USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 938 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 73 GLN : amide:sc= -9.78! C(o=-20!,f=-19!) USER MOD Set 1.2: A 118 ASN : amide:sc= -9.79! C(o=-20!,f=-26!) USER MOD Set 2.1: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 SER OG : rot 153:sc= 0.129 USER MOD Set 3.1: A 14 GLN :FLIP amide:sc= -5.88! C(o=-11!,f=-6.6!) USER MOD Set 3.2: A 62 GLN :FLIP amide:sc= -0.726! C(o=-18!,f=-6.6!) USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= -2.72! USER MOD Set 4.2: A 8 SER OG : rot 137:sc= -5.26! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= -0.0435 (180deg=-0.408) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.979 K(o=-0.98,f=-5.6!) USER MOD Single : A 43 SER OG : rot 120:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.21) USER MOD Single : A 49 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -4.1 K(o=-4.1,f=-7.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -105:sc= 0.373 (180deg=-1.31!) USER MOD Single : A 68 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.119) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -26:sc= 0.446 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -5.83! C(o=-5.8!,f=-6.6!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 180:sc= -1.48 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0248) USER MOD Single : A 98 LYS NZ :NH3+ -164:sc= -0.0187 (180deg=-0.28) USER MOD Single : A 101 ASN :FLIP amide:sc= -0.237 F(o=-1.6!,f=-0.24) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0538 K(o=-0.054,f=-1.8!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.686! USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN :FLIP amide:sc= -0.613 F(o=-1.3,f=-0.61) USER MOD Single : A 112 SER OG : rot 180:sc= -0.41 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 7 9.893 -14.985 -5.486 1.00 0.00 N ATOM 83 CA THR A 7 10.760 -14.587 -4.326 1.00 0.00 C ATOM 84 C THR A 7 11.169 -13.109 -4.508 1.00 0.00 C ATOM 85 O THR A 7 11.445 -12.715 -5.613 1.00 0.00 O ATOM 86 CB THR A 7 11.956 -15.570 -4.195 1.00 0.00 C ATOM 87 OG1 THR A 7 13.072 -14.878 -3.653 1.00 0.00 O ATOM 88 CG2 THR A 7 12.370 -16.142 -5.564 1.00 0.00 C ATOM 0 HA THR A 7 10.223 -14.657 -3.380 1.00 0.00 H new ATOM 0 HB THR A 7 11.644 -16.389 -3.547 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.829 -15.495 -3.567 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.209 -16.825 -5.434 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.529 -16.679 -6.003 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.665 -15.327 -6.225 1.00 0.00 H new ATOM 96 N SER A 8 11.367 -12.303 -3.460 1.00 0.00 N ATOM 97 CA SER A 8 11.064 -12.684 -2.036 1.00 0.00 C ATOM 98 C SER A 8 11.112 -11.394 -1.248 1.00 0.00 C ATOM 99 O SER A 8 12.153 -10.826 -0.997 1.00 0.00 O ATOM 100 CB SER A 8 12.104 -13.687 -1.515 1.00 0.00 C ATOM 101 OG SER A 8 11.659 -15.015 -1.753 1.00 0.00 O ATOM 0 H SER A 8 11.743 -11.359 -3.553 1.00 0.00 H new ATOM 0 HA SER A 8 10.092 -13.168 -1.944 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.061 -13.521 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.266 -13.535 -0.448 1.00 0.00 H new ATOM 0 HG SER A 8 12.406 -15.556 -2.086 1.00 0.00 H new ATOM 107 N TRP A 9 9.987 -11.053 -0.714 1.00 0.00 N ATOM 108 CA TRP A 9 9.857 -9.944 0.203 1.00 0.00 C ATOM 109 C TRP A 9 8.368 -9.916 0.480 1.00 0.00 C ATOM 110 O TRP A 9 7.577 -10.120 -0.386 1.00 0.00 O ATOM 111 CB TRP A 9 10.446 -8.653 -0.432 1.00 0.00 C ATOM 112 CG TRP A 9 9.452 -8.176 -1.468 1.00 0.00 C ATOM 113 CD1 TRP A 9 8.993 -8.957 -2.458 1.00 0.00 C ATOM 114 CD2 TRP A 9 8.777 -6.894 -1.629 1.00 0.00 C ATOM 115 NE1 TRP A 9 8.036 -8.299 -3.185 1.00 0.00 N ATOM 116 CE2 TRP A 9 7.880 -6.999 -2.742 1.00 0.00 C ATOM 117 CE3 TRP A 9 8.838 -5.663 -0.935 1.00 0.00 C ATOM 118 CZ2 TRP A 9 7.078 -5.920 -3.139 1.00 0.00 C ATOM 119 CZ3 TRP A 9 8.034 -4.574 -1.340 1.00 0.00 C ATOM 120 CH2 TRP A 9 7.159 -4.702 -2.438 1.00 0.00 C ATOM 0 H TRP A 9 9.110 -11.539 -0.899 1.00 0.00 H new ATOM 0 HA TRP A 9 10.414 -10.032 1.136 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.608 -7.889 0.328 1.00 0.00 H new ATOM 0 HB3 TRP A 9 11.414 -8.856 -0.891 1.00 0.00 H new ATOM 0 HD1 TRP A 9 9.331 -9.964 -2.654 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.508 -8.714 -3.953 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.503 -5.555 -0.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.403 -6.022 -3.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 8.090 -3.638 -0.805 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.550 -3.864 -2.742 1.00 0.00 H new ATOM 131 N ASP A 10 7.977 -9.669 1.689 1.00 0.00 N ATOM 132 CA ASP A 10 6.523 -9.645 1.986 1.00 0.00 C ATOM 133 C ASP A 10 5.995 -8.223 1.909 1.00 0.00 C ATOM 134 O ASP A 10 6.275 -7.417 2.774 1.00 0.00 O ATOM 135 CB ASP A 10 6.275 -10.309 3.378 1.00 0.00 C ATOM 136 CG ASP A 10 4.780 -10.524 3.730 1.00 0.00 C ATOM 137 OD1 ASP A 10 3.918 -9.967 3.069 1.00 0.00 O ATOM 138 OD2 ASP A 10 4.527 -11.301 4.633 1.00 0.00 O ATOM 0 H ASP A 10 8.592 -9.484 2.481 1.00 0.00 H new ATOM 0 HA ASP A 10 5.973 -10.221 1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.783 -11.273 3.402 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.731 -9.688 4.149 1.00 0.00 H new ATOM 143 N PHE A 11 5.186 -7.905 0.953 1.00 0.00 N ATOM 144 CA PHE A 11 4.652 -6.506 0.940 1.00 0.00 C ATOM 145 C PHE A 11 3.135 -6.614 0.685 1.00 0.00 C ATOM 146 O PHE A 11 2.647 -5.991 -0.201 1.00 0.00 O ATOM 147 CB PHE A 11 5.290 -5.702 -0.229 1.00 0.00 C ATOM 148 CG PHE A 11 5.597 -4.255 0.137 1.00 0.00 C ATOM 149 CD1 PHE A 11 6.445 -3.922 1.221 1.00 0.00 C ATOM 150 CD2 PHE A 11 5.066 -3.220 -0.662 1.00 0.00 C ATOM 151 CE1 PHE A 11 6.753 -2.574 1.489 1.00 0.00 C ATOM 152 CE2 PHE A 11 5.368 -1.876 -0.380 1.00 0.00 C ATOM 153 CZ PHE A 11 6.213 -1.553 0.691 1.00 0.00 C ATOM 0 H PHE A 11 4.873 -8.518 0.200 1.00 0.00 H new ATOM 0 HA PHE A 11 4.877 -6.002 1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.211 -6.195 -0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.615 -5.719 -1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.856 -4.703 1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.423 -3.462 -1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.407 -2.325 2.312 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.948 -1.090 -0.990 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.448 -0.520 0.902 1.00 0.00 H new ATOM 163 N GLY A 12 2.354 -7.320 1.472 1.00 0.00 N ATOM 164 CA GLY A 12 0.884 -7.357 1.139 1.00 0.00 C ATOM 165 C GLY A 12 0.233 -5.974 1.280 1.00 0.00 C ATOM 166 O GLY A 12 -0.515 -5.525 0.422 1.00 0.00 O ATOM 0 H GLY A 12 2.647 -7.850 2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.751 -7.719 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.380 -8.065 1.797 1.00 0.00 H new ATOM 170 N PRO A 13 0.573 -5.269 2.325 1.00 0.00 N ATOM 171 CA PRO A 13 0.014 -3.928 2.599 1.00 0.00 C ATOM 172 C PRO A 13 -0.300 -3.176 1.310 1.00 0.00 C ATOM 173 O PRO A 13 -1.448 -2.956 0.972 1.00 0.00 O ATOM 174 CB PRO A 13 1.119 -3.227 3.400 1.00 0.00 C ATOM 175 CG PRO A 13 1.746 -4.312 4.212 1.00 0.00 C ATOM 176 CD PRO A 13 1.562 -5.621 3.428 1.00 0.00 C ATOM 0 HA PRO A 13 -0.932 -3.974 3.138 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.847 -2.755 2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.710 -2.442 4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.804 -4.107 4.379 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.276 -4.380 5.193 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.508 -5.973 3.016 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.177 -6.416 4.067 1.00 0.00 H new ATOM 184 N GLN A 14 0.705 -2.770 0.582 1.00 0.00 N ATOM 185 CA GLN A 14 0.426 -2.021 -0.663 1.00 0.00 C ATOM 186 C GLN A 14 -0.345 -2.917 -1.630 1.00 0.00 C ATOM 187 O GLN A 14 -1.121 -2.423 -2.395 1.00 0.00 O ATOM 188 CB GLN A 14 1.732 -1.505 -1.313 1.00 0.00 C ATOM 189 CG GLN A 14 2.136 -0.138 -0.721 1.00 0.00 C ATOM 190 CD GLN A 14 3.117 0.579 -1.651 1.00 0.00 C ATOM 191 OE1 GLN A 14 3.645 -0.077 -2.647 1.00 0.00 O flip ATOM 192 NE2 GLN A 14 3.394 1.747 -1.474 1.00 0.00 N flip ATOM 0 H GLN A 14 1.690 -2.924 0.796 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.180 -1.148 -0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.533 -2.227 -1.153 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.596 -1.414 -2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.249 0.478 -0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.592 -0.280 0.259 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.979 2.257 -0.694 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.042 2.219 -2.105 1.00 0.00 H new ATOM 201 N ALA A 15 -0.163 -4.214 -1.617 1.00 0.00 N ATOM 202 CA ALA A 15 -0.912 -5.024 -2.616 1.00 0.00 C ATOM 203 C ALA A 15 -2.332 -5.178 -2.115 1.00 0.00 C ATOM 204 O ALA A 15 -3.276 -5.060 -2.867 1.00 0.00 O ATOM 205 CB ALA A 15 -0.259 -6.389 -2.863 1.00 0.00 C ATOM 0 H ALA A 15 0.448 -4.729 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.902 -4.512 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.842 -6.943 -3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.755 -6.245 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.225 -6.951 -1.929 1.00 0.00 H new ATOM 211 N PHE A 16 -2.512 -5.364 -0.835 1.00 0.00 N ATOM 212 CA PHE A 16 -3.886 -5.510 -0.327 1.00 0.00 C ATOM 213 C PHE A 16 -4.476 -4.118 -0.445 1.00 0.00 C ATOM 214 O PHE A 16 -5.546 -3.918 -0.944 1.00 0.00 O ATOM 215 CB PHE A 16 -3.859 -5.989 1.143 1.00 0.00 C ATOM 216 CG PHE A 16 -3.565 -7.481 1.222 1.00 0.00 C ATOM 217 CD1 PHE A 16 -4.444 -8.402 0.625 1.00 0.00 C ATOM 218 CD2 PHE A 16 -2.414 -7.940 1.896 1.00 0.00 C ATOM 219 CE1 PHE A 16 -4.174 -9.784 0.702 1.00 0.00 C ATOM 220 CE2 PHE A 16 -2.147 -9.324 1.970 1.00 0.00 C ATOM 221 CZ PHE A 16 -3.026 -10.241 1.373 1.00 0.00 C ATOM 0 H PHE A 16 -1.772 -5.419 -0.135 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.471 -6.247 -0.877 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.101 -5.435 1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.818 -5.777 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.325 -8.051 0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.738 -7.234 2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.850 -10.492 0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.266 -9.677 2.486 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.820 -11.300 1.429 1.00 0.00 H new ATOM 231 N LYS A 17 -3.738 -3.137 -0.050 1.00 0.00 N ATOM 232 CA LYS A 17 -4.256 -1.757 -0.159 1.00 0.00 C ATOM 233 C LYS A 17 -4.425 -1.374 -1.640 1.00 0.00 C ATOM 234 O LYS A 17 -5.381 -0.713 -1.981 1.00 0.00 O ATOM 235 CB LYS A 17 -3.311 -0.807 0.595 1.00 0.00 C ATOM 236 CG LYS A 17 -3.333 -1.040 2.129 1.00 0.00 C ATOM 237 CD LYS A 17 -2.354 -0.131 2.921 1.00 0.00 C ATOM 238 CE LYS A 17 -2.420 -0.464 4.437 1.00 0.00 C ATOM 239 NZ LYS A 17 -1.480 0.402 5.201 1.00 0.00 N ATOM 0 H LYS A 17 -2.801 -3.226 0.343 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.242 -1.680 0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.295 -0.942 0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.593 0.224 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.345 -0.873 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.088 -2.083 2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.337 -0.273 2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.608 0.917 2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.436 -0.320 4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.169 -1.513 4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.536 0.167 