 -11.933 -0.916 1.00 0.00 O ATOM 1419 CB CYS A 89 -4.539 -8.928 -0.347 1.00 0.00 C ATOM 1420 SG CYS A 89 -3.388 -7.611 -0.807 1.00 0.00 S ATOM 0 H CYS A 89 -6.627 -8.278 -1.484 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.365 -9.708 -2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.369 -8.493 0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.032 -9.620 0.325 1.00 0.00 H new ATOM 0 HG CYS A 89 -3.835 -6.471 -0.370 1.00 0.00 H new ATOM 1426 N CYS A 90 -6.634 -11.515 -1.018 1.00 0.00 N ATOM 1427 CA CYS A 90 -7.019 -12.868 -0.633 1.00 0.00 C ATOM 1428 C CYS A 90 -7.829 -13.538 -1.738 1.00 0.00 C ATOM 1429 O CYS A 90 -7.883 -14.764 -1.824 1.00 0.00 O ATOM 1430 CB CYS A 90 -7.828 -12.841 0.665 1.00 0.00 C ATOM 1431 SG CYS A 90 -6.893 -12.279 2.106 1.00 0.00 S ATOM 0 H CYS A 90 -7.418 -10.886 -1.191 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.109 -13.446 -0.473 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.691 -12.190 0.529 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.212 -13.842 0.862 1.00 0.00 H new ATOM 0 HG CYS A 90 -5.941 -13.126 2.363 1.00 0.00 H new ATOM 1437 N GLU A 91 -8.460 -12.724 -2.579 1.00 0.00 N ATOM 1438 CA GLU A 91 -9.269 -13.239 -3.677 1.00 0.00 C ATOM 1439 C GLU A 91 -8.449 -13.335 -4.960 1.00 0.00 C ATOM 1440 O GLU A 91 -8.351 -14.400 -5.570 1.00 0.00 O ATOM 1441 CB GLU A 91 -10.489 -12.343 -3.904 1.00 0.00 C ATOM 1442 CG GLU A 91 -11.427 -12.277 -2.711 1.00 0.00 C ATOM 1443 CD GLU A 91 -12.483 -13.365 -2.739 1.00 0.00 C ATOM 1444 OE1 GLU A 91 -12.139 -14.532 -2.457 1.00 0.00 O ATOM 1445 OE2 GLU A 91 -13.653 -13.050 -3.042 1.00 0.00 O ATOM 0 H GLU A 91 -8.426 -11.706 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.606 -14.240 -3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.149 -11.336 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.041 -12.708 -4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.847 -12.362 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.915 -11.303 -2.691 1.00 0.00 H new ATOM 1452 N THR A 92 -7.861 -12.213 -5.364 1.00 0.00 N ATOM 1453 CA THR A 92 -7.050 -12.169 -6.575 1.00 0.00 C ATOM 1454 C THR A 92 -5.783 -13.001 -6.418 1.00 0.00 C ATOM 1455 O THR A 92 -5.554 -13.949 -7.169 1.00 0.00 O ATOM 1456 CB THR A 92 -6.660 -10.724 -6.938 1.00 0.00 C ATOM 1457 OG1 THR A 92 -7.838 -9.932 -7.130 1.00 0.00 O ATOM 1458 CG2 THR A 92 -5.811 -10.693 -8.199 1.00 0.00 C ATOM 0 H THR A 92 -7.931 -11.323 -4.871 1.00 0.00 H new ATOM 0 HA THR A 92 -7.658 -12.586 -7.378 1.00 0.00 H new ATOM 0 HB THR A 92 -6.075 -10.312 -6.116 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.202 -10.098 -8.025 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.548 -9.662 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 92 -4.901 -11.272 -8.040 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.374 -11.123 -9.027 1.00 0.00 H new ATOM 1466 N PHE A 93 -4.961 -12.641 -5.438 1.00 0.00 N ATOM 1467 CA PHE A 93 -3.715 -13.355 -5.183 1.00 0.00 C ATOM 1468 C PHE A 93 -3.956 -14.566 -4.287 1.00 0.00 C ATOM 1469 O PHE A 93 -3.722 -15.705 -4.689 1.00 0.00 O ATOM 1470 CB PHE A 93 -2.692 -12.421 -4.533 1.00 0.00 C ATOM 1471 CG PHE A 93 -2.225 -11.319 -5.440 1.00 0.00 C ATOM 1472 CD1 PHE A 93 -3.057 -10.252 -5.741 1.00 0.00 C ATOM 1473 CD2 PHE A 93 -0.955 -11.350 -5.993 1.00 0.00 C ATOM 1474 CE1 PHE A 93 -2.630 -9.236 -6.576 1.00 0.00 C ATOM 1475 CE2 PHE A 93 -0.522 -10.336 -6.827 1.00 0.00 C ATOM 1476 CZ PHE A 93 -1.362 -9.279 -7.120 1.00 0.00 C ATOM 0 H PHE A 93 -5.135 -11.859 -4.807 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.323 -13.704 -6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.131 -11.982 -3.637 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.830 -13.006 -4.212 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.050 -10.214 -5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.296 -12.176 -5.770 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.288 -8.410 -6.802 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.472 -10.370 -7.249 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.027 -8.487 -7.774 1.00 0.00 H new ATOM 1486 N GLY A 94 -4.425 -14.311 -3.069 1.00 0.00 N ATOM 1487 CA GLY A 94 -4.690 -15.389 -2.135 1.00 0.00 C ATOM 1488 C GLY A 94 -3.649 -15.472 -1.036 1.00 0.00 C ATOM 1489 O GLY A 94 -2.891 -16.439 -0.962 1.00 0.00 O ATOM 0 H GLY A 94 -4.626 -13.377 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.674 -15.246 -1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.720 -16.335 -2.676 1.00 0.00 H new ATOM 1493 N MET A 95 -3.609 -14.455 -0.182 1.00 0.00 N ATOM 1494 CA MET A 95 -2.653 -14.417 0.918 1.00 0.00 C ATOM 1495 C MET A 95 -3.346 -14.676 2.251 1.00 0.00 C ATOM 1496 O MET A 95 -4.565 -14.842 2.305 1.00 0.00 O ATOM 1497 CB MET A 95 -1.939 -13.065 0.955 1.00 0.00 C ATOM 1498 CG MET A 95 -0.790 -12.956 -0.035 1.00 0.00 C ATOM 1499 SD MET A 95 -0.346 -11.247 -0.398 1.00 0.00 S ATOM 1500 CE MET A 95 0.160 -10.677 1.223 1.00 0.00 C ATOM 0 H MET A 95 -4.228 -13.646 -0.231 1.00 0.00 H new ATOM 0 HA MET A 95 -1.917 -15.204 0.753 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.662 -12.276 0.748 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.558 -12.892 1.962 1.00 0.00 H new ATOM 0 HG2 MET A 95 0.080 -13.476 0.366 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.065 -13.461 -0.961 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.597 -9.682 1.139 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.707 -10.638 1.882 1.00 0.00 H new ATOM 0 HE3 MET A 95 0.899 -11.364 1.636 1.00 0.00 H new ATOM 1510 N ARG A 96 -2.563 -14.710 3.324 1.00 0.00 N ATOM 1511 CA ARG A 96 -3.103 -14.950 