6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.509 0.244 4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.737 1.400 5.063 1.00 0.00 H new ATOM 253 N LEU A 18 -3.564 -1.788 -2.551 1.00 0.00 N ATOM 254 CA LEU A 18 -3.810 -1.409 -3.971 1.00 0.00 C ATOM 255 C LEU A 18 -5.164 -2.002 -4.330 1.00 0.00 C ATOM 256 O LEU A 18 -5.992 -1.348 -4.910 1.00 0.00 O ATOM 257 CB LEU A 18 -2.715 -1.980 -4.921 1.00 0.00 C ATOM 258 CG LEU A 18 -2.990 -1.652 -6.403 1.00 0.00 C ATOM 259 CD1 LEU A 18 -1.717 -1.825 -7.248 1.00 0.00 C ATOM 260 CD2 LEU A 18 -4.124 -2.528 -6.957 1.00 0.00 C ATOM 0 H LEU A 18 -2.733 -2.352 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.786 -0.325 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.744 -1.574 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.658 -3.061 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.302 -0.609 -6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.936 -1.588 -8.289 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.941 -1.154 -6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.370 -2.856 -7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.299 -2.278 -8.003 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.845 -3.579 -6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.034 -2.350 -6.384 1.00 0.00 H new ATOM 272 N LEU A 19 -5.401 -3.227 -3.959 1.00 0.00 N ATOM 273 CA LEU A 19 -6.701 -3.844 -4.285 1.00 0.00 C ATOM 274 C LEU A 19 -7.889 -3.062 -3.639 1.00 0.00 C ATOM 275 O LEU A 19 -8.914 -2.883 -4.302 1.00 0.00 O ATOM 276 CB LEU A 19 -6.662 -5.344 -3.910 1.00 0.00 C ATOM 277 CG LEU A 19 -5.684 -6.167 -4.779 1.00 0.00 C ATOM 278 CD1 LEU A 19 -5.296 -7.529 -4.129 1.00 0.00 C ATOM 279 CD2 LEU A 19 -6.366 -6.458 -6.124 1.00 0.00 C ATOM 0 H LEU A 19 -4.750 -3.821 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.879 -3.782 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.377 -5.442 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.664 -5.762 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.772 -5.582 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.608 -8.062 -4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.815 -7.349 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.193 -8.130 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.693 -7.039 -6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.282 -7.024 -5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.608 -5.518 -6.620 1.00 0.00 H new ATOM 291 N SER A 20 -7.866 -2.617 -2.377 1.00 0.00 N ATOM 292 CA SER A 20 -9.137 -1.912 -1.926 1.00 0.00 C ATOM 293 C SER A 20 -9.266 -0.516 -2.597 1.00 0.00 C ATOM 294 O SER A 20 -10.370 -0.039 -2.866 1.00 0.00 O ATOM 295 CB SER A 20 -9.237 -1.794 -0.394 1.00 0.00 C ATOM 296 OG SER A 20 -10.598 -1.625 -0.021 1.00 0.00 O ATOM 0 H SER A 20 -7.105 -2.699 -1.703 1.00 0.00 H new ATOM 0 HA SER A 20 -9.972 -2.533 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.827 -2.687 0.078 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.645 -0.948 -0.044 1.00 0.00 H new ATOM 0 HG SER A 20 -10.663 -1.551 0.954 1.00 0.00 H new ATOM 302 N ALA A 21 -8.183 0.172 -2.872 1.00 0.00 N ATOM 303 CA ALA A 21 -8.342 1.532 -3.488 1.00 0.00 C ATOM 304 C ALA A 21 -8.972 1.440 -4.890 1.00 0.00 C ATOM 305 O ALA A 21 -9.836 2.223 -5.224 1.00 0.00 O ATOM 306 CB ALA A 21 -6.997 2.266 -3.572 1.00 0.00 C ATOM 0 H ALA A 21 -7.225 -0.134 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.010 2.100 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.146 3.247 -4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.584 2.385 -2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.304 1.687 -4.183 1.00 0.00 H new ATOM 312 N VAL A 22 -8.574 0.498 -5.716 1.00 0.00 N ATOM 313 CA VAL A 22 -9.199 0.402 -7.082 1.00 0.00 C ATOM 314 C VAL A 22 -10.695 0.180 -6.881 1.00 0.00 C ATOM 315 O VAL A 22 -11.520 0.779 -7.530 1.00 0.00 O ATOM 316 CB VAL A 22 -8.523 -0.768 -7.873 1.00 0.00 C ATOM 317 CG1 VAL A 22 -7.115 -0.416 -8.373 1.00 0.00 C ATOM 318 CG2 VAL A 22 -8.446 -2.060 -7.020 1.00 0.00 C ATOM 0 H VAL A 22 -7.857 -0.198 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.053 1.310 -7.667 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.160 -0.938 -8.741 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.698 -1.266 -8.914 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.170 0.446 -9.038 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.476 -0.178 -7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.971 -2.851 -7.600 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.860 -1.868 -6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.452 -2.370 -6.738 1.00 0.00 H new ATOM 328 N ASP A 23 -11.019 -0.656 -5.962 1.00 0.00 N ATOM 329 CA ASP A 23 -12.442 -0.944 -5.661 1.00 0.00 C ATOM 330 C ASP A 23 -13.133 0.355 -5.243 1.00 0.00 C ATOM 331 O ASP A 23 -14.207 0.665 -5.719 1.00 0.00 O ATOM 332 CB ASP A 23 -12.530 -1.964 -4.523 1.00 0.00 C ATOM 333 CG ASP A 23 -13.988 -2.124 -4.090 1.00 0.00 C ATOM 334 OD1 ASP A 23 -14.862 -1.850 -4.897 1.00 0.00 O ATOM 335 OD2 ASP A 23 -14.207 -2.516 -2.955 1.00 0.00 O ATOM 0 H ASP A 23 -10.349 -1.168 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.931 -1.354 -6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.130 -2.924 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.923 -1.636 -3.679 1.00 0.00 H new ATOM 340 N ILE A 24 -12.533 1.145 -4.376 1.00 0.00 N ATOM 341 CA ILE A 24 -13.220 2.424 -4.001 1.00 0.00 C ATOM 342 C ILE A 24 -13.377 3.259 -5.287 1.00 0.00 C ATOM 343 O ILE A 24 -14.410 3.833 -5.554 1.00 0.00 O ATOM 344 CB ILE A 24 -12.415 3.173 -2.893 1.00 0.00 C ATOM 345 CG1 ILE A 24 -12.488 2.384 -1.572 1.00 0.00 C ATOM 346 CG2 ILE A 24 -12.957 4.594 -2.644 1.00 0.00 C ATOM 347 CD1 ILE A 24 -13.779 2.731 -0.819 1.00 0.00 C ATOM 0 H ILE A 24 -11.634 0.969 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.206 2.233 -3.577 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.385 3.252 -3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.454 1.314 -1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.623 2.618 -0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.367 5.077 -1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.890 5.175 -3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.998 4.536 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.819 2.167 0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.796 3.798 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.640 2.474 -1.436 1.00 0.00 H new ATOM 359 N LEU A 25 -12.348 3.279 -6.094 1.00 0.00 N ATOM 360 CA LEU A 25 -12.386 4.028 -7.385 1.00 0.00 C ATOM 361 C LEU A 25 -13.409 3.336 -8.276 1.00 0.00 C ATOM 362 O LEU A 25 -13.672 3.748 -9.386 1.00 0.00 O ATOM 363 CB LEU A 25 -10.986 3.995 -8.023 1.00 0.00 C ATOM 364 CG LEU A 25 -9.988 4.800 -7.160 1.00 0.00 C ATOM 365 CD1 LEU A 25 -8.568 4.662 -7.718 1.00 0.00 C ATOM 366 CD2 LEU A 25 -10.382 6.285 -7.156 1.00 0.00 C ATOM 0 H LEU A 25 -11.467 2.799 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.667 5.071 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.646 2.964 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.027 4.412 -9.029 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.015 4.407 -6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.877 5.235 -7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.275 3.612 -7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.540 5.041 -8.740 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.675 6.847 -6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.366 6.668 -8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.385 6.394 -6.743 1.00 0.00 H new ATOM 378 N GLY A 26 -13.982 2.265 -7.773 1.00 0.00 N ATOM 379 CA GLY A 26 -14.999 1.497 -8.547 1.00 0.00 C ATOM 380 C GLY A 26 -14.347 0.854 -9.773 1.00 0.00 C ATOM 381 O GLY A 26 -15.009 0.569 -10.743 1.00 0.00 O ATOM 0 H GLY A 26 -13.782 1.890 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.444 0.728 -7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.807 2.159 -8.859 1.00 0.00 H new ATOM 385 N GLU A 27 -13.052 0.627 -9.700 1.00 0.00 N ATOM 386 CA GLU A 27 -12.269 -0.010 -10.823 1.00 0.00 C ATOM 387 C GLU A 27 -12.303 0.818 -12.133 1.00 0.00 C ATOM 388 O GLU A 27 -11.795 0.369 -13.140 1.00 0.00 O ATOM 389 CB GLU A 27 -12.789 -1.423 -11.160 1.00 0.00 C ATOM 390 CG GLU A 27 -12.559 -2.437 -10.012 1.00 0.00 C ATOM 391 CD GLU A 27 -13.169 -3.796 -10.388 1.00 0.00 C ATOM 392 OE1 GLU A 27 -12.753 -4.366 -11.386 1.00 0.00 O ATOM 393 OE2 GLU A 27 -14.039 -4.245 -9.665 1.00 0.00 O ATOM 0 H GLU A 27 -12.486 0.863 -8.885 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.246 -0.057 -10.450 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.855 -1.369 -11.383 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.292 -1.783 -12.061 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.492 -2.548 -9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.011 -2.067 -9.092 1.00 0.00 H new ATOM 400 N LYS A 28 -12.851 2.018 -12.166 1.00 0.00 N ATOM 401 CA LYS A 28 -12.830 2.781 -13.474 1.00 0.00 C ATOM 402 C LYS A 28 -11.447 3.423 -13.636 1.00 0.00 C ATOM 403 O LYS A 28 -11.205 4.282 -14.455 1.00 0.00 O ATOM 404 CB LYS A 28 -13.988 3.825 -13.533 1.00 0.00 C ATOM 405 CG LYS A 28 -15.401 3.194 -13.439 1.00 0.00 C ATOM 406 CD LYS A 28 -15.795 2.435 -14.750 1.00 0.00 C ATOM 407 CE LYS A 28 -17.203 1.839 -14.622 1.00 0.00 C ATOM 408 NZ LYS A 28 -18.200 2.939 -14.475 1.00 0.00 N ATOM 0 H LYS A 28 -13.296 2.491 -11.379 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.999 2.103 -14.310 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.864 4.539 -12.719 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.912 4.387 -14.464 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.434 2.503 -12.597 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.134 3.975 -13.239 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.759 3.119 -15.598 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.074 1.642 -14.949 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.436 1.238 -15.501 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.250 1.174 -13.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.153 2.573 -14.