4.657 1.00 0.00 C ATOM 1512 C ARG A 96 -3.759 -13.690 5.214 1.00 0.00 C ATOM 1513 O ARG A 96 -3.095 -12.676 5.431 1.00 0.00 O ATOM 1514 CB ARG A 96 -1.996 -15.422 5.601 1.00 0.00 C ATOM 1515 CG ARG A 96 -1.624 -16.884 5.422 1.00 0.00 C ATOM 1516 CD ARG A 96 -2.670 -17.804 6.033 1.00 0.00 C ATOM 1517 NE ARG A 96 -2.482 -19.193 5.625 1.00 0.00 N ATOM 1518 CZ ARG A 96 -3.459 -20.093 5.612 1.00 0.00 C ATOM 1519 NH1 ARG A 96 -4.686 -19.751 5.982 1.00 0.00 N ATOM 1520 NH2 ARG A 96 -3.210 -21.339 5.228 1.00 0.00 N ATOM 0 H ARG A 96 -1.552 -14.574 3.296 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.862 -15.729 4.579 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -1.109 -14.808 5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.315 -15.261 6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -1.518 -17.106 4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.656 -17.074 5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.622 -17.736 7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.664 -17.470 5.736 1.00 0.00 H new ATOM 0 HE ARG A 96 -1.550 -19.488 5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.882 -18.795 6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.434 -20.444 5.971 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.268 -21.606 4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.961 -22.029 5.218 1.00 0.00 H new ATOM 1534 N LYS A 97 -5.066 -13.760 5.441 1.00 0.00 N ATOM 1535 CA LYS A 97 -5.813 -12.627 5.973 1.00 0.00 C ATOM 1536 C LYS A 97 -5.237 -12.176 7.312 1.00 0.00 C ATOM 1537 O LYS A 97 -5.279 -10.993 7.649 1.00 0.00 O ATOM 1538 CB LYS A 97 -7.289 -12.994 6.138 1.00 0.00 C ATOM 1539 CG LYS A 97 -8.218 -11.793 6.141 1.00 0.00 C ATOM 1540 CD LYS A 97 -9.635 -12.183 5.753 1.00 0.00 C ATOM 1541 CE LYS A 97 -9.835 -12.127 4.246 1.00 0.00 C ATOM 1542 NZ LYS A 97 -11.278 -12.087 3.880 1.00 0.00 N ATOM 0 H LYS A 97 -5.631 -14.591 5.264 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.728 -11.803 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.580 -13.666 5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.416 -13.543 7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.223 -11.338 7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.844 -11.041 5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.848 -13.190 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.344 -11.514 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.334 -11.246 3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.367 -12.997 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.373 -12.049 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.751 -12.940 4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.719 -11.243 4.299 1.00 0.00 H new ATOM 1556 N SER A 98 -4.699 -13.126 8.070 1.00 0.00 N ATOM 1557 CA SER A 98 -4.118 -12.826 9.373 1.00 0.00 C ATOM 1558 C SER A 98 -2.866 -11.967 9.224 1.00 0.00 C ATOM 1559 O SER A 98 -2.419 -11.333 10.179 1.00 0.00 O ATOM 1560 CB SER A 98 -3.776 -14.121 10.112 1.00 0.00 C ATOM 1561 OG SER A 98 -4.948 -14.851 10.430 1.00 0.00 O ATOM 0 H SER A 98 -4.653 -14.110 7.804 1.00 0.00 H new ATOM 0 HA SER A 98 -4.854 -12.268 9.952 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.119 -14.733 9.494 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.229 -13.888 11.026 1.00 0.00 H new ATOM 0 HG SER A 98 -4.703 -15.675 10.900 1.00 0.00 H new ATOM 1567 N GLU A 99 -2.306 -11.952 8.019 1.00 0.00 N ATOM 1568 CA GLU A 99 -1.105 -11.171 7.745 1.00 0.00 C ATOM 1569 C GLU A 99 -1.464 -9.746 7.335 1.00 0.00 C ATOM 1570 O GLU A 99 -0.774 -8.791 7.696 1.00 0.00 O ATOM 1571 CB GLU A 99 -0.277 -11.837 6.643 1.00 0.00 C ATOM 1572 CG GLU A 99 0.192 -13.238 6.996 1.00 0.00 C ATOM 1573 CD GLU A 99 1.075 -13.263 8.229 1.00 0.00 C ATOM 1574 OE1 GLU A 99 2.217 -12.765 8.152 1.00 0.00 O ATOM 1575 OE2 GLU A 99 0.623 -13.783 9.271 1.00 0.00 O ATOM 0 H GLU A 99 -2.664 -12.471 7.217 1.00 0.00 H new ATOM 0 HA GLU A 99 -0.514 -11.129 8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.871 -11.881 5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.592 -11.216 6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.676 -13.877 7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.740 -13.657 6.152 1.00 0.00 H new ATOM 1582 N LEU A 100 -2.548 -9.609 6.580 1.00 0.00 N ATOM 1583 CA LEU A 100 -3.000 -8.300 6.120 1.00 0.00 C ATOM 1584 C LEU A 100 -3.116 -7.324 7.286 1.00 0.00 C ATOM 1585 O LEU A 100 -3.233 -7.732 8.442 1.00 0.00 O ATOM 1586 CB LEU A 100 -4.348 -8.426 5.409 1.00 0.00 C ATOM 1587 CG LEU A 100 -4.431 -9.485 4.309 1.00 0.00 C ATOM 1588 CD1 LEU A 100 -5.821 -9.506 3.691 1.00 0.00 C ATOM 1589 CD2 LEU A 100 -3.375 -9.231 3.243 1.00 0.00 C ATOM 0 H LEU A 100 -3.131 -10.388 6.273 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.261 -7.913 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.111 -8.646 6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.598 -7.459 4.974 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.240 -10.461 4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.861 -10.266 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.558 -9.737 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.042 -8.530 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.449 -9.994 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.534 -8.248 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.384 -9.269 3.696 1.00 0.00 H new ATOM 1601 N PHE A 101 -3.087 -6.032 6.975 1.00 0.00 N ATOM 1602 CA PHE A 101 -3.190 -4.997 7.996 1.00 0.00 C ATOM 1603 C PHE A 101 -4.644 -4.585 8.208 1.00 0.00 C ATOM 1604 O PHE A 101 -5.494 -4.809 7.347 1.00 0.00 O ATOM 1605 CB PHE A 101 -2.354 -3.777 7.603 1.00 0.00 C ATOM 1606 CG PHE A 101 -2.759 -3.172 6.289 1.00 0.00 C ATOM 1607 CD1 PHE A 101 -2.331 -3.727 5.094 1.00 0.00 C ATOM 1608 CD2 PHE A 101 -3.568 -2.048 6.249 1.00 0.00 C ATOM 1609 CE1 PHE A 101 -2.702 -3.171 3.884 1.00 0.00 C ATOM 1610 CE2 PHE A 101 -3.942 -1.488 5.042 1.00 0.00 C ATOM 1611 CZ PHE A 101 -3.509 -2.051 3.858 1.00 0.00 C ATOM 0 H PHE A 101 -2.993 -5.677 6.023 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.806 -5.405 8.931 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.439 -3.021 8.384 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.304 -4.066 7.553 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.701 -4.604 5.108 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.911 -1.604 7.172 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.361 -3.613 2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.572 -0.611 5.025 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.801 -1.616 2.913 1.00 0.00 H new ATOM 1621 N GLU A 102 -4.920 -3.981 9.360 1.00 0.00 N ATOM 1622 CA GLU A 102 -6.271 -3.539 9.685 1.00 0.00 C ATOM 1623 C GLU A 102 -6.716 -2.418 8.750 1.00 0.00 C ATOM 1624 O GLU A 102 -5.981 -2.019 7.847 1.00 0.00 O ATOM 1625 CB GLU A 102 -6.340 -3.065 11.138 1.00 0.00 C ATOM 1626 CG GLU A 102 -5.945 -4.131 12.146 1.00 0.00 C ATOM 1627 CD GLU A 102 -6.937 -5.276 12.204 1.00 0.00 C ATOM 1628 OE1 GLU A 102 -8.155 -5.009 12.125 1.00 0.00 O ATOM 1629 OE2 GLU A 102 -6.497 -6.437 12.330 1.00 0.00 O ATOM 0 H GLU A 102 -4.227 -3.787 10.083 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.945 -4.386 9.555 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.687 -2.201 11.261 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.355 -2.731 11.354 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.960 -4.521 11.889 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.861 -3.678 13.134 1.00 0.00 H new ATOM 1636 N ALA A 103 -7.925 -1.914 8.975 1.00 0.00 N ATOM 1637 CA ALA A 103 -8.469 -0.838 8.155 1.00 0.00 C ATOM 1638 C ALA A 103 -8.207 0.523 8.791 1.00 0.00 C ATOM 1639 O ALA A 103 -7.911 1.497 8.099 1.00 0.00 O ATOM 1640 CB ALA A 103 -9.960 -1.043 7.936 1.00 0.00 C ATOM 0 H ALA A 103 -8.546 -2.233 9.718 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.965 -0.861 7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.352 -0.232 7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.126 -1.994 7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.472 -1.050 8.898 1.00 0.00 H new ATOM 1646 N PHE A 104 -8.320 0.584 10.114 1.00 0.00 N ATOM 1647 CA PHE A 104 -8.098 1.826 10.844 1.00 0.00 C ATOM 1648 C PHE A 104 -6.610 2.156 10.916 1.00 0.00 C ATOM 1649 O PHE A 104 -6.203 3.295 10.685 1.00 0.00 O ATOM 1650 CB PHE A 104 -8.677 1.723 12.256 1.00 0.00 C ATOM 1651 CG PHE A 104 -9.043 3.053 12.852 1.00 0.00 C ATOM 1652 CD1 PHE A 104 -10.181 3.725 12.434 1.00 0.00 C ATOM 1653 CD2 PHE A 104 -8.250 3.630 13.830 1.00 0.00 C ATOM 1654 CE1 PHE A 104 -10.521 4.948 12.981 1.00 0.00 C ATOM 1655 CE2 PHE A 104 -8.585 4.853 14.381 1.00 0.00 C ATOM 1656 CZ PHE A 104 -9.721 5.513 13.955 1.00 0.00 C ATOM 0 H PHE A 104 -8.564 -0.213 10.702 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.605 2.628 10.308 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -9.563 1.089 12.231 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.951 1.231 12.903 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -10.809 3.288 11.672 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.360 3.119 14.166 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.411 5.461 12.647 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -7.959 5.292 15.144 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.983 6.469 14.383 1.00 0.00 H new ATOM 1666 N ASP A 105 -5.802 1.152 11.238 1.00 0.00 N ATOM 1667 CA ASP A 105 -4.359 1.333 11.340 1.00 0.00 C ATOM 1668 C ASP A 105 -3.854 2.292 10.266 1.00 0.00 C ATOM 1669 O ASP A 105 -3.005 3.144 10.528 1.00 0.00 O ATOM 1670 CB ASP A 105 -3.644 -0.013 11.216 1.00 0.00 C ATOM 1671 CG ASP A 105 -3.512 -0.468 9.777 1.00 0.00 C ATOM 1672 OD1 ASP A 105 -4.518 -0.406 9.040 1.00 0.00 O ATOM 1673 OD2 ASP A 105 -2.402 -0.886 9.386 1.00 0.00 O ATOM 0 H ASP A 105 -6.122 0.203 11.433 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.140 1.763 12.318 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.652 0.063 11.662 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.192 -0.766 11.783 1.00 0.00 H new ATOM 1678 N LEU A 106 -4.382 2.146 9.055 1.00 0.00 N ATOM 1679 CA LEU A 106 -3.985 2.998 7.940 1.00 0.00 C ATOM 1680 C LEU A 106 -4.767 4.308 7.950 1.00 0.00 C ATOM 1681 O LEU A 106 -4.184 5.391 7.898 1.00 0.00 O ATOM 1682 CB LEU A 106 -4.205 2.270 6.613 1.00 0.00 C ATOM 1683 CG LEU A 106 -3.930 3.083 5.347 1.00 0.00 C ATOM 1684 CD1 LEU A 106 -2.458 3.453 5.260 1.00 0.00 C ATOM 1685 CD2 LEU A 106 -4.361 2.308 4.111 1.00 0.00 C ATOM 0 H LEU A 106 -5.086 1.446 8.821 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.925 3.228 8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.569 1.385 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.237 1.921 6.580 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.513 4.003 5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.281 4.031 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.181 4.049 6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.855 2.545 5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.158 2.902 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.806 1.371 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.428 2.095 4.169 1.00 0.00 H new ATOM 1697 N PHE A 107 -6.090 4.201 8.020 