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.168 3.309 -13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.975 3.703 -15.144 1.00 0.00 H new ATOM 422 N PHE A 29 -10.501 2.978 -12.885 1.00 0.00 N ATOM 423 CA PHE A 29 -9.145 3.577 -13.024 1.00 0.00 C ATOM 424 C PHE A 29 -8.192 2.556 -13.637 1.00 0.00 C ATOM 425 O PHE A 29 -8.274 1.361 -13.390 1.00 0.00 O ATOM 426 CB PHE A 29 -8.618 4.004 -11.661 1.00 0.00 C ATOM 427 CG PHE A 29 -9.169 5.361 -11.334 1.00 0.00 C ATOM 428 CD1 PHE A 29 -10.551 5.555 -11.258 1.00 0.00 C ATOM 429 CD2 PHE A 29 -8.296 6.423 -11.106 1.00 0.00 C ATOM 430 CE1 PHE A 29 -11.061 6.825 -10.960 1.00 0.00 C ATOM 431 CE2 PHE A 29 -8.804 7.701 -10.806 1.00 0.00 C ATOM 432 CZ PHE A 29 -10.192 7.902 -10.737 1.00 0.00 C ATOM 0 H PHE A 29 -10.593 2.238 -12.189 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.212 4.451 -13.672 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.914 3.283 -10.899 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.528 4.031 -11.669 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.224 4.728 -11.429 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.229 6.265 -11.160 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.129 6.975 -10.902 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.128 8.525 -10.629 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.588 8.882 -10.513 1.00 0.00 H new ATOM 442 N GLY A 30 -7.295 3.064 -14.445 1.00 0.00 N ATOM 443 CA GLY A 30 -6.273 2.232 -15.136 1.00 0.00 C ATOM 444 C GLY A 30 -4.964 2.243 -14.324 1.00 0.00 C ATOM 445 O GLY A 30 -4.969 2.318 -13.111 1.00 0.00 O ATOM 0 H GLY A 30 -7.231 4.059 -14.659 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.636 1.210 -15.247 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.094 2.617 -16.140 1.00 0.00 H new ATOM 449 N ILE A 31 -3.849 2.146 -15.002 1.00 0.00 N ATOM 450 CA ILE A 31 -2.503 2.158 -14.310 1.00 0.00 C ATOM 451 C ILE A 31 -1.909 3.583 -14.184 1.00 0.00 C ATOM 452 O ILE A 31 -1.280 3.935 -13.180 1.00 0.00 O ATOM 453 CB ILE A 31 -1.541 1.281 -15.120 1.00 0.00 C ATOM 454 CG1 ILE A 31 -0.173 1.269 -14.425 1.00 0.00 C ATOM 455 CG2 ILE A 31 -1.396 1.851 -16.532 1.00 0.00 C ATOM 456 CD1 ILE A 31 0.698 0.149 -15.004 1.00 0.00 C ATOM 0 H ILE A 31 -3.803 2.058 -16.017 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.639 1.777 -13.298 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.930 0.265 -15.183 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.321 2.231 -14.559 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.302 1.123 -13.352 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.712 1.227 -17.108 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.371 1.867 -17.020 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.002 2.866 -16.476 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.667 0.147 -14.505 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.207 -0.812 -14.847 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.840 0.314 -16.072 1.00 0.00 H new ATOM 468 N GLY A 32 -2.056 4.368 -15.215 1.00 0.00 N ATOM 469 CA GLY A 32 -1.474 5.754 -15.247 1.00 0.00 C ATOM 470 C GLY A 32 -2.195 6.752 -14.327 1.00 0.00 C ATOM 471 O GLY A 32 -1.566 7.544 -13.652 1.00 0.00 O ATOM 0 H GLY A 32 -2.566 4.107 -16.059 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.424 5.703 -14.960 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.507 6.128 -16.270 1.00 0.00 H new ATOM 475 N LEU A 33 -3.507 6.770 -14.335 1.00 0.00 N ATOM 476 CA LEU A 33 -4.247 7.773 -13.503 1.00 0.00 C ATOM 477 C LEU A 33 -3.972 7.555 -11.993 1.00 0.00 C ATOM 478 O LEU A 33 -3.681 8.506 -11.299 1.00 0.00 O ATOM 479 CB LEU A 33 -5.765 7.713 -13.818 1.00 0.00 C ATOM 480 CG LEU A 33 -6.431 9.107 -13.664 1.00 0.00 C ATOM 481 CD1 LEU A 33 -5.862 10.087 -14.705 1.00 0.00 C ATOM 482 CD2 LEU A 33 -7.940 8.951 -13.885 1.00 0.00 C ATOM 0 H LEU A 33 -4.095 6.138 -14.878 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.886 8.770 -13.757 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.913 7.348 -14.834 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.249 7.001 -13.150 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.230 9.500 -12.667 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.337 11.061 -14.586 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.786 10.188 -14.560 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.059 9.707 -15.708 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.425 9.921 -13.781 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.123 8.560 -14.886 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.347 8.261 -13.146 1.00 0.00 H new ATOM 494 N PRO A 34 -4.052 6.352 -11.464 1.00 0.00 N ATOM 495 CA PRO A 34 -3.800 6.094 -10.005 1.00 0.00 C ATOM 496 C PRO A 34 -2.308 5.990 -9.635 1.00 0.00 C ATOM 497 O PRO A 34 -1.896 6.480 -8.605 1.00 0.00 O ATOM 498 CB PRO A 34 -4.499 4.756 -9.790 1.00 0.00 C ATOM 499 CG PRO A 34 -4.296 4.034 -11.083 1.00 0.00 C ATOM 500 CD PRO A 34 -4.382 5.097 -12.192 1.00 0.00 C ATOM 0 HA PRO A 34 -4.162 6.912 -9.382 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.065 4.208 -8.954 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.558 4.889 -9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.328 3.532 -11.100 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.056 3.265 -11.222 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.677 4.899 -12.999 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.375 5.137 -12.639 1.00 0.00 H new ATOM 508 N ILE A 35 -1.470 5.398 -10.443 1.00 0.00 N ATOM 509 CA ILE A 35 -0.010 5.352 -10.040 1.00 0.00 C ATOM 510 C ILE A 35 0.427 6.779 -9.653 1.00 0.00 C ATOM 511 O ILE A 35 1.027 6.990 -8.621 1.00 0.00 O ATOM 512 CB ILE A 35 0.797 4.805 -11.211 1.00 0.00 C ATOM 513 CG1 ILE A 35 2.265 4.602 -10.809 1.00 0.00 C ATOM 514 CG2 ILE A 35 0.696 5.736 -12.420 1.00 0.00 C ATOM 515 CD1 ILE A 35 3.001 3.764 -11.870 1.00 0.00 C ATOM 0 H ILE A 35 -1.706 4.957 -11.332 1.00 0.00 H new ATOM 0 HA ILE A 35 0.155 4.699 -9.183 1.00 0.00 H new ATOM 0 HB ILE A 35 0.380 3.837 -11.489 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.755 5.569 -10.696 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.318 4.103 -9.841 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.280 5.326 -13.244 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.347 5.826 -12.723 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.083 6.720 -12.155 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.040 3.629 -11.570 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.520 2.790 -11.962 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.964 4.279 -12.830 1.00 0.00 H new ATOM 527 N LEU A 36 0.084 7.760 -10.456 1.00 0.00 N ATOM 528 CA LEU A 36 0.408 9.179 -10.100 1.00 0.00 C ATOM 529 C LEU A 36 -0.248 9.575 -8.758 1.00 0.00 C ATOM 530 O LEU A 36 0.383 10.191 -7.909 1.00 0.00 O ATOM 531 CB LEU A 36 -0.076 10.131 -11.204 1.00 0.00 C ATOM 532 CG LEU A 36 0.753 9.938 -12.480 1.00 0.00 C ATOM 533 CD1 LEU A 36 0.116 10.724 -13.637 1.00 0.00 C ATOM 534 CD2 LEU A 36 2.187 10.440 -12.255 1.00 0.00 C ATOM 0 H LEU A 36 -0.406 7.639 -11.342 1.00 0.00 H new ATOM 0 HA LEU A 36 1.490 9.259 -10.000 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.129 9.946 -11.416 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.004 11.163 -10.863 1.00 0.00 H new ATOM 0 HG LEU A 36 0.776 8.877 -12.728 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.708 10.584 -14.541 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.898 10.362 -13.808 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.086 11.784 -13.384 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.769 10.299 -13.166 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.166 11.499 -11.998 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.646 9.878 -11.441 1.00 0.00 H new ATOM 546 N PHE A 37 -1.511 9.243 -8.560 1.00 0.00 N ATOM 547 CA PHE A 37 -2.191 9.581 -7.259 1.00 0.00 C ATOM 548 C PHE A 37 -1.658 8.640 -6.188 1.00 0.00 C ATOM 549 O PHE A 37 -1.725 9.445 -5.268 1.00 0.00 O ATOM 550 CB PHE A 37 -3.724 9.288 -7.327 1.00 0.00 C ATOM 551 CG PHE A 37 -4.576 10.055 -6.335 1.00 0.00 C ATOM 552 CD1 PHE A 37 -4.589 11.456 -6.335 1.00 0.00 C ATOM 553 CD2 PHE A 37 -5.461 9.353 -5.483 1.00 0.00 C ATOM 554 CE1 PHE A 37 -5.474 12.163 -5.504 1.00 0.00 C ATOM 555 CE2 PHE A 37 -6.330 10.051 -4.633 1.00 0.00 C ATOM 556 CZ PHE A 37 -6.346 11.459 -4.648 1.00 0.00 C ATOM 0 H PHE A 37 -2.096 8.756 -9.239 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.007 10.635 -7.051 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.076 9.514 -8.334 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.881 8.221 -7.167 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.913 11.997 -6.980 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.467 8.273 -5.488 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.487 13.243 -5.521 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.986 9.510 -3.968 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.025 11.999 -4.005 1.00 0.00 H new ATOM 566 N LEU A 38 -1.230 7.449 -6.011 1.00 0.00 N ATOM 567 CA LEU A 38 -0.811 7.004 -4.729 1.00 0.00 C ATOM 568 C LEU A 38 0.351 7.882 -4.245 1.00 0.00 C ATOM 569 O LEU A 38 0.378 8.224 -3.096 1.00 0.00 O ATOM 570 CB LEU A 38 -0.483 5.525 -4.955 1.00 0.00 C ATOM 571 CG LEU A 38 -1.684 4.849 -5.728 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.531 3.303 -5.765 1.00 0.00 C ATOM 573 CD2 LEU A 38 -3.039 5.207 -5.067 1.00 0.00 C ATOM 0 H LEU A 38 -1.158 6.749 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.547 7.091 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.438 5.426 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.319 5.025 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.666 5.233 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.372 2.867 -6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.602 3.041 -6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.511 2.915 -4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.850 4.730 -5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.045 4.855 -4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.177 6.288 -5.083 1.00 0.00 H new ATOM 585 N ARG A 39 1.285 8.273 -5.077 1.00 0.00 N ATOM 586 CA ARG A 39 2.427 9.124 -4.601 1.00 0.00 C ATOM 587 C ARG A 39 2.005 10.526 -4.059 1.00 0.00 C ATOM 588 O ARG A 39 2.845 11.320 -3.702 1.00 0.00 O ATOM 589 CB ARG A 39 3.403 9.320 -5.773 1.00 0.00 C ATOM 590 CG ARG A 39 3.975 7.967 -6.232 1.00 0.00 C ATOM 591 CD ARG A 39 5.161 8.177 -7.182 1.00 0.00 C ATOM 592 NE ARG A 39 6.339 8.636 -6.393 1.00 0.00 N ATOM 593 CZ ARG A 39 7.539 8.512 -6.881 1.00 0.00 C ATOM 594 NH1 ARG A 39 7.708 7.967 -8.057 1.00 0.00 N ATOM 595 NH2 ARG A 39 8.571 8.923 -6.197 1.00 0.00 N ATOM 0 H ARG A 39 1.308 8.040 -6.070 1.00 0.00 H new ATOM 0 HA ARG A 39 2.881 8.598 -3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.890 9.805 -6.604 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.215 9.981 -5.471 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.294 7.388 -5.365 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.199 7.389 -6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.395 7.249 -7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.907 8.914 -7.944 1.00 0.00 H new ATOM 0 HE ARG A 39 6.205 9.048 -5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.901 7.641 -8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.647 7.868 -8.443 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.439 9.343 -5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.510 8.824 -6.582 1.00 0.00 H new ATOM 609 N GLY A 40 0.732 10.809 -3.928 1.00 0.00 N ATOM 610 CA GLY A 40 0.294 12.125 -3.363 1.00 0.00 C ATOM 611 C GLY A 40 0.663 13.226 -4.323 1.00 0.00 C ATOM 612 O GLY A 40 1.316 14.183 -3.968 1.00 0.00 O ATOM 0 H GLY A 40 -0.028 10.181 -4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.783 12.121 -3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.769 12.295 -2.397 1.00 0.00 H new ATOM 616 N SER A 41 0.251 13.091 -5.553 1.00 0.00 N ATOM 617 CA SER A 41 0.591 14.146 -6.581 1.00 0.00 C ATOM 618 C SER A 41 -0.043 15.538 -6.276 1.00 0.00 C ATOM 619 O SER A 41 -1.026 15.669 -5.541 1.00 0.00 O ATOM 620 CB SER A 41 0.368 13.666 -7.999 1.00 0.00 C ATOM 621 OG SER A 41 -1.022 13.463 -8.209 1.00 0.00 O ATOM 0 H SER A 41 -0.302 12.307 -5.900 1.00 0.00 H new ATOM 0 HA SER A 41 1.665 14.315 -6.496 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.752 14.399 -8.709 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.914 12.738 -8.172 1.00 0.00 H new ATOM 0 HG SER A 41 -1.172 13.154 -9.127 1.00 0.00 H new ATOM 627 N ASN A 42 0.530 16.578 -6.831 1.00 0.00 N ATOM 628 CA ASN A 42 -0.006 17.970 -6.633 1.00 0.00 C ATOM 629 C ASN A 42 -1.327 17.996 -7.407 1.00 0.00 C ATOM 630 O ASN A 42 -1.371 18.151 -8.609 1.00 0.00 O ATOM 631 CB ASN A 42 0.921 19.066 -7.165 1.00 0.00 C ATOM 632 CG ASN A 42 0.335 20.437 -6.804 1.00 0.00 C ATOM 633 OD1 ASN A 42 -0.867 20.588 -6.708 1.00 0.00 O ATOM 634 ND2 ASN A 42 1.136 21.442 -6.582 1.00 0.00 N ATOM 0 H ASN A 42 1.359 16.525 -7.423 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.113 18.178 -5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.917 18.958 -6.735 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.029 18.976 -8.246 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.753 22.353 -6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.145 21.317 -6.662 1.00 0.00 H new ATOM 641 N SER A 43 -2.407 17.844 -6.675 1.00 0.00 N ATOM 642 CA SER A 43 -3.779 17.852 -7.270 1.00 0.00 C ATOM 643 C SER A 43 -4.836 18.082 -6.186 1.00 0.00 C ATOM 644 O SER A 43 -5.234 17.180 -5.490 1.00 0.00 O ATOM 645 CB SER A 43 -4.043 16.512 -7.953 1.00 0.00 C ATOM 646 OG SER A 43 -5.355 16.516 -8.494 1.00 0.00 O ATOM 0 H SER A 43 -2.391 17.711 -5.664 1.00 0.00 H new ATOM 0 HA SER A 43 -3.839 18.662 -7.997 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.311 16.342 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.934 15.697 -7.237 1.00 0.00 H new ATOM 0 HG SER A 43 -5.309 16.383 -9.464 1.00 0.00 H new ATOM 652 N GLN A 44 -5.273 19.301 -6.020 1.00 0.00 N ATOM 653 CA GLN A 44 -6.292 19.596 -4.972 1.00 0.00 C ATOM 654 C GLN A 44 -7.692 19.104 -5.390 1.00 0.00 C ATOM 655 O GLN A 44 -8.453 18.634 -4.568 1.00 0.00 O ATOM 656 CB GLN A 44 -6.343 21.108 -4.736 1.00 0.00 C ATOM 657 CG GLN A 44 -7.219 21.403 -3.516 1.00 0.00 C ATOM 658 CD GLN A 44 -6.533 20.882 -2.253 1.00 0.00 C ATOM 659 OE1 GLN A 44 -5.435 21.290 -1.936 1.00 0.00 O ATOM 660 NE2 GLN A 44 -7.137 19.991 -1.515 1.00 0.00 N ATOM 0 H GLN A 44 -4.968 20.107 -6.566 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.005 19.073 -4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.337 21.497 -4.578 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.744 21.611 -5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.393 22.476 -3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.194 20.931 -3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.060 19.648 -1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.686 19.637 -0.671 1.00 0.00 H new ATOM 669 N ARG A 45 -8.058 19.242 -6.639 1.00 0.00 N ATOM 670 CA ARG A 45 -9.431 18.810 -7.072 1.00 0.00 C ATOM 671 C ARG A 45 -9.646 17.304 -6.854 1.00 0.00 C ATOM 672 O ARG A 45 -10.711 16.870 -6.439 1.00 0.00 O ATOM 673 CB ARG A 45 -9.602 19.134 -8.565 1.00 0.00 C ATOM 674 CG ARG A 45 -11.034 18.793 -9.023 1.00 0.00 C ATOM 675 CD ARG A 45 -11.199 19.085 -10.524 1.00 0.00 C ATOM 676 NE ARG A 45 -12.633 18.919 -10.909 1.00 0.00 N ATOM 677 CZ ARG A 45 -13.102 17.736 -11.194 1.00 0.00 C ATOM 678 NH1 ARG A 45 -12.325 16.688 -11.152 1.00 0.00 N ATOM 679 NH2 ARG A 45 -14.361 17.601 -11.524 1.00 0.00 N ATOM 0 H ARG A 45 -7.473 19.632 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.166 19.345 -6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.398 20.190 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.880 18.567 -9.153 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.246 17.742 -8.825 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.755 19.377 -8.451 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.867 20.099 -10.747 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.574 18.409 -11.108 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.247 19.733 -10.949 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.343 16.791 -10.895 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.700 15.766 -11.376 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.970 18.419 -11.557 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.733 16.678 -11.748 1.00 0.00 H new ATOM 693 N LEU A 46 -8.657 16.502 -7.135 1.00 0.00 N ATOM 694 CA LEU A 46 -8.824 15.028 -6.956 1.00 0.00 C ATOM 695 C LEU A 46 -8.554 14.674 -5.491 1.00 0.00 C ATOM 696 O LEU A 46 -8.757 13.555 -5.054 1.00 0.00 O ATOM 697 CB LEU A 46 -7.820 14.302 -7.868 1.00 0.00 C ATOM 698 CG LEU A 46 -8.006 14.714 -9.341 1.00 0.00 C ATOM 699 CD1 LEU A 46 -6.953 14.008 -10.198 1.00 0.00 C ATOM 700 CD2 LEU A 46 -9.399 14.318 -9.842 1.00 0.00 C ATOM 0 H LEU A 46 -7.744 16.799 -7.479 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.837 14.723 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.803 14.531 -7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.949 13.224 -7.770 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.896 15.796 -9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.080 14.296 -11.241 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.957 14.296 -9.861 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.071 12.929 -10.103 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.510 14.618 -10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.522 13.238 -9.760 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.158 14.816 -9.239 1.00 0.00 H new ATOM 712 N ALA A 47 -8.119 15.626 -4.714 1.00 0.00 N ATOM 713 CA ALA A 47 -7.870 15.318 -3.290 1.00 0.00 C ATOM 714 C ALA A 47 -9.143 15.593 -2.494 1.00 0.00 C ATOM 715 O ALA A 47 -9.282 15.119 -1.409 1.00 0.00 O ATOM 716 CB ALA A 47 -6.709 16.166 -2.751 1.00 0.00 C ATOM 0 H ALA A 47 -7.930 16.586 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.595 14.268 -3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.540 15.926 -1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.806 15.952 -3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.956 17.223 -2.846 1.00 0.00 H new ATOM 722 N ASP A 48 -10.083 16.346 -3.022 1.00 0.00 N ATOM 723 CA ASP A 48 -11.337 16.620 -2.246 1.00 0.00 C ATOM 724 C ASP A 48 -12.388 15.568 -2.609 1.00 0.00 C ATOM 725 O ASP A 48 -13.140 15.100 -1.778 1.00 0.00 O ATOM 726 CB ASP A 48 -11.874 18.012 -2.574 1.00 0.00 C ATOM 727 CG ASP A 48 -10.973 19.074 -1.938 1.00 0.00 C ATOM 728 OD1 ASP A 48 -10.160 18.708 -1.102 1.00 0.00 O ATOM 729 OD2 ASP A 48 -11.109 20.231 -2.295 1.00 0.00 O ATOM 0 H ASP A 48 -10.037 16.778 -3.945 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.115 16.575 -1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.912 18.153 -3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.894 18.116 -2.203 1.00 0.00 H new ATOM 734 N GLN A 49 -12.416 15.176 -3.855 1.00 0.00 N ATOM 735 CA GLN A 49 -13.404 14.141 -4.294 1.00 0.00 C ATOM 736 C GLN A 49 -12.898 12.742 -3.895 1.00 0.00 C ATOM 737 O GLN A 49 -13.518 12.047 -3.116 1.00 0.00 O ATOM 738 CB GLN A 49 -13.568 14.205 -5.814 1.00 0.00 C ATOM 739 CG GLN A 49 -13.778 15.657 -6.239 1.00 0.00 C ATOM 740 CD GLN A 49 -14.972 16.246 -5.484 1.00 0.00 C ATOM 741 OE1 GLN A 49 -16.073 15.742 -5.578 1.00 0.00 O ATOM 742 NE2 GLN A 49 -14.797 17.298 -4.732 1.00 0.00 N ATOM 0 H GLN A 49 -11.800 15.526 -4.589 1.00 0.00 H new ATOM 0 HA GLN A 49 -14.364 14.331 -3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -12.685 13.795 -6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.417 13.597 -6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.881 16.240 -6.032 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.952 15.710 -7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.872 17.721 -4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.585 17.698 -4.223 1.00 0.00 H new ATOM 751 N TYR A 50 -11.776 12.332 -4.429 1.00 0.00 N ATOM 752 CA TYR A 50 -11.223 10.972 -4.111 1.00 0.00 C ATOM 753 C TYR A 50 -10.514 11.006 -2.749 1.00 0.00 C ATOM 754 O TYR A 50 -9.503 10.374 -2.535 1.00 0.00 O ATOM 755 CB TYR A 50 -10.245 10.570 -5.213 1.00 0.00 C ATOM 756 CG TYR A 50 -11.024 10.404 -6.495 1.00 0.00 C ATOM 757 CD1 TYR A 50 -11.885 9.303 -6.657 1.00 0.00 C ATOM 758 CD2 TYR A 50 -10.906 11.358 -7.523 1.00 0.00 C ATOM 759 CE1 TYR A 50 -12.625 9.154 -7.843 1.00 0.00 C ATOM 760 CE2 TYR A 50 -11.651 11.212 -8.709 1.00 0.00 C ATOM 761 CZ TYR A 50 -12.508 10.109 -8.867 1.00 0.00 C ATOM 762 OH TYR A 50 -13.237 9.962 -10.032 1.00 0.00 O ATOM 0 H TYR A 50 -11.212 12.882 -5.077 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.030 10.241 -4.060 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.473 11.330 -5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.739 9.640 -4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -11.978 8.571 -5.869 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.244 12.202 -7.402 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -13.283 8.306 -7.967 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.564 11.946 -9.496 1.00 0.00 H new ATOM 0 HH TYR A 50 -13.042 10.708 -10.637 1.00 0.00 H new ATOM 772 N ARG A 51 -11.052 11.781 -1.858 1.00 0.00 N ATOM 773 CA ARG A 51 -10.496 11.960 -0.480 1.00 0.00 C ATOM 774 C ARG A 51 -10.510 10.657 0.329 1.00 0.00 C ATOM 775 O ARG A 51 -9.645 10.454 1.160 1.00 0.00 O ATOM 776 CB ARG A 51 -11.347 13.032 0.269 1.00 0.00 C ATOM 777 CG ARG A 51 -12.784 12.540 0.483 1.00 0.00 C ATOM 778 CD ARG A 51 -13.590 13.616 1.220 1.00 0.00 C ATOM 779 NE ARG A 51 -14.976 13.123 1.463 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.853 13.899 2.041 1.00 0.00 C ATOM 781 NH1 ARG A 51 -15.519 15.106 2.397 1.00 0.00 N ATOM 782 NH2 ARG A 51 -17.062 13.458 2.264 1.00 0.00 N ATOM 0 H ARG A 51 -11.896 12.327 -2.032 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.457 12.276 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.889 13.258 1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.358 13.959 -0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.249 12.316 -0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.781 11.615 1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.109 13.861 2.167 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.617 14.532 0.630 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.239 12.180 1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.573 15.445 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.204 15.712 2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.318 12.510 1.987 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.750 14.061 2.715 1.00 0.00 H new ATOM 796 N ARG A 52 -11.476 9.795 0.177 1.00 0.00 N ATOM 797 CA ARG A 52 -11.432 8.570 1.016 1.00 0.00 C ATOM 798 C ARG A 52 -10.156 7.802 0.725 1.00 0.00 C ATOM 799 O ARG A 52 -9.637 7.091 1.565 1.00 0.00 O ATOM 800 CB ARG A 52 -12.646 7.691 0.694 1.00 0.00 C ATOM 801 CG ARG A 52 -13.951 8.467 0.944 1.00 0.00 C ATOM 802 CD ARG A 52 -14.287 8.475 2.441 1.00 0.00 C ATOM 803 NE ARG A 52 -15.610 9.130 2.648 1.00 0.00 N ATOM 804 CZ ARG A 52 -15.982 9.475 3.849 1.00 0.00 C ATOM 805 NH1 ARG A 52 -15.203 9.236 4.868 1.00 0.00 N ATOM 806 NH2 ARG A 52 -17.139 10.054 4.033 1.00 0.00 N ATOM 0 H ARG A 52 -12.264 9.879 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.453 8.848 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.602 7.366 -0.345 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.626 6.792 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.849 9.490 0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.767 8.010 0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.310 7.455 2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.514 9.008 2.996 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.223 9.308 1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.302 8.779 4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.495 9.506 5.807 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.751 10.236 3.237 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.430 10.324 4.972 1.00 0.00 H new ATOM 820 N HIS A 53 -9.660 7.927 -0.471 1.00 0.00 N ATOM 821 CA HIS A 53 -8.425 7.198 -0.873 1.00 0.00 C ATOM 822 C HIS A 53 -7.355 7.207 0.223 1.00 0.00 C ATOM 823 O HIS A 53 -6.541 8.105 0.296 1.00 0.00 O ATOM 824 CB HIS A 53 -7.900 7.889 -2.095 1.00 0.00 C ATOM 825 CG HIS A 53 -7.001 6.942 -2.845 1.00 0.00 C ATOM 826 ND1 HIS A 53 -7.192 6.660 -4.193 1.00 0.00 N ATOM 827 CD2 HIS A 53 -5.921 6.194 -2.455 1.00 0.00 C ATOM 828 CE1 HIS A 53 -6.247 