1.00 0.00 N ATOM 1698 CA PHE A 107 -6.952 5.377 8.038 1.00 0.00 C ATOM 1699 C PHE A 107 -6.432 6.417 9.027 1.00 0.00 C ATOM 1700 O PHE A 107 -6.150 7.556 8.655 1.00 0.00 O ATOM 1701 CB PHE A 107 -8.384 4.980 8.404 1.00 0.00 C ATOM 1702 CG PHE A 107 -9.391 6.063 8.142 1.00 0.00 C ATOM 1703 CD1 PHE A 107 -9.544 6.593 6.871 1.00 0.00 C ATOM 1704 CD2 PHE A 107 -10.186 6.550 9.166 1.00 0.00 C ATOM 1705 CE1 PHE A 107 -10.470 7.590 6.627 1.00 0.00 C ATOM 1706 CE2 PHE A 107 -11.114 7.547 8.929 1.00 0.00 C ATOM 1707 CZ PHE A 107 -11.257 8.066 7.657 1.00 0.00 C ATOM 0 H PHE A 107 -6.588 3.312 8.065 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.948 5.816 7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -8.662 4.091 7.838 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -8.419 4.709 9.459 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.933 6.223 6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -10.080 6.146 10.162 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.578 7.996 5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -11.726 7.919 9.737 1.00 0.00 H new ATOM 0 HZ PHE A 107 -11.983 8.843 7.468 1.00 0.00 H new ATOM 1717 N ASP A 108 -6.310 6.016 10.287 1.00 0.00 N ATOM 1718 CA ASP A 108 -5.824 6.912 11.330 1.00 0.00 C ATOM 1719 C ASP A 108 -4.299 6.916 11.377 1.00 0.00 C ATOM 1720 O ASP A 108 -3.699 7.328 12.369 1.00 0.00 O ATOM 1721 CB ASP A 108 -6.387 6.498 12.691 1.00 0.00 C ATOM 1722 CG ASP A 108 -7.760 7.085 12.952 1.00 0.00 C ATOM 1723 OD1 ASP A 108 -8.601 7.061 12.029 1.00 0.00 O ATOM 1724 OD2 ASP A 108 -7.995 7.569 14.079 1.00 0.00 O ATOM 0 H ASP A 108 -6.541 5.077 10.611 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.165 7.920 11.095 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.444 5.411 12.742 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.703 6.818 13.477 1.00 0.00 H new ATOM 1729 N VAL A 109 -3.678 6.453 10.297 1.00 0.00 N ATOM 1730 CA VAL A 109 -2.223 6.403 10.214 1.00 0.00 C ATOM 1731 C VAL A 109 -1.607 6.075 11.569 1.00 0.00 C ATOM 1732 O VAL A 109 -0.593 6.655 11.958 1.00 0.00 O ATOM 1733 CB VAL A 109 -1.644 7.737 9.708 1.00 0.00 C ATOM 1734 CG1 VAL A 109 -0.207 7.553 9.244 1.00 0.00 C ATOM 1735 CG2 VAL A 109 -2.506 8.301 8.588 1.00 0.00 C ATOM 0 H VAL A 109 -4.160 6.107 9.467 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.973 5.615 9.504 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.646 8.450 10.532 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.186 8.506 8.890 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.401 7.196 10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.177 6.824 8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.082 9.244 8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.537 7.592 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.517 8.472 8.958 1.00 0.00 H new ATOM 1745 N ARG A 110 -2.225 5.141 12.284 1.00 0.00 N ATOM 1746 CA ARG A 110 -1.738 4.736 13.597 1.00 0.00 C ATOM 1747 C ARG A 110 -0.421 3.974 13.477 1.00 0.00 C ATOM 1748 O ARG A 110 0.631 4.465 13.886 1.00 0.00 O ATOM 1749 CB ARG A 110 -2.779 3.868 14.306 1.00 0.00 C ATOM 1750 CG ARG A 110 -4.187 4.435 14.246 1.00 0.00 C ATOM 1751 CD ARG A 110 -4.464 5.364 15.418 1.00 0.00 C ATOM 1752 NE ARG A 110 -4.096 6.746 15.120 1.00 0.00 N ATOM 1753 CZ ARG A 110 -4.522 7.788 15.825 1.00 0.00 C ATOM 1754 NH1 ARG A 110 -5.326 7.606 16.863 1.00 0.00 N ATOM 1755 NH2 ARG A 110 -4.144 9.015 15.491 1.00 0.00 N ATOM 0 H ARG A 110 -3.064 4.650 11.976 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.565 5.637 14.186 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.777 2.874 13.858 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.489 3.747 15.350 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.322 4.978 13.310 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.909 3.619 14.249 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.522 5.318 15.675 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.909 5.021 16.291 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.478 6.920 14.327 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.619 6.664 17.122 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.652 8.408 17.403 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.526 9.159 14.692 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.471 9.815 16.033 1.00 0.00 H new ATOM 1769 N ASP A 111 -0.488 2.773 12.914 1.00 0.00 N ATOM 1770 CA ASP A 111 0.698 1.943 12.739 1.00 0.00 C ATOM 1771 C ASP A 111 0.945 1.651 11.262 1.00 0.00 C ATOM 1772 O ASP A 111 0.528 0.614 10.745 1.00 0.00 O ATOM 1773 CB ASP A 111 0.549 0.632 13.512 1.00 0.00 C ATOM 1774 CG ASP A 111 1.881 0.080 13.979 1.00 0.00 C ATOM 1775 OD1 ASP A 111 2.892 0.295 13.277 1.00 0.00 O ATOM 1776 OD2 ASP A 111 1.914 -0.566 15.047 1.00 0.00 O ATOM 0 H ASP A 111 -1.351 2.352 12.571 1.00 0.00 H new ATOM 0 HA ASP A 111 1.555 2.491 13.131 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.096 0.794 14.375 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.055 -0.105 12.879 1.00 0.00 H new ATOM 1781 N PHE A 112 1.623 2.573 10.587 1.00 0.00 N ATOM 1782 CA PHE A 112 1.923 2.416 9.168 1.00 0.00 C ATOM 1783 C PHE A 112 2.858 1.233 8.938 1.00 0.00 C ATOM 1784 O PHE A 112 2.730 0.508 7.953 1.00 0.00 O ATOM 1785 CB PHE A 112 2.553 3.695 8.614 1.00 0.00 C ATOM 1786 CG PHE A 112 2.734 3.677 7.123 1.00 0.00 C ATOM 1787 CD1 PHE A 112 1.670 3.378 6.286 1.00 0.00 C ATOM 1788 CD2 PHE A 112 3.967 3.958 6.557 1.00 0.00 C ATOM 1789 CE1 PHE A 112 1.834 3.360 4.914 1.00 0.00 C ATOM 1790 CE2 PHE A 112 4.137 3.942 5.186 1.00 0.00 C ATOM 1791 CZ PHE A 112 3.068 3.643 4.363 1.00 0.00 C ATOM 0 H PHE A 