5.776 -4.559 1.00 0.00 C ATOM 829 NE2 HIS A 53 -5.450 5.460 -3.538 1.00 0.00 N ATOM 0 H HIS A 53 -10.064 8.514 -1.201 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.665 6.151 -1.059 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -8.726 8.208 -2.731 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.350 8.787 -1.813 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -7.917 7.052 -4.794 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.501 6.177 -1.460 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.146 5.372 -5.556 1.00 0.00 H new ATOM 838 N SER A 54 -7.327 6.206 1.061 1.00 0.00 N ATOM 839 CA SER A 54 -6.300 6.164 2.145 1.00 0.00 C ATOM 840 C SER A 54 -4.872 6.111 1.558 1.00 0.00 C ATOM 841 O SER A 54 -3.977 6.781 2.027 1.00 0.00 O ATOM 842 CB SER A 54 -6.532 4.922 3.007 1.00 0.00 C ATOM 843 OG SER A 54 -5.382 4.688 3.811 1.00 0.00 O ATOM 0 H SER A 54 -7.970 5.415 1.043 1.00 0.00 H new ATOM 0 HA SER A 54 -6.394 7.069 2.745 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.409 5.062 3.638 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.730 4.057 2.374 1.00 0.00 H new ATOM 0 HG SER A 54 -5.527 3.894 4.366 1.00 0.00 H new ATOM 849 N LEU A 55 -4.642 5.291 0.562 1.00 0.00 N ATOM 850 CA LEU A 55 -3.265 5.171 -0.035 1.00 0.00 C ATOM 851 C LEU A 55 -2.814 6.519 -0.648 1.00 0.00 C ATOM 852 O LEU A 55 -1.685 6.671 -1.148 1.00 0.00 O ATOM 853 CB LEU A 55 -3.270 4.155 -1.228 1.00 0.00 C ATOM 854 CG LEU A 55 -3.212 2.650 -0.822 1.00 0.00 C ATOM 855 CD1 LEU A 55 -3.266 1.756 -2.074 1.00 0.00 C ATOM 856 CD2 LEU A 55 -1.923 2.361 -0.051 1.00 0.00 C ATOM 0 H LEU A 55 -5.349 4.695 0.131 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.603 4.852 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.170 4.320 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.419 4.373 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.071 2.432 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.225 0.709 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.194 1.943 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.418 1.983 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.894 1.307 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.063 2.595 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.892 2.975 0.849 1.00 0.00 H new ATOM 868 N PHE A 56 -3.658 7.506 -0.702 1.00 0.00 N ATOM 869 CA PHE A 56 -3.160 8.725 -1.326 1.00 0.00 C ATOM 870 C PHE A 56 -1.893 9.200 -0.607 1.00 0.00 C ATOM 871 O PHE A 56 -1.941 9.553 0.544 1.00 0.00 O ATOM 872 CB PHE A 56 -4.310 9.693 -1.223 1.00 0.00 C ATOM 873 CG PHE A 56 -3.896 11.125 -1.580 1.00 0.00 C ATOM 874 CD1 PHE A 56 -3.758 11.494 -2.944 1.00 0.00 C ATOM 875 CD2 PHE A 56 -3.588 12.082 -0.579 1.00 0.00 C ATOM 876 CE1 PHE A 56 -3.319 12.774 -3.292 1.00 0.00 C ATOM 877 CE2 PHE A 56 -3.162 13.366 -0.952 1.00 0.00 C ATOM 878 CZ PHE A 56 -3.028 13.705 -2.300 1.00 0.00 C ATOM 0 H PHE A 56 -4.618 7.514 -0.358 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.860 8.600 -2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.113 9.373 -1.887 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.709 9.674 -0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.994 10.780 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.681 11.823 0.465 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.205 13.041 -4.332 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.936 14.098 -0.191 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.697 14.696 -2.574 1.00 0.00 H new ATOM 888 N GLY A 57 -0.815 9.282 -1.319 1.00 0.00 N ATOM 889 CA GLY A 57 0.528 9.764 -0.816 1.00 0.00 C ATOM 890 C GLY A 57 1.363 8.831 0.083 1.00 0.00 C ATOM 891 O GLY A 57 2.438 9.258 0.525 1.00 0.00 O ATOM 0 H GLY A 57 -0.795 9.018 -2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.135 10.015 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.361 10.690 -0.266 1.00 0.00 H new ATOM 895 N THR A 58 1.000 7.613 0.411 1.00 0.00 N ATOM 896 CA THR A 58 1.988 6.919 1.308 1.00 0.00 C ATOM 897 C THR A 58 2.986 6.218 0.341 1.00 0.00 C ATOM 898 O THR A 58 4.071 5.894 0.678 1.00 0.00 O ATOM 899 CB THR A 58 1.144 5.895 2.099 1.00 0.00 C ATOM 900 OG1 THR A 58 0.181 6.603 2.862 1.00 0.00 O ATOM 901 CG2 THR A 58 2.023 5.072 3.056 1.00 0.00 C ATOM 0 H THR A 58 0.157 7.109 0.135 1.00 0.00 H new ATOM 0 HA THR A 58 2.538 7.557 1.999 1.00 0.00 H new ATOM 0 HB THR A 58 0.667 5.214 1.394 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.366 5.968 3.370 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.402 4.360 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.778 4.533 2.484 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.513 5.740 3.764 1.00 0.00 H new ATOM 909 N GLY A 59 2.624 6.099 -0.905 1.00 0.00 N ATOM 910 CA GLY A 59 3.474 5.491 -1.992 1.00 0.00 C ATOM 911 C GLY A 59 4.463 6.500 -2.435 1.00 0.00 C ATOM 912 O GLY A 59 5.262 6.304 -3.329 1.00 0.00 O ATOM 0 H GLY A 59 1.715 6.417 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.982 4.600 -1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.851 5.178 -2.830 1.00 0.00 H new ATOM 916 N LYS A 60 4.349 7.584 -1.800 1.00 0.00 N ATOM 917 CA LYS A 60 5.192 8.760 -2.059 1.00 0.00 C ATOM 918 C LYS A 60 6.702 8.481 -1.764 1.00 0.00 C ATOM 919 O LYS A 60 7.557 8.974 -2.473 1.00 0.00 O ATOM 920 CB LYS A 60 4.641 9.863 -1.105 1.00 0.00 C ATOM 921 CG LYS A 60 5.416 11.255 -1.254 1.00 0.00 C ATOM 922 CD LYS A 60 4.776 12.308 -0.327 1.00 0.00 C ATOM 923 CE LYS A 60 5.052 11.981 1.155 1.00 0.00 C ATOM 924 NZ LYS A 60 3.941 11.145 1.690 1.00 0.00 N ATOM 0 H LYS A 60 3.663 7.727 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 60 5.150 9.051 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.582 10.018 -1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.719 9.517 -0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.468 11.125 -1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.377 11.595 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.171 13.295 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.701 12.345 -0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.000 11.452 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.140 12.901 1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.332 11.726 2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.380 10.767 0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.335 10.357 2.243 1.00 0.00 H new ATOM 938 N ASP A 61 7.033 7.701 -0.768 1.00 0.00 N ATOM 939 CA ASP A 61 8.488 7.383 -0.458 1.00 0.00 C ATOM 940 C ASP A 61 9.060 6.466 -1.556 1.00 0.00 C ATOM 941 O ASP A 61 10.227 6.125 -1.551 1.00 0.00 O ATOM 942 CB ASP A 61 8.621 6.701 0.905 1.00 0.00 C ATOM 943 CG ASP A 61 7.636 5.528 0.982 1.00 0.00 C ATOM 944 OD1 ASP A 61 6.720 5.491 0.179 1.00 0.00 O ATOM 945 OD2 ASP A 61 7.817 4.683 1.846 1.00 0.00 O ATOM 0 H ASP A 61 6.361 7.259 -0.141 1.00 0.00 H new ATOM 0 HA ASP A 61 9.048 8.318 -0.429 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.641 6.345 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.418 7.415 1.703 1.00 0.00 H new ATOM 950 N GLN A 62 8.218 5.986 -2.422 1.00 0.00 N ATOM 951 CA GLN A 62 8.656 5.025 -3.489 1.00 0.00 C ATOM 952 C GLN A 62 8.700 5.661 -4.846 1.00 0.00 C ATOM 953 O GLN A 62 7.881 6.465 -5.224 1.00 0.00 O ATOM 954 CB GLN A 62 7.573 3.964 -3.586 1.00 0.00 C ATOM 955 CG GLN A 62 7.510 3.171 -2.226 1.00 0.00 C ATOM 956 CD GLN A 62 6.400 2.110 -2.270 1.00 0.00 C ATOM 957 OE1 GLN A 62 5.269 2.389 -2.859 1.00 0.00 O flip ATOM 958 NE2 GLN A 62 6.566 1.018 -1.765 1.00 0.00 N flip ATOM 0 H GLN A 62 7.225 6.218 -2.443 1.00 0.00 H new ATOM 0 HA GLN A 62 9.647 4.653 -3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.609 4.428 -3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.786 3.283 -4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.470 2.693 -2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.327 3.863 -1.404 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.449 0.798 -1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.822 0.321 -1.802 1.00 0.00 H new ATOM 967 N THR A 63 9.655 5.252 -5.602 1.00 0.00 N ATOM 968 CA THR A 63 9.768 5.789 -6.955 1.00 0.00 C ATOM 969 C THR A 63 8.687 5.182 -7.845 1.00 0.00 C ATOM 970 O THR A 63 8.060 4.206 -7.517 1.00 0.00 O ATOM 971 CB THR A 63 11.184 5.546 -7.515 1.00 0.00 C ATOM 972 OG1 THR A 63 11.287 4.191 -7.931 1.00 0.00 O ATOM 973 CG2 THR A 63 12.243 5.827 -6.441 1.00 0.00 C ATOM 0 H THR A 63 10.363 4.567 -5.338 1.00 0.00 H new ATOM 0 HA THR A 63 9.613 6.868 -6.932 1.00 0.00 H new ATOM 0 HB THR A 63 11.354 6.216 -8.358 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.184 4.026 -8.291 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.236 5.650 -6.854 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.165 6.864 -6.116 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.082 5.166 -5.589 1.00 0.00 H new ATOM 981 N GLU A 64 8.532 5.784 -8.988 1.00 0.00 N ATOM 982 CA GLU A 64 7.563 5.358 -10.044 1.00 0.00 C ATOM 983 C GLU A 64 7.771 3.904 -10.548 1.00 0.00 C ATOM 984 O GLU A 64 6.817 3.190 -10.720 1.00 0.00 O ATOM 985 CB GLU A 64 7.745 6.312 -11.238 1.00 0.00 C ATOM 986 CG GLU A 64 6.627 6.108 -12.267 1.00 0.00 C ATOM 987 CD GLU A 64 5.305 6.616 -11.689 1.00 0.00 C ATOM 988 OE1 GLU A 64 5.338 7.232 -10.635 1.00 0.00 O ATOM 989 OE2 GLU A 64 4.283 6.382 -12.310 1.00 0.00 O ATOM 0 H GLU A 64 9.073 6.608 -9.251 1.00 0.00 H new ATOM 0 HA GLU A 64 6.565 5.393 -9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.742 7.345 -10.889 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.714 6.137 -11.706 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.863 6.642 -13.187 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.542 5.052 -12.524 1.00 0.00 H new ATOM 996 N SER A 65 8.968 3.467 -10.852 1.00 0.00 N ATOM 997 CA SER A 65 9.150 2.100 -11.350 1.00 0.00 C ATOM 998 C SER A 65 8.857 1.081 -10.259 1.00 0.00 C ATOM 999 O SER A 65 8.459 -0.003 -10.540 1.00 0.00 O ATOM 1000 CB SER A 65 10.600 1.977 -11.825 1.00 0.00 C ATOM 1001 OG SER A 65 11.472 2.265 -10.743 1.00 0.00 O ATOM 0 H SER A 65 9.824 4.015 -10.770 1.00 0.00 H new ATOM 0 HA SER A 65 8.459 1.900 -12.169 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.788 0.971 -12.201 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.785 2.665 -12.650 1.00 0.00 H new ATOM 0 HG SER A 65 12.324 1.800 -10.877 1.00 0.00 H new ATOM 1007 N TRP A 66 8.983 1.398 -9.019 1.00 0.00 N ATOM 1008 CA TRP A 66 8.677 0.369 -7.984 1.00 0.00 C ATOM 1009 C TRP A 66 7.190 0.127 -8.085 1.00 0.00 C ATOM 1010 O TRP A 66 6.705 -0.948 -8.105 1.00 0.00 O ATOM 1011 CB TRP A 66 9.075 0.826 -6.581 1.00 0.00 C ATOM 1012 CG TRP A 66 9.029 -0.330 -5.665 1.00 0.00 C ATOM 1013 CD1 TRP A 66 7.927 -0.789 -5.073 1.00 0.00 C ATOM 1014 CD2 TRP A 66 10.127 -1.140 -5.188 1.00 0.00 C ATOM 1015 NE1 TRP A 66 8.257 -1.905 -4.324 1.00 0.00 N ATOM 1016 CE2 TRP A 66 9.612 -2.129 -4.328 1.00 0.00 C ATOM 1017 CE3 TRP A 66 11.513 -1.116 -5.431 1.00 0.00 C ATOM 1018 CZ2 TRP A 66 10.446 -3.061 -3.712 1.00 0.00 C ATOM 1019 CZ3 TRP A 66 12.353 -2.046 -4.811 1.00 0.00 C ATOM 1020 CH2 TRP A 66 11.824 -3.018 -3.946 1.00 0.00 C ATOM 0 H TRP A 66 9.280 2.308 -8.667 1.00 0.00 H new ATOM 0 HA TRP A 66 9.248 -0.543 -8.157 1.00 0.00 H new ATOM 0 HB2 TRP A 66 10.077 1.255 -6.595 1.00 0.00 H new ATOM 0 HB3 TRP A 66 8.399 1.608 -6.234 1.00 0.00 H new ATOM 0 HD1 TRP A 66 6.940 -0.361 -5.163 1.00 0.00 H new ATOM 0 HE1 TRP A 66 7.580 -2.487 -3.831 1.00 0.00 H new ATOM 0 HE3 TRP A 66 11.929 -0.376 -6.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 10.030 -3.812 -3.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 13.416 -2.017 -4.999 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.479 -3.729 -3.464 1.00 0.00 H new ATOM 1031 N TRP A 67 6.460 1.171 -8.135 1.00 0.00 N ATOM 1032 CA TRP A 67 5.011 1.014 -8.187 1.00 0.00 C ATOM 1033 C TRP A 67 4.765 0.291 -9.539 1.00 0.00 C ATOM 1034 O TRP A 67 4.107 -0.744 -9.601 1.00 0.00 O ATOM 1035 CB TRP A 67 4.337 2.399 -8.111 1.00 0.00 C ATOM 1036 CG TRP A 67 3.962 2.813 -6.668 1.00 0.00 C ATOM 1037 CD1 TRP A 67 4.511 3.811 -5.887 1.00 0.00 C ATOM 1038 CD2 TRP A 67 2.926 2.216 -5.820 1.00 0.00 C ATOM 1039 NE1 TRP A 67 3.851 3.884 -4.689 1.00 0.00 N ATOM 1040 CE2 TRP A 67 2.874 2.917 -4.578 1.00 0.00 C ATOM 1041 CE3 TRP A 67 2.015 1.149 -6.017 1.00 0.00 C ATOM 1042 CZ2 TRP A 67 1.961 2.571 -3.576 1.00 0.00 C ATOM 1043 CZ3 TRP A 67 1.097 0.792 -5.006 1.00 0.00 C ATOM 1044 CH2 TRP A 67 1.073 1.501 -3.788 1.00 0.00 C ATOM 0 H TRP A 67 6.802 2.132 -8.142 1.00 0.00 H new ATOM 0 HA TRP A 67 4.591 0.444 -7.358 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.008 3.147 -8.534 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.437 2.393 -8.726 1.00 0.00 H new ATOM 0 HD1 TRP A 67 5.339 4.441 -6.178 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.058 4.572 -3.965 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.023 0.604 -6.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.938 3.121 -2.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.411 -0.027 -5.166 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.371 1.222 -3.016 1.00 0.00 H new ATOM 1055 N LYS A 68 5.398 0.759 -10.600 1.00 0.00 N ATOM 1056 CA LYS A 68 5.251 0.073 -11.946 1.00 0.00 C ATOM 1057 C LYS A 68 5.553 -1.401 -11.741 1.00 0.00 C ATOM 1058 O LYS A 68 4.803 -2.281 -12.108 1.00 0.00 O ATOM 1059 CB LYS A 68 6.255 0.664 -13.014 1.00 0.00 C ATOM 1060 CG LYS A 68 5.831 0.411 -14.523 1.00 0.00 C ATOM 1061 CD LYS A 68 4.682 1.372 -14.959 1.00 0.00 C ATOM 1062 CE LYS A 68 4.198 1.029 -16.378 1.00 0.00 C ATOM 1063 NZ LYS A 68 5.278 1.324 -17.361 1.00 0.00 N ATOM 0 H LYS A 68 6.006 1.578 -10.597 1.00 0.00 H new ATOM 0 HA LYS A 68 4.240 0.230 -12.322 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.349 1.738 -12.851 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.240 0.229 -12.848 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.694 0.554 -15.174 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.508 -0.623 -14.644 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.851 1.296 -14.257 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.032 2.404 -14.928 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.920 -0.023 -16.433 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.306 1.608 -16.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.897 1.254 -18.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.641 2.285 -17.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.051 0.638 -17.243 1.00 0.00 H new ATOM 1077 N ALA A 69 6.688 -1.640 -11.185 1.00 0.00 N ATOM 1078 CA ALA A 69 7.140 -2.996 -10.923 1.00 0.00 C ATOM 1079 C ALA A 69 6.214 -3.673 -9.908 1.00 0.00 C ATOM 1080 O ALA A 69 5.936 -4.840 -10.019 1.00 0.00 O ATOM 1081 CB ALA A 69 8.578 -2.950 -10.417 1.00 0.00 C ATOM 0 H ALA A 69 7.342 -0.914 -10.892 1.00 0.00 H new ATOM 0 HA ALA A 69 7.109 -3.584 -11.841 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.926 -3.963 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.215 -2.490 -11.172 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.622 -2.364 -9.499 1.00 0.00 H new ATOM 1087 N PHE A 70 5.723 -2.952 -8.933 1.00 0.00 N ATOM 1088 CA PHE A 70 4.797 -3.585 -7.918 1.00 0.00 C ATOM 1089 C PHE A 70 3.535 -4.101 -8.612 1.00 0.00 C ATOM 1090 O PHE A 70 3.083 -5.199 -8.365 1.00 0.00 O ATOM 1091 CB PHE A 70 4.365 -2.548 -6.902 1.00 0.00 C ATOM 1092 CG PHE A 70 3.658 -3.136 -5.702 1.00 0.00 C ATOM 1093 CD1 PHE A 70 4.263 -4.191 -4.992 1.00 0.00 C ATOM 1094 CD2 PHE A 70 2.372 -2.688 -5.343 1.00 0.00 C ATOM 1095 CE1 PHE A 70 3.583 -4.797 -3.921 1.00 0.00 C ATOM 1096 CE2 PHE A 70 1.696 -3.290 -4.265 1.00 0.00 C ATOM 1097 CZ PHE A 70 2.300 -4.347 -3.559 1.00 0.00 C ATOM 0 H PHE A 70 5.915 -1.961 -8.788 1.00 0.00 H new ATOM 0 HA PHE A 70 5.329 -4.403 -7.433 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.242 -1.996 -6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.704 -1.829 -7.387 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.249 -4.534 -5.270 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.906 -1.884 -5.894 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.045 -5.607 -3.377 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.715 -2.941 -3.980 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.777 -4.814 -2.737 1.00 0.00 H new ATOM 1107 N SER A 71 2.960 -3.303 -9.484 1.00 0.00 N ATOM 1108 CA SER A 71 1.738 -3.764 -10.197 1.00 0.00 C ATOM 1109 C SER A 71 2.051 -5.052 -10.967 1.00 0.00 C ATOM 1110 O SER A 71 1.243 -5.958 -11.044 1.00 0.00 O ATOM 1111 CB SER A 71 1.284 -2.684 -11.176 1.00 0.00 C ATOM 1112 OG SER A 71 0.847 -1.541 -10.452 1.00 0.00 O ATOM 0 H SER A 71 3.283 -2.366 -9.726 1.00 0.00 H new ATOM 0 HA SER A 71 0.946 -3.957 -9.474 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.104 -2.414 -11.842 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.476 -3.062 -11.802 1.00 0.00 H new ATOM 0 HG SER A 71 0.557 -0.847 -11.080 1.00 0.00 H new ATOM 1118 N ARG A 72 3.222 -5.123 -11.535 1.00 0.00 N ATOM 1119 CA ARG A 72 3.624 -6.340 -12.300 1.00 0.00 C ATOM 1120 C ARG A 72 3.582 -7.581 -11.391 1.00 0.00 C ATOM 1121 O ARG A 72 3.114 -8.633 -11.779 1.00 0.00 O ATOM 1122 CB ARG A 72 5.048 -6.100 -12.846 1.00 0.00 C ATOM 1123 CG ARG A 72 5.514 -7.261 -13.734 1.00 0.00 C ATOM 1124 CD ARG A 72 6.904 -6.949 -14.297 1.00 0.00 C ATOM 1125 NE ARG A 72 6.808 -5.811 -15.254 1.00 0.00 N ATOM 1126 CZ ARG A 72 7.753 -5.618 -16.136 1.00 0.00 C ATOM 1127 NH1 ARG A 72 8.782 -6.423 -16.175 1.00 0.00 N ATOM 1128 NH2 ARG A 72 7.666 -4.625 -16.977 1.00 0.00 N ATOM 0 H ARG A 72 3.925 -4.385 -11.503 1.00 0.00 H new ATOM 0 HA ARG A 72 2.935 -6.521 -13.125 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.068 -5.173 -13.418 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.741 -5.976 -12.014 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.543 -8.185 -13.157 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.807 -7.416 -14.549 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.589 -6.700 -13.486 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.310 -7.827 -14.799 1.00 0.00 H new ATOM 0 HE ARG A 72 6.005 -5.183 -15.221 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.847 -7.200 -15.518 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.520 -6.274 -16.863 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.861 -4.000 -16.946 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.403 -4.474 -17.666 1.00 0.00 H new ATOM 1142 N GLN A 73 4.077 -7.469 -10.192 1.00 0.00 N ATOM 1143 CA GLN A 73 4.063 -8.631 -9.252 1.00 0.00 C ATOM 1144 C GLN A 73 2.640 -9.215 -9.106 1.00 0.00 C ATOM 1145 O GLN A 73 2.453 -10.422 -9.058 1.00 0.00 O ATOM 1146 CB GLN A 73 4.534 -8.165 -7.859 1.00 0.00 C ATOM 1147 CG GLN A 73 5.986 -7.681 -7.880 1.00 0.00 C ATOM 1148 CD GLN A 73 6.430 -7.350 -6.421 1.00 0.00 C ATOM 1149 OE1 GLN A 73 5.815 -7.800 -5.479 1.00 0.00 O ATOM 1150 NE2 GLN A 73 7.463 -6.547 -6.197 1.00 0.00 N ATOM 0 H GLN A 73 4.495 -6.618 -9.817 1.00 0.00 H new ATOM 0 HA GLN A 73 4.725 -9.397 -9.655 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.888 -7.360 -7.508 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.435 -8.986 -7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.633 -8.448 -8.306 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.080 -6.798 -8.512 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.989 -6.162 -6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.731 -6.315 -5.240 1.00 0.00 H new ATOM 1159 N LEU A 74 1.645 -8.365 -8.994 1.00 0.00 N ATOM 1160 CA LEU A 74 0.226 -8.845 -8.837 1.00 0.00 C ATOM 1161 C LEU A 74 -0.283 -9.616 -10.066 1.00 0.00 C ATOM 1162 O LEU A 74 -1.045 -10.554 -9.941 1.00 0.00 O ATOM 1163 CB LEU A 74 -0.685 -7.629 -8.604 1.00 0.00 C ATOM 1164 CG LEU A 74 -0.360 -6.981 -7.229 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -1.068 -5.606 -7.098 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -0.790 -7.903 -6.053 1.00 0.00 C ATOM 0 H LEU A 74 1.753 -7.351 -9.004 1.00 0.00 H new ATOM 0 HA LEU A 74 0.205 -9.530 -7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.544 -6.900 -9.402 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.731 -7.936 -8.633 1.00 0.00 H new ATOM 0 HG LEU A 74 0.720 -6.839 -7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.830 -5.165 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.725 -4.943 -7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.146 -5.743 -7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.549 -7.421 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.864 -8.083 -6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.259 -8.852 -6.122 1.00 0.00 H new ATOM 1178 N ILE A 75 0.079 -9.198 -11.244 1.00 0.00 N ATOM 1179 CA ILE A 75 -0.419 -9.898 -12.472 1.00 0.00 C ATOM 1180 C ILE A 75 0.019 -11.372 -12.513 1.00 0.00 C ATOM 1181 O ILE A 75 -0.760 -12.246 -12.841 1.00 0.00 O ATOM 1182 CB ILE A 75 0.127 -9.181 -13.705 1.00 0.00 C ATOM 1183 CG1 ILE A 75 -0.473 -7.774 -13.778 1.00 0.00 C ATOM 1184 CG2 ILE A 75 -0.250 -9.965 -14.964 1.00 0.00 C ATOM 1185 CD1 ILE A 75 0.240 -6.961 -14.862 1.00 0.00 C ATOM 0 H ILE A 75 0.696 -8.405 -11.416 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.509 -9.874 -12.456 1.00 0.00 H new ATOM 0 HB ILE A 75 1.213 -9.112 -13.636 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.539 -7.834 -13.998 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.374 -7.276 -12.813 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.140 -9.452 -15.843 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.176 -10.967 -14.910 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.335 -10.035 -15.037 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.191 -5.961 -14.909 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.301 -6.888 -14.623 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.118 -7.455 -15.826 1.00 0.00 H new ATOM 1197 N THR A 76 1.261 -11.649 -12.235 1.00 0.00 N ATOM 1198 CA THR A 76 1.750 -13.065 -12.280 1.00 0.00 C ATOM 1199 C THR A 76 1.081 -13.927 -11.197 1.00 0.00 C ATOM 1200 O THR A 76 0.710 -15.054 -11.449 1.00 0.00 O ATOM 1201 CB THR A 76 3.268 -13.083 -12.077 1.00 0.00 C ATOM 1202 OG1 THR A 76 3.888 -12.359 -13.131 1.00 0.00 O ATOM 1203 CG2 THR A 76 3.778 -14.527 -12.080 1.00 0.00 C ATOM 0 H THR A 76 1.965 -10.957 -11.977 1.00 0.00 H new ATOM 0 HA THR A 76 1.492 -13.483 -13.253 1.00 0.00 H new ATOM 0 HB THR A 76 3.510 -12.622 -11.119 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.860 -12.366 -13.005 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.858 -14.532 -11.935 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.301 -15.083 -11.273 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.538 -14.996 -13.034 1.00 0.00 H new ATOM 1211 N GLU A 77 0.949 -13.433 -9.997 1.00 0.00 N ATOM 1212 CA GLU A 77 0.328 -14.271 -8.922 1.00 0.00 C ATOM 1213 C GLU A 77 -1.127 -14.630 -9.269 1.00 0.00 C ATOM 1214 O GLU A 77 -1.648 -15.619 -8.794 1.00 0.00 O ATOM 1215 CB GLU A 77 0.358 -13.493 -7.601 1.00 0.00 C ATOM 1216 CG GLU A 77 1.804 -13.123 -7.255 1.00 0.00 C ATOM 1217 CD GLU A 77 1.820 -12.312 -5.962 1.00 0.00 C ATOM 1218 OE1 GLU A 77 0.761 -12.126 -5.387 1.00 0.00 O ATOM 1219 OE2 GLU A 77 2.893 -11.890 -5.561 1.00 0.00 O ATOM 0 H GLU A 77 1.239 -12.497 -9.712 1.00 0.00 H new ATOM 0 HA GLU A 77 0.896 -15.197 -8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.249 -12.591 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.075 -14.096 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.405 -14.025 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.248 -12.546 -8.066 1.00 0.00 H new ATOM 1226 N GLY A 78 -1.801 -13.841 -10.065 1.00 0.00 N ATOM 1227 CA GLY A 78 -3.224 -14.172 -10.404 1.00 0.00 C ATOM 1228 C GLY A 78 -4.133 -13.245 -9.595 1.00 0.00 C ATOM 1229 O GLY A 78 -5.311 -13.102 -9.863 1.00 0.00 O ATOM 0 H GLY A 78 -1.436 -12.990 -10.493 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.401 -14.042 -11.472 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.438 -15.215 -10.170 1.00 0.00 H new ATOM 1233 N PHE A 79 -3.560 -12.589 -8.629 1.00 0.00 N ATOM 1234 CA PHE A 79 -4.303 -11.630 -7.764 1.00 0.00 C ATOM 1235 C PHE A 79 -4.966 -10.568 -8.648 1.00 0.00 C ATOM 1236 O PHE A 79 -6.034 -10.079 -8.347 1.00 0.00 O ATOM 1237 CB PHE A 79 -3.253 -10.974 -6.855 1.00 0.00 C ATOM 1238 CG PHE A 79 -3.085 -11.759 -5.564 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -2.523 -13.046 -5.609 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -3.491 -11.215 -4.322 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -2.363 -13.793 -4.425 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -3.329 -11.963 -3.140 1.00 0.00 C ATOM 1243 CZ PHE A 79 -2.763 -13.250 -3.192 1.00 0.00 C ATOM 0 H PHE A 79 -2.572 -12.681 -8.394 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.079 -12.123 -7.179 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.298 -10.918 -7.378 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.552 -9.951 -6.627 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.212 -13.464 -6.555 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.925 -10.227 -4.281 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.933 -14.783 -4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.640 -11.548 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.636 -13.821 -2.284 1.00 0.00 H new ATOM 1253 N LEU A 80 -4.322 -10.173 -9.725 1.00 0.00 N ATOM 1254 CA LEU A 80 -4.907 -9.110 -10.606 1.00 0.00 C ATOM 1255 C LEU A 80 -4.748 -9.477 -12.096 1.00 0.00 C ATOM 1256 O LEU A 80 -3.797 -10.107 -12.511 1.00 0.00 O ATOM 1257 CB LEU A 80 -4.165 -7.784 -10.304 1.00 0.00 C ATOM 1258 CG LEU A 80 -4.779 -6.581 -11.051 1.00 0.00 C ATOM 1259 CD1 LEU A 80 -6.122 -6.184 -10.416 1.00 0.00 C ATOM 1260 CD2 LEU A 80 -3.796 -5.392 -11.063 1.00 0.00 C ATOM 0 H LEU A 80 -3.420 -10.540 -10.030 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.974 -9.010 -10.405 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.191 -7.593 -9.231 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.117 -7.886 -10.585 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.967 -6.871 -12.085 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.542 -5.334 -10.954 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.813 -7.025 -10.470 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.964 -5.911 -9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.246 -4.553 -11.594 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.572 -5.095 -10.039 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.875 -5.687 -11.565 1.00 0.00 H new ATOM 1272 N VAL A 81 -5.691 -9.036 -12.886 1.00 0.00 N ATOM 1273 CA VAL A 81 -5.680 -9.277 -14.359 1.00 0.00 C ATOM 1274 C VAL A 81 -5.859 -7.906 -15.020 1.00 0.00 C ATOM 1275 O VAL A 81 -6.601 -7.094 -14.520 1.00 0.00 O ATOM 1276 CB VAL A 81 -6.845 -10.198 -14.750 1.00 0.00 C ATOM 1277 CG1 VAL A 81 -8.164 -9.415 -14.706 1.00 0.00 C ATOM 1278 CG2 VAL A 81 -6.616 -10.738 -16.171 1.00 0.00 C ATOM 0 H VAL A 81 -6.495 -8.501 -12.559 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.753 -9.756 -14.675 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.898 -11.030 -14.047 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.987 -10.073 -14.984 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.328 -9.035 -13.698 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.115 -8.580 -15.405 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.442 -11.392 -16.449 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.560 -9.905 -16.872 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.683 -11.300 -16.201 1.00 0.00 H new ATOM 1288 N GLU A 82 -5.194 -7.610 -16.109 1.00 0.00 N ATOM 1289 CA GLU A 82 -5.391 -6.253 -16.737 1.00 0.00 C ATOM 1290 C GLU A 82 -6.077 -6.362 -18.090 1.00 0.00 C ATOM 1291 O GLU A 82 -5.629 -7.080 -18.963 1.00 0.00 O ATOM 1292 CB GLU A 82 -4.031 -5.560 -16.892 1.00 0.00 C ATOM 1293 CG GLU A 82 -3.459 -5.221 -15.510 1.00 0.00 C ATOM 1294 CD GLU A 82 -2.095 -4.542 -15.671 1.00 0.00 C ATOM 1295 OE1 GLU A 82 -1.634 -4.437 -16.795 1.00 0.00 O ATOM 1296 OE2 GLU A 82 -1.537 -4.136 -14.663 1.00 0.00 O ATOM 0 H GLU A 82 -4.537 -8.228 -16.586 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.034 -5.662 -16.085 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.341 -6.209 -17.432 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.141 -4.651 -17.483 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.143 -4.563 -14.974 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.357 -6.128 -14.915 1.00 0.00 H new ATOM 1303 N VAL A 83 -7.165 -5.642 -18.292 1.00 0.00 N ATOM 1304 CA VAL A 83 -7.842 -5.733 -19.609 1.00 0.00 C ATOM 1305 C VAL A 83 -7.293 -4.629 -20.501 1.00 0.00 C ATOM 1306 O VAL A 83 -7.432 -3.429 -20.258 1.00 0.00 O ATOM 1307 CB VAL A 83 -9.355 -5.594 -19.443 1.00 0.00 C ATOM 1308 CG1 VAL A 83 -10.060 -5.968 -20.751 1.00 0.00 C ATOM 1309 CG2 VAL A 83 -9.829 -6.540 -18.331 1.00 0.00 C ATOM 0 H VAL A 83 -7.595 -5.014 -17.613 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.651 -6.705 -20.063 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.595 -4.562 -19.185 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.138 -5.867 -20.625 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.724 -5.305 -21.548 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.821 -6.999 -21.012 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.908 -6.445 -18.208 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.583 -7.568 -18.598 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.333 -6.280 -17.396 1.00 0.00 H new ATOM 1319 N SER A 84 -6.705 -5.069 -21.553 1.00 0.00 N ATOM 1320 CA SER A 84 -6.120 -4.169 -22.553 1.00 0.00 C ATOM 1321 C SER A 84 -7.191 -3.739 -23.526 1.00 0.00 C ATOM 1322 O SER A 84 -6.959 -2.890 -24.347 1.00 0.00 O ATOM 1323 CB SER A 84 -4.937 -4.820 -23.272 1.00 0.00 C ATOM 1324 OG SER A 84 -4.339 -3.869 -24.141 1.00 0.00 O ATOM 0 H SER A 84 -6.601 -6.060 -21.771 1.00 0.00 H new ATOM 0 HA SER A 84 -5.728 -3.287 -22.047 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.207 -5.177 -22.546 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.273 -5.688 -23.839 1.00 0.00 H new ATOM 0 HG SER A 84 -5.005 -3.198 -24.400 1.00 0.00 H new ATOM 1330 N ARG A 85 -8.334 -4.379 -23.535 1.00 0.00 N ATOM 1331 CA ARG A 85 -9.365 -4.009 -24.550 1.00 0.00 C ATOM 1332 C ARG A 85 -10.193 -2.840 -24.010 1.00 0.00 C ATOM 1333 O ARG A 85 -11.279 -2.503 -24.434 1.00 0.00 O ATOM 1334 CB ARG A 85 -10.280 -5.217 -24.802 1.00 0.00 C ATOM 1335 CG ARG A 85 -9.522 -6.335 -25.580 1.00 0.00 C ATOM 1336 CD ARG A 85 -10.437 -7.554 -25.781 1.00 0.00 C ATOM 1337 NE ARG A 85 -9.703 -8.617 -26.520 1.00 0.00 N ATOM 1338 CZ ARG A 85 -10.300 -9.741 -26.806 1.00 0.00 C ATOM 1339 NH1 ARG A 85 -11.537 -9.934 -26.436 1.00 0.00 N ATOM 1340 NH2 ARG A 85 -9.664 -10.674 -27.460 1.00 0.00 N ATOM 0 H ARG A 85 -8.594 -5.129 -22.895 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.885 -3.718 -25.484 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.640 -5.610 -23.851 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.156 -4.903 -25.370 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.192 -5.956 -26.547 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.628 -6.629 -25.030 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -10.770 -7.933 -24.815 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -11.330 -7.263 -26.335 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.734 -8.467 -26.802 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -12.036 -9.206 -25.924 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.005 -10.812 -26.659 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.697 -10.526 -27.749 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.134 -11.552 -27.682 1.00 0.00 H new ATOM 1354 N TYR A 86 -9.630 -2.339 -22.945 1.00 0.00 N ATOM 1355 CA TYR A 86 -10.177 -1.262 -22.082 1.00 0.00 C ATOM 1356 C TYR A 86 -9.099 -0.287 -21.571 1.00 0.00 C ATOM 1357 O TYR A 86 -8.214 -0.637 -20.816 1.00 0.00 O ATOM 1358 CB TYR A 86 -10.832 -1.981 -20.869 1.00 0.00 C ATOM 1359 CG TYR A 86 -12.243 -2.432 -21.217 1.00 0.00 C ATOM 1360 CD1 TYR A 86 -12.449 -3.605 -21.973 1.00 0.00 C ATOM 1361 CD2 TYR A 86 -13.347 -1.669 -20.785 1.00 0.00 C ATOM 1362 CE1 TYR A 86 -13.757 -4.015 -22.291 1.00 0.00 C ATOM 1363 CE2 TYR A 86 -14.653 -2.083 -21.104 1.00 0.00 C ATOM 1364 CZ TYR A 86 -14.860 -3.253 -21.859 1.00 0.00 C ATOM 1365 OH TYR A 86 -16.140 -3.656 -22.174 1.00 0.00 O ATOM 0 H TYR A 86 -8.724 -2.673 -22.615 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.879 -0.659 -22.658 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.229 -2.842 -20.580 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.860 -1.309 -20.011 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.604 -4.188 -22.307 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.190 -0.768 -20.210 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.915 -4.915 -22.867 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -15.499 -1.502 -20.769 1.00 0.00 H new ATOM 0 HH TYR A 86 -16.785 -3.020 -21.799 1.00 0.00 H new ATOM 1375 N ASN A 87 -9.179 0.918 -22.088 1.00 0.00 N ATOM 1376 CA ASN A 87 -8.224 2.052 -21.823 1.00 0.00 C ATOM 1377 C ASN A 87 -6.838 1.682 -22.367 1.00 0.00 C ATOM 1378 O ASN A 87 -5.908 1.497 -21.608 1.00 0.00 O ATOM 1379 CB ASN A 87 -8.115 2.346 -20.323 1.00 0.00 C ATOM 1380 CG ASN A 87 -9.437 2.931 -19.821 1.00 0.00 C ATOM 1381 OD1 ASN A 87 -9.623 3.119 -18.637 1.00 0.00 O ATOM 1382 ND2 ASN A 87 -10.369 3.234 -20.685 1.00 0.00 N ATOM 0 H ASN A 87 -9.926 1.179 -22.732 1.00 0.00 H new ATOM 0 HA ASN A 87 -8.603 2.944 -22.322 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -7.879 1.432 -19.778 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.301 3.047 -20.137 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.253 3.629 -20.364 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.212 3.076 -21.680 1.00 0.00 H new ATOM 1389 N LYS A 88 -6.648 1.698 -23.665 1.00 0.00 N ATOM 1390 CA LYS A 88 -5.275 1.443 -24.211 1.00 0.00 C ATOM 1391 C LYS A 88 -4.375 2.569 -23.680 1.00 0.00 C ATOM 1392 O LYS A 88 -3.171 2.571 -23.822 1.00 0.00 O ATOM 1393 CB LYS A 88 -5.302 1.492 -25.743 1.00 0.00 C ATOM 1394 CG LYS A 88 -5.960 2.793 -26.218 1.00 0.00 C ATOM 1395 CD LYS A 88 -5.796 2.910 -27.735 1.00 0.00 C ATOM 1396 CE LYS A 88 -6.609 1.809 -28.415 1.00 0.00 C ATOM 1397 NZ LYS A 88 -6.844 2.175 -29.842 1.00 0.00 N ATOM 0 H LYS A 88 -7.372 1.874 -24.362 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.910 0.462 -23.907 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.287 1.425 -26.135 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.851 0.635 -26.132 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.017 2.799 -25.952 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.502 3.649 -25.723 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.133 3.890 -28.075 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.744 2.822 -28.007 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.077 0.859 -28.355 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.561 1.675 -27.