112 1.975 3.437 10.999 1.00 0.00 H new ATOM 0 HA PHE A 112 0.987 2.224 8.643 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.928 4.546 8.886 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.523 3.848 9.088 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.702 3.157 6.711 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.806 4.193 7.196 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.997 3.125 4.273 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.104 4.163 4.758 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.197 3.631 3.291 1.00 0.00 H new ATOM 1801 N GLY A 113 3.802 1.045 9.856 1.00 0.00 N ATOM 1802 CA GLY A 113 4.747 -0.050 9.735 1.00 0.00 C ATOM 1803 C GLY A 113 4.068 -1.369 9.420 1.00 0.00 C ATOM 1804 O GLY A 113 4.580 -2.167 8.635 1.00 0.00 O ATOM 0 H GLY A 113 3.929 1.631 10.681 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.468 0.181 8.950 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.308 -0.146 10.665 1.00 0.00 H new ATOM 1808 N LYS A 114 2.913 -1.600 10.034 1.00 0.00 N ATOM 1809 CA LYS A 114 2.163 -2.831 9.816 1.00 0.00 C ATOM 1810 C LYS A 114 1.746 -2.962 8.355 1.00 0.00 C ATOM 1811 O LYS A 114 1.718 -4.062 7.804 1.00 0.00 O ATOM 1812 CB LYS A 114 0.925 -2.864 10.716 1.00 0.00 C ATOM 1813 CG LYS A 114 1.196 -3.418 12.104 1.00 0.00 C ATOM 1814 CD LYS A 114 -0.021 -3.290 13.004 1.00 0.00 C ATOM 1815 CE LYS A 114 0.148 -4.086 14.288 1.00 0.00 C ATOM 1816 NZ LYS A 114 -0.210 -5.520 14.103 1.00 0.00 N ATOM 0 H LYS A 114 2.475 -0.950 10.687 1.00 0.00 H new ATOM 0 HA LYS A 114 2.810 -3.671 10.068 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.527 -1.854 10.809 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.154 -3.468 10.237 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.485 -4.466 12.028 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.037 -2.887 12.550 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.187 -2.240 13.245 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.906 -3.639 12.472 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.181 -4.011 14.629 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.478 -3.653 15.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.081 -6.029 15.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.203 -5.594 13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.404 -5.940 13.376 1.00 0.00 H new ATOM 1830 N VAL A 115 1.424 -1.833 7.732 1.00 0.00 N ATOM 1831 CA VAL A 115 1.011 -1.822 6.334 1.00 0.00 C ATOM 1832 C VAL A 115 2.194 -2.088 5.410 1.00 0.00 C ATOM 1833 O VAL A 115 2.066 -2.795 4.410 1.00 0.00 O ATOM 1834 CB VAL A 115 0.366 -0.477 5.950 1.00 0.00 C ATOM 1835 CG1 VAL A 115 -0.177 -0.531 4.530 1.00 0.00 C ATOM 1836 CG2 VAL A 115 -0.733 -0.112 6.936 1.00 0.00 C ATOM 0 H VAL A 115 1.441 -0.914 8.174 1.00 0.00 H new ATOM 0 HA VAL A 115 0.275 -2.617 6.215 1.00 0.00 H new ATOM 0 HB VAL A 115 1.132 0.298 5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.629 0.428 4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.637 -0.743 3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.929 -1.317 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.177 0.841 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.500 -0.887 6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.310 -0.028 7.937 1.00 0.00 H new ATOM 1846 N ILE A 116 3.344 -1.518 5.751 1.00 0.00 N ATOM 1847 CA ILE A 116 4.551 -1.695 4.952 1.00 0.00 C ATOM 1848 C ILE A 116 4.915 -3.171 4.827 1.00 0.00 C ATOM 1849 O ILE A 116 5.132 -3.675 3.726 1.00 0.00 O ATOM 1850 CB ILE A 116 5.744 -0.933 5.558 1.00 0.00 C ATOM 1851 CG1 ILE A 116 5.382 0.538 5.772 1.00 0.00 C ATOM 1852 CG2 ILE A 116 6.965 -1.059 4.659 1.00 0.00 C ATOM 1853 CD1 ILE A 116 6.508 1.358 6.362 1.00 0.00 C ATOM 0 H ILE A 116 3.466 -0.929 6.575 1.00 0.00 H new ATOM 0 HA ILE A 116 4.337 -1.290 3.963 1.00 0.00 H new ATOM 0 HB ILE A 116 5.983 -1.373 6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.088 0.974 4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.516 0.598 6.431 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.800 -0.515 5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.232 -2.110 4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.739 -0.642 3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 116 6.180 2.390 6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.788 0.947 7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.369 1.328 5.694 1.00 0.00 H new ATOM 1865 N GLU A 117 4.979 -3.857 5.964 1.00 0.00 N ATOM 1866 CA GLU A 117 5.316 -5.276 5.980 1.00 0.00 C ATOM 1867 C GLU A 117 4.359 -6.073 5.098 1.00 0.00 C ATOM 1868 O GLU A 117 4.771 -6.983 4.378 1.00 0.00 O ATOM 1869 CB GLU A 117 5.277 -5.816 7.411 1.00 0.00 C ATOM 1870 CG GLU A 117 6.169 -7.027 7.630 1.00 0.00 C ATOM 1871 CD GLU A 117 7.562 -6.835 7.062 1.00 0.00 C ATOM 1872 OE1 GLU A 117 8.131 -5.738 7.242 1.00 0.00 O ATOM 1873 OE2 GLU A 117 8.083 -7.784 6.439 1.00 0.00 O ATOM 0 H GLU A 117 4.802 -3.454 6.884 1.00 0.00 H new ATOM 0 HA GLU A 117 6.325 -5.388 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.578 -5.025 8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 117 4.250 -6.082 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 117 6.241 -7.232 8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.709 -7.901 7.168 1.00 0.00 H new ATOM 1880 N THR A 118 3.078 -5.724 5.160 1.00 0.00 N ATOM 1881 CA THR A 118 2.061 -6.407 4.370 1.00 0.00 C ATOM 1882 C THR A 118 2.518 -6.592 2.928 1.00 0.00 C ATOM 1883 O THR A 118 2.242 -7.619 2.305 1.00 0.00 O ATOM 1884 CB THR A 118 0.729 -5.633 4.379 1.00 0.00 C ATOM 1885 OG1 THR A 118 0.328 -5.365 5.727 1.00 0.00 O ATOM 1886 CG2 THR A 118 -0.360 -6.422 3.667 1.00 0.00 C ATOM 0 H THR A 118 2.720 -4.972 5.749 1.00 0.00 H new ATOM 0 HA THR A 118 1.908 -7.384 4.828 1.00 0.00 H new ATOM 0 HB THR A 118 0.877 -4.691 3.851 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.974 -4.759 6.146 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.291 -5.856 3.686 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.064 -6.599 2.633 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.506 -7.377 4.171 1.00 0.00 H new ATOM 1894 N LEU A 119 3.220 -5.594 2.402 1.00 0.00 N ATOM 1895 CA LEU A 119 3.717 -5.648 1.031 1.00 0.00 C ATOM 1896 C LEU A 119 4.899 -6.605 0.918 1.00 0.00 C ATOM 1897 O LEU A 119 4.943 -7.450 0.023 1.00 0.00 O ATOM 1898 CB LEU A 119 4.130 -4.251 0.563 1.00 0.00 C ATOM 1899 CG LEU A 119 3.098 -3.142 0.766 1.00 0.00 C ATOM 1900 CD1 LEU A 119 3.683 -1.791 0.385 1.00 0.00 C ATOM 1901 CD2 LEU A 119 1.841 -3.429 -0.043 1.00 0.00 C ATOM 0 H LEU A 119 3.458 -4.738 2.903 1.00 0.00 H new ATOM 0 HA LEU A 119 2.914 -6.016 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 119 5.044 -3.970 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.374 -4.303 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 119 2.828 -3.112 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.933 -1.014 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.553 -1.582 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.983 -1.807 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 119 1.117 -2.629 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.095 -3.487 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.410 -4.377 0.279 1.00 0.00 H new ATOM 1913 N SER A 120 5.854 -6.469 1.831 1.00 0.00 N ATOM 1914 CA SER A 120 7.038 -7.321 1.833 1.00 0.00 C ATOM 1915 C SER A 120 6.691 -8.733 1.372 1.00 0.00 C ATOM 1916 O SER A 120 7.391 -9.317 0.544 1.00 0.00 O ATOM 1917 CB SER A 120 7.658 -7.366 3.231 1.00 0.00 C ATOM 1918 OG SER A 120 8.962 -7.919 3.193 1.00 0.00 O ATOM 0 H SER A 120 5.832 -5.777 2.580 1.00 0.00 H new ATOM 0 HA SER A 120 7.762 -6.897 1.137 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.699 -6.359 3.647 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.027 -7.959 3.893 1.00 0.00 H new ATOM 0 HG SER A 120 9.337 -7.935 4.098 1.00 0.00 H new ATOM 1924 N ARG A 121 5.606 -9.276 1.914 1.00 0.00 N ATOM 1925 CA ARG A 121 5.166 -10.620 1.559 1.00 0.00 C ATOM 1926 C ARG A 121 4.570 -10.645 0.155 1.00 0.00 C ATOM 1927 O ARG A 121 5.055 -11.357 -0.725 1.00 0.00 O ATOM 1928 CB ARG A 121 4.137 -11.126 2.571 1.00 0.00 C ATOM 1929 CG ARG A 121 4.628 -11.092 4.009 1.00 0.00 C ATOM 1930 CD ARG A 121 3.495 -11.344 4.991 1.00 0.00 C ATOM 1931 NE ARG A 121 3.980 -11.493 6.361 1.00 0.00 N ATOM 1932 CZ ARG A 121 4.676 -12.542 6.784 1.00 0.00 C ATOM 1933 NH1 ARG A 121 4.967 -13.529 5.948 1.00 0.00 N ATOM 1934 NH2 ARG A 121 5.083 -12.605 8.045 1.00 0.00 N ATOM 0 H ARG A 121 5.016 -8.806 2.600 1.00 0.00 H new ATOM 0 HA ARG A 121 6.036 -11.276 1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.233 -10.522 2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.861 -12.149 2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 121 5.405 -11.844 4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 121 5.082 -10.123 4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.786 -10.518 4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.955 -12.244 4.698 1.00 0.00 H new ATOM 0 HE ARG A 121 3.773 -10.751 7.029 1.00 0.00 H new ATOM 0 HH11 ARG A 121 4.656 -13.484 4.978 1.00 0.00 H new ATOM 0 HH12 ARG A 121 5.502 -14.334 6.275 1.00 0.00 H new ATOM 0 HH21 ARG A 121 4.861 -11.847 8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 121 5.617 -13.411 8.369 1.00 0.00 H new ATOM 1948 N LEU A 122 3.515 -9.863 -0.048 1.00 0.00 N ATOM 1949 CA LEU A 122 2.852 -9.795 -1.345 1.00 0.00 C ATOM 1950 C LEU A 122 3.873 -9.757 -2.478 1.00 0.00 C ATOM 1951 O LEU A 122 3.578 -10.151 -3.606 1.00 0.00 O ATOM 1952 CB LEU A 122 1.950 -8.561 -1.415 1.00 0.00 C ATOM 1953 CG LEU A 122 1.738 -7.962 -2.805 1.00 0.00 C ATOM 1954 CD1 LEU A 122 0.764 -8.810 -3.609 1.00 0.00 C ATOM 1955 CD2 LEU A 122 1.238 -6.529 -2.698 1.00 0.00 C ATOM 0 H LEU A 122 3.101 -9.267 0.669 1.00 0.00 H new ATOM 0 HA LEU A 122 2.242 -10.691 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.976 -8.824 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.372 -7.790 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 122 2.696 -7.953 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.625 -8.368 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.162 -9.819 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.195 -8.852 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.093 -6.119 -3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.291 -6.513 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.971 -5.927 -2.162 1.00 0.00 H new ATOM 1967 N SER A 123 5.075 -9.282 -2.168 1.00 0.00 N ATOM 1968 CA SER A 123 6.140 -9.192 -3.160 1.00 0.00 C ATOM 1969 C SER A 123 6.803 -10.549 -3.370 1.00 0.00 C ATOM 1970 O SER A 123 7.891 -10.639 -3.940 1.00 0.00 O ATOM 1971 CB SER A 123 7.184 -8.162 -2.726 1.00 0.00 C ATOM 1972 OG SER A 123 8.198 -8.765 -1.940 1.00 0.00 O ATOM 0 H SER A 123 5.336 -8.954 -1.238 1.00 0.00 H new ATOM 0 HA SER A 123 5.698 -8.874 -4.104 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.629 -7.698 -3.606 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.701 -7.368 -2.156 1.00 0.00 H new ATOM 0 HG SER A 123 7.794 -9.187 -1.153 1.00 0.00 H new ATOM 1978 N ARG A 124 6.140 -11.603 -2.906 1.00 0.00 N ATOM 1979 CA ARG A 124 6.665 -12.957 -3.041 1.00 0.00 C ATOM 1980 C ARG A 124 5.835 -13.765 -4.034 1.00 0.00 C ATOM 1981 O ARG A 124 6.279 -14.798 -4.535 1.00 0.00 O ATOM 1982 CB ARG A 124 6.680 -13.658 -1.682 1.00 0.00 C ATOM 1983 CG ARG A 124 5.473 -14.550 -1.443 1.00 0.00 C ATOM 1984 CD ARG A 124 4.196 -13.736 -1.312 1.00 0.00 C ATOM 1985 NE ARG A 124 3.002 -14.554 -1.508 1.00 0.00 N ATOM 1986 CZ ARG A 124 2.431 -15.264 -0.542 1.00 0.00 C ATOM 1987 NH1 ARG A 124 2.942 -15.257 0.681 1.00 0.00 N ATOM 1988 NH2 ARG A 124 1.346 -15.984 -0.799 1.00 0.00 N ATOM 0 H ARG A 124 5.238 -11.546 -2.433 1.00 0.00 H new ATOM 0 HA ARG A 124 7.685 -12.889 -3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.586 -14.258 -1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 124 6.726 -12.905 -0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 124 5.372 -15.256 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 124 5.626 -15.137 -0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.161 -13.274 -0.326 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.205 -12.927 -2.043 1.00 0.00 H new ATOM 0 HE ARG A 124 2.584 -14.581 -2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 124 3.776 -14.705 0.882 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.501 -15.803 1.421 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.950 -15.992 -1.739 1.00 0.00 H new ATOM 0 HH22 ARG A 124 0.908 -16.529 -0.056 1.00 0.00 H new ATOM 2002 N THR A 125 4.626 -13.288 -4.313 1.00 0.00 N ATOM 2003 CA THR A 125 3.733 -13.967 -5.244 1.00 0.00 C ATOM 2004 C THR A 125 4.356 -14.065 -6.631 1.00 0.00 C ATOM 2005 O THR A 125 5.193 -13.251 -7.021 1.00 0.00 O ATOM 2006 CB THR A 125 2.378 -13.241 -5.353 1.00 0.00 C ATOM 2007 OG1 THR A 125 2.576 -11.903 -5.823 1.00 0.00 O ATOM 2008 CG2 THR A 125 1.670 -13.211 -4.007 1.00 0.00 C ATOM 0 H THR A 125 4.243 -12.434 -3.908 1.00 0.00 H new ATOM 0 HA THR A 125 3.570 -14.970 -4.850 1.00 0.00 H new ATOM 0 HB THR A 125 1.755 -13.786 -6.061 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.917 -11.347 -5.092 1.00 0.00 H new ATOM 0 HG21 THR A 125 0.716 -12.694 -4.109 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.495 -14.231 -3.665 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.291 -12.687 -3.281 1.00 0.00 H new ATOM 2016 N PRO A 126 3.941 -15.086 -7.396 1.00 0.00 N ATOM 2017 CA PRO A 126 4.445 -15.314 -8.754 1.00 0.00 C ATOM 2018 C PRO A 126 3.965 -14.252 -9.737 1.00 0.00 C ATOM 2019 O PRO A 126 4.241 -14.332 -10.934 1.00 0.00 O ATOM 2020 CB PRO A 126 3.868 -16.683 -9.121 1.00 0.00 C ATOM 2021 CG PRO A 126 2.646 -16.817 -8.280 1.00 0.00 C ATOM 2022 CD PRO A 126 2.945 -16.094 -6.996 1.00 0.00 C ATOM 0 HA PRO A 126 5.533 -15.269 -8.798 1.00 0.00 H new ATOM 0 HB2 PRO A 126 3.626 -16.739 -10.182 1.00 0.00 H new ATOM 0 HB3 PRO A 126 4.581 -17.481 -8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 126 1.779 -16.383 -8.779 1.00 0.00 H new ATOM 0 HG3 PRO A 126 2.414 -17.865 -8.093 1.00 0.00 H new ATOM 0 HD2 PRO A 126 2.051 -15.632 -6.578 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.339 -16.770 -6.237 1.00 0.00 H new ATOM 2030 N ILE A 127 3.246 -13.259 -9.224 1.00 0.00 N ATOM 2031 CA ILE A 127 2.729 -12.181 -10.058 1.00 0.00 C ATOM 2032 C ILE A 127 3.496 -10.885 -9.819 1.00 0.00 C ATOM 2033 O ILE A 127 3.641 -10.062 -10.722 1.00 0.00 O ATOM 2034 CB ILE A 127 1.232 -11.934 -9.795 1.00 0.00 C ATOM 2035 CG1 ILE A 127 0.431 -13.215 -10.037 1.00 0.00 C ATOM 2036 CG2 ILE A 127 0.718 -10.807 -10.677 1.00 0.00 C ATOM 2037 CD1 ILE A 127 0.307 -14.091 -8.811 1.00 0.00 C ATOM 0 H ILE A 127 3.008 -13.179 -8.235 1.00 0.00 H new ATOM 0 HA ILE A 127 2.861 -12.493 -11.094 1.00 0.00 H new ATOM 0 HB ILE A 127 1.105 -11.640 -8.753 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.567 -12.949 -10.386 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.906 -13.786 -10.835 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.342 -10.645 -10.479 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.272 -9.894 -10.460 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.855 -11.074 -11.725 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.273 -14.981 -9.057 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.300 -14.387 -8.473 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -0.196 -13.538 -8.018 1.00 0.00 H new ATOM 2049 N ALA A 128 3.988 -10.712 -8.596 1.00 0.00 N ATOM 2050 CA ALA A 128 4.745 -9.519 -8.239 1.00 0.00 C ATOM 2051 C ALA A 128 6.167 -9.586 -8.784 1.00 0.00 C ATOM 2052 O ALA A 128 6.729 -8.576 -9.209 1.00 0.00 O ATOM 2053 CB ALA A 128 4.764 -9.339 -6.728 1.00 0.00 C ATOM 0 H ALA A 128 3.876 -11.383 -7.836 1.00 0.00 H new ATOM 0 HA ALA A 128 4.252 -8.658 -8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.333 -8.444 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.743 -9.236 -6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.230 -10.208 -6.264 1.00 0.00 H new ATOM 2059 N LEU A 129 6.745 -10.782 -8.769 1.00 0.00 N ATOM 2060 CA LEU A 129 8.104 -10.982 -9.262 1.00 0.00 C ATOM 2061 C LEU A 129 8.129 -11.028 -10.786 1.00 0.00 C ATOM 2062 O LEU A 129 9.024 -10.470 -11.419 1.00 0.00 O ATOM 2063 CB LEU A 129 8.689 -12.275 -8.691 1.00 0.00 C ATOM 2064 CG LEU A 129 8.587 -12.446 -7.175 1.00 0.00 C ATOM 2065 CD1 LEU A 129 9.058 -13.832 -6.762 1.00 0.00 C ATOM 2066 CD2 LEU A 129 9.395 -11.372 -6.462 1.00 0.00 C ATOM 0 H LEU A 129 6.294 -11.628 -8.421 1.00 0.00 H new ATOM 0 HA LEU A 129 8.712 -10.139 -8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.187 -13.118 -9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.741 -12.330 -8.973 1.00 0.00 H new ATOM 0 HG LEU A 129 7.542 -12.338 -6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 129 8.978 -13.936 -5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.437 -14.586 -7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.096 -13.968 -7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.311 -11.509 -5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.442 -11.448 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.012 -10.388 -6.734 1.00 0.00 H new ATOM 2078 N ALA A 130 7.139 -11.696 -11.369 1.00 0.00 N ATOM 2079 CA ALA A 130 7.045 -11.811 -12.819 1.00 0.00 C ATOM 2080 C ALA A 130 7.441 -10.505 -13.500 1.00 0.00 C ATOM 2081 O ALA A 130 8.093 -10.510 -14.545 1.00 0.00 O ATOM 2082 CB ALA A 130 5.636 -12.215 -13.227 1.00 0.00 C ATOM 0 H ALA A 130 6.391 -12.166 -10.859 1.00 0.00 H new ATOM 0 HA ALA A 130 7.741 -12.585 -13.143 1.00 0.00 H new ATOM 0 HB1 ALA A 130 5.581 -12.297 -14.313 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.389 -13.177 -12.777 1.00 0.00 H new ATOM 0 HB3 ALA A 130 4.928 -11.461 -12.884 1.00 0.00 H new ATOM 2088 N THR A 131 7.042 -9.387 -12.903 1.00 0.00 N ATOM 2089 CA THR A 131 7.354 -8.073 -13.453 1.00 0.00 C ATOM 2090 C THR A 131 8.856 -7.814 -13.439 1.00 0.00 C ATOM 2091 O THR A 131 9.405 -7.241 -14.379 1.00 0.00 O ATOM 2092 CB THR A 131 6.644 -6.953 -12.669 1.00 0.00 C ATOM 2093 OG1 THR A 131 7.179 -6.868 -11.343 1.00 0.00 O ATOM 2094 CG2 THR A 131 5.145 -7.206 -12.601 1.00 0.00 C ATOM 0 H THR A 131 6.502 -9.365 -12.038 1.00 0.00 H new ATOM 0 HA THR A 131 6.997 -8.068 -14.483 1.00 0.00 H new ATOM 0 HB THR A 131 6.814 -6.011 -13.190 1.00 0.00 H new ATOM 0 HG1 THR A 131 6.840 -7.614 -10.805 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.665 -6.402 -12.043 1.00 0.00 H new ATOM 0 HG22 THR A 131 4.736 -7.241 -13.611 1.00 0.00 H new ATOM 0 HG23 THR A 131 4.959 -8.156 -12.101 1.00 0.00 H new ATOM 2102 N GLY A 132 9.516 -8.241 -12.367 1.00 0.00 N ATOM 2103 CA GLY A 132 10.950 -8.046 -12.253 1.00 0.00 C ATOM 2104 C GLY A 132 11.304 -6.810 -11.450 1.00 0.00 C ATOM 2105 O GLY A 132 12.352 -6.200 -11.668 1.00 0.00 O ATOM 0 H GLY A 132 9.084 -8.718 -11.576 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.397 -8.922 -11.782 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.383 -7.964 -13.250 1.00 0.00 H new ATOM 2109 N ILE A 133 10.430 -6.438 -10.521 1.00 0.00 N ATOM 2110 CA ILE A 133 10.656 -5.267 -9.684 1.00 0.00 C ATOM 2111 C ILE A 133 11.461 -5.627 -8.440 1.00 0.00 C ATOM 2112 O ILE A 133 11.242 -6.672 -7.827 1.00 0.00 O ATOM 2113 CB ILE A 133 9.328 -4.618 -9.253 1.00 0.00 C ATOM 2114 CG1 ILE A 133 8.513 -4.207 -10.481 1.00 0.00 C ATOM 2115 CG2 ILE A 133 9.592 -3.415 -8.359 1.00 0.00 C ATOM 2116 CD1 ILE A 133 7.025 -4.132 -10.221 1.00 0.00 C ATOM 0 H ILE A 133 9.558 -6.931 -10.329 1.00 0.00 H new ATOM 0 HA ILE A 133 11.221 -4.554 -10.285 1.00 0.00 H new ATOM 0 HB ILE A 133 8.751 -5.349 -8.686 1.00 0.00 H new ATOM 0 HG12 ILE A 133 8.862 -3.235 -10.830 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.698 -4.920 -11.285 1.00 0.00 H new ATOM 0 HG21 ILE A 133 8.644 -2.967 -8.063 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.136 -3.735 -7.470 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.186 -2.681 -8.903 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.510 -3.835 -11.135 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.662 -5.109 -9.901 1.00 0.00 H new ATOM 0 HD13 ILE A 133 6.829 -3.398 -9.439 1.00 0.00 H new ATOM 2128 N ARG A 134 12.393 -4.754 -8.071 1.00 0.00 N ATOM 2129 CA ARG A 134 13.230 -4.979 -6.900 1.00 0.00 C ATOM 2130 C ARG A 134 12.452 -5.706 -5.807 1.00 0.00 C ATOM 2131 O ARG A 134 11.714 -5.100 -5.029 1.00 0.00 O ATOM 2132 CB ARG A 134 13.762 -3.649 -6.363 1.00 0.00 C ATOM 2133 CG ARG A 134 14.577 -2.865 -7.378 1.00 0.00 C ATOM 2134 CD ARG A 134 15.247 -1.657 -6.742 1.00 0.00 C ATOM 2135 NE ARG A 134 16.251 -1.062 -7.620 1.00 0.00 N ATOM 2136 CZ ARG A 134 16.840 0.104 -7.379 1.00 0.00 C ATOM 2137 NH1 ARG A 134 16.527 0.796 -6.292 1.00 0.00 N ATOM 2138 NH2 ARG A 134 17.744 0.580 -8.226 1.00 0.00 N ATOM 0 H ARG A 134 12.587 -3.884 -8.567 1.00 0.00 H new ATOM 0 HA ARG A 134 14.071 -5.604 -7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 134 12.922 -3.038 -6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 134 14.379 -3.842 -5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 134 15.335 -3.514 -7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 134 13.929 -2.537 -8.191 1.00 0.00 H new ATOM 0 HD2 ARG A 134 14.491 -0.910 -6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 134 15.716 -1.955 -5.804 1.00 0.00 H new ATOM 0 HE ARG A 134 16.514 -1.570 -8.465 1.00 0.00 H new ATOM 0 HH11 ARG A 134 15.833 0.433 -5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 134 16.981 1.691 -6.109 1.00 0.00 H new ATOM 0 HH21 ARG A 134 17.987 0.050 -9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 134 18.196 1.475 -8.040 1.00 0.00 H new ATOM 2152 N PRO A 135 12.618 -7.035 -5.745 1.00 0.00 N ATOM 2153 CA PRO A 135 11.940 -7.873 -4.752 1.00 0.00 C ATOM 2154 C PRO A 135 12.469 -7.643 -3.341 1.00 0.00 C ATOM 2155 O PRO A 135 13.652 -7.360 -3.149 1.00 0.00 O ATOM 2156 CB PRO A 135 12.254 -9.298 -5.216 1.00 0.00 C ATOM 2157 CG PRO A 135 13.525 -9.175 -5.983 1.00 0.00 C ATOM 2158 CD PRO A 135 13.482 -7.823 -6.641 1.00 0.00 C ATOM 0 HA PRO A 135 10.874 -7.654 -4.694 1.00 0.00 H new ATOM 0 HB2 PRO A 135 12.367 -9.974 -4.369 1.00 0.00 H new ATOM 0 HB3 PRO A 135 11.453 -9.697 -5.838 1.00 0.00 H new ATOM 0 HG2 PRO A 135 14.389 -9.261 -5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 135 13.611 -9.968 -6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 135 14.477 -7.386 -6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 135 13.071 -7.879 -7.649 1.00 0.00 H new