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.397 1.426 -30.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.368 3.072 -29.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.931 2.282 -30.328 1.00 0.00 H new ATOM 1411 N PHE A 89 -5.016 3.504 -23.017 1.00 0.00 N ATOM 1412 CA PHE A 89 -4.350 4.687 -22.391 1.00 0.00 C ATOM 1413 C PHE A 89 -3.671 4.150 -21.134 1.00 0.00 C ATOM 1414 O PHE A 89 -2.535 4.443 -20.834 1.00 0.00 O ATOM 1415 CB PHE A 89 -5.386 5.750 -22.023 1.00 0.00 C ATOM 1416 CG PHE A 89 -5.678 6.604 -23.234 1.00 0.00 C ATOM 1417 CD1 PHE A 89 -4.885 7.733 -23.507 1.00 0.00 C ATOM 1418 CD2 PHE A 89 -6.736 6.265 -24.096 1.00 0.00 C ATOM 1419 CE1 PHE A 89 -5.153 8.529 -24.640 1.00 0.00 C ATOM 1420 CE2 PHE A 89 -7.007 7.058 -25.228 1.00 0.00 C ATOM 1421 CZ PHE A 89 -6.213 8.189 -25.501 1.00 0.00 C ATOM 0 H PHE A 89 -6.027 3.490 -22.880 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.638 5.158 -23.069 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.301 5.275 -21.670 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.013 6.370 -21.208 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.069 7.991 -22.848 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.342 5.395 -23.890 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.546 9.398 -24.846 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.823 6.799 -25.886 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.418 8.795 -26.371 1.00 0.00 H new ATOM 1431 N MET A 90 -4.445 3.463 -20.353 1.00 0.00 N ATOM 1432 CA MET A 90 -4.010 2.950 -19.020 1.00 0.00 C ATOM 1433 C MET A 90 -4.548 1.582 -18.617 1.00 0.00 C ATOM 1434 O MET A 90 -4.799 1.281 -17.470 1.00 0.00 O ATOM 1435 CB MET A 90 -4.449 3.942 -17.937 1.00 0.00 C ATOM 1436 CG MET A 90 -3.800 5.328 -18.167 1.00 0.00 C ATOM 1437 SD MET A 90 -4.413 6.498 -16.930 1.00 0.00 S ATOM 1438 CE MET A 90 -3.623 7.984 -17.602 1.00 0.00 C ATOM 0 H MET A 90 -5.407 3.222 -20.591 1.00 0.00 H new ATOM 0 HA MET A 90 -2.929 2.842 -19.111 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.535 4.038 -17.944 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.169 3.562 -16.954 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.715 5.248 -18.101 1.00 0.00 H new ATOM 0 HG3 MET A 90 -4.032 5.688 -19.169 1.00 0.00 H new ATOM 0 HE1 MET A 90 -3.874 8.843 -16.979 1.00 0.00 H new ATOM 0 HE2 MET A 90 -2.542 7.848 -17.614 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.978 8.157 -18.618 1.00 0.00 H new ATOM 1448 N LYS A 91 -4.657 0.755 -19.640 1.00 0.00 N ATOM 1449 CA LYS A 91 -5.093 -0.661 -19.509 1.00 0.00 C ATOM 1450 C LYS A 91 -6.013 -0.889 -18.326 1.00 0.00 C ATOM 1451 O LYS A 91 -5.519 -1.164 -17.257 1.00 0.00 O ATOM 1452 CB LYS A 91 -3.832 -1.578 -19.396 1.00 0.00 C ATOM 1453 CG LYS A 91 -2.943 -1.579 -20.698 1.00 0.00 C ATOM 1454 CD LYS A 91 -1.696 -2.496 -20.516 1.00 0.00 C ATOM 1455 CE LYS A 91 -0.645 -1.860 -19.571 1.00 0.00 C ATOM 1456 NZ LYS A 91 0.619 -2.642 -19.642 1.00 0.00 N ATOM 0 H LYS A 91 -4.449 1.029 -20.600 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.668 -0.912 -20.401 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.227 -1.249 -18.551 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.151 -2.598 -19.181 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.533 -1.925 -21.547 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.622 -0.562 -20.926 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.009 -3.460 -20.115 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.241 -2.688 -21.488 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.462 -0.824 -19.857 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.020 -1.846 -18.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.326 -2.217 -19.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.437 -3.623 -19.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.979 -2.633 -20.618 1.00 0.00 H new ATOM 1470 N ILE A 92 -7.349 -0.842 -18.423 1.00 0.00 N ATOM 1471 CA ILE A 92 -8.028 -1.127 -17.116 1.00 0.00 C ATOM 1472 C ILE A 92 -7.473 -2.282 -16.283 1.00 0.00 C ATOM 1473 O ILE A 92 -7.330 -3.398 -16.743 1.00 0.00 O ATOM 1474 CB ILE A 92 -9.575 -1.267 -17.362 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -10.203 0.064 -17.865 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -10.273 -1.730 -16.071 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -10.019 1.184 -16.824 1.00 0.00 C ATOM 0 H ILE A 92 -7.923 -0.645 -19.243 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.808 -0.268 -16.483 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.722 -2.014 -18.142 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.739 0.357 -18.807 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -11.265 -0.082 -18.065 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.344 -1.824 -16.250 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.870 -2.695 -15.766 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -10.100 -0.999 -15.282 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.466 2.105 -17.198 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -10.505 0.897 -15.891 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.956 1.343 -16.645 1.00 0.00 H new ATOM 1489 N CYS A 93 -7.322 -2.043 -14.987 1.00 0.00 N ATOM 1490 CA CYS A 93 -6.899 -3.144 -14.109 1.00 0.00 C ATOM 1491 C CYS A 93 -8.252 -3.732 -13.669 1.00 0.00 C ATOM 1492 O CYS A 93 -9.175 -2.992 -13.395 1.00 0.00 O ATOM 1493 CB CYS A 93 -6.114 -2.608 -12.904 1.00 0.00 C ATOM 1494 SG CYS A 93 -4.362 -2.465 -13.346 1.00 0.00 S ATOM 0 H CYS A 93 -7.475 -1.144 -14.529 1.00 0.00 H new ATOM 0 HA CYS A 93 -6.238 -3.867 -14.587 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -6.506 -1.636 -12.603 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -6.232 -3.277 -12.052 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.694 -2.009 -12.328 1.00 0.00 H new ATOM 1500 N ALA A 94 -8.418 -5.021 -13.656 1.00 0.00 N ATOM 1501 CA ALA A 94 -9.747 -5.600 -13.269 1.00 0.00 C ATOM 1502 C ALA A 94 -9.614 -6.574 -12.104 1.00 0.00 C ATOM 1503 O ALA A 94 -8.707 -7.383 -12.040 1.00 0.00 O ATOM 1504 CB ALA A 94 -10.326 -6.342 -14.478 1.00 0.00 C ATOM 0 H ALA A 94 -7.699 -5.704 -13.894 1.00 0.00 H new ATOM 0 HA ALA A 94 -10.403 -4.787 -12.957 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.293 -6.769 -14.214 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.452 -5.645 -15.307 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.646 -7.140 -14.775 1.00 0.00 H new ATOM 1510 N LEU A 95 -10.542 -6.509 -11.185 1.00 0.00 N ATOM 1511 CA LEU A 95 -10.517 -7.425 -10.003 1.00 0.00 C ATOM 1512 C LEU A 95 -11.121 -8.770 -10.418 1.00 0.00 C ATOM 1513 O LEU A 95 -12.140 -8.823 -11.088 1.00 0.00 O ATOM 1514 CB LEU A 95 -11.323 -6.799 -8.846 1.00 0.00 C ATOM 1515 CG LEU A 95 -10.566 -5.608 -8.246 1.00 0.00 C ATOM 1516 CD1 LEU A 95 -11.509 -4.766 -7.371 1.00 0.00 C ATOM 1517 CD2 LEU A 95 -9.408 -6.136 -7.393 1.00 0.00 C ATOM 0 H LEU A 95 -11.324 -5.854 -11.202 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.493 -7.579 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -12.297 -6.472 -9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -11.505 -7.548 -8.075 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.182 -4.980 -9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.960 -3.923 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.334 -4.395 -7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.902 -5.382 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.862 -5.297 -6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.802 -6.763 -6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.735 -6.724 -8.017 1.00 0.00 H new ATOM 1529 N THR A 96 -10.503 -9.864 -10.044 1.00 0.00 N ATOM 1530 CA THR A 96 -11.036 -11.221 -10.410 1.00 0.00 C ATOM 1531 C THR A 96 -11.403 -12.004 -9.146 1.00 0.00 C ATOM 1532 O THR A 96 -11.125 -11.586 -8.036 1.00 0.00 O ATOM 1533 CB THR A 96 -9.956 -11.984 -11.180 1.00 0.00 C ATOM 1534 OG1 THR A 96 -8.735 -11.942 -10.447 1.00 0.00 O ATOM 1535 CG2 THR A 96 -9.754 -11.344 -12.553 1.00 0.00 C ATOM 0 H THR A 96 -9.643 -9.878 -9.495 1.00 0.00 H new ATOM 0 HA THR A 96 -11.928 -11.105 -11.025 1.00 0.00 H new ATOM 0 HB THR A 96 -10.266 -13.021 -11.311 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.042 -12.432 -10.937 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.984 -11.889 -13.099 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.689 -11.379 -13.112 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.444 -10.306 -12.429 1.00 0.00 H new ATOM 1543 N LYS A 97 -12.025 -13.140 -9.309 1.00 0.00 N ATOM 1544 CA LYS A 97 -12.412 -13.972 -8.127 1.00 0.00 C ATOM 1545 C LYS A 97 -11.246 -14.017 -7.139 1.00 0.00 C ATOM 1546 O LYS A 97 -11.437 -14.052 -5.940 1.00 0.00 O ATOM 1547 CB LYS A 97 -12.739 -15.393 -8.584 1.00 0.00 C ATOM 1548 CG LYS A 97 -13.860 -15.350 -9.635 1.00 0.00 C ATOM 1549 CD LYS A 97 -15.209 -14.994 -8.983 1.00 0.00 C ATOM 1550 CE LYS A 97 -16.361 -15.349 -9.927 1.00 0.00 C ATOM 1551 NZ LYS A 97 -16.324 -14.451 -11.115 1.00 0.00 N ATOM 0 H LYS A 97 -12.284 -13.532 -10.214 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.287 -13.535 -7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.851 -15.865 -9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.048 -15.998 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.617 -14.615 -10.402 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -13.935 -16.317 -10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.320 -15.533 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.238 -13.930 -8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -16.280 -16.389 -10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.315 -15.246 -9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -17.171 -14.610 -11.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.301 -13.460 -10.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.474 -14.655 -11.678 1.00 0.00 H new ATOM 1565 N LYS A 98 -10.039 -14.021 -7.636 1.00 0.00 N ATOM 1566 CA LYS A 98 -8.847 -14.073 -6.740 1.00 0.00 C ATOM 1567 C LYS A 98 -8.878 -12.886 -5.772 1.00 0.00 C ATOM 1568 O LYS A 98 -8.661 -13.037 -4.586 1.00 0.00 O ATOM 1569 CB LYS A 98 -7.557 -14.071 -7.613 1.00 0.00 C ATOM 1570 CG LYS A 98 -7.677 -14.929 -8.899 1.00 0.00 C ATOM 1571 CD LYS A 98 -7.931 -16.400 -8.544 1.00 0.00 C ATOM 1572 CE LYS A 98 -7.969 -17.234 -9.830 1.00 0.00 C ATOM 1573 NZ LYS A 98 -9.162 -16.857 -10.637 1.00 0.00 N ATOM 0 H LYS A 98 -9.825 -13.990 -8.633 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.857 -14.986 -6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.319 -13.045 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.724 -14.441 -7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.491 -14.553 -9.519 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.763 -14.844 -9.487 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.146 -16.767 -7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.874 -16.498 -8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.060 -17.070 -10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.004 -18.296 -9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.341 -17.588 -11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.991 -16.774 -10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.989 -15.945 -11.107 1.00 0.00 H new ATOM 1587 N GLY A 99 -9.076 -11.707 -6.273 1.00 0.00 N ATOM 1588 CA GLY A 99 -9.062 -10.510 -5.374 1.00 0.00 C ATOM 1589 C GLY A 99 -10.487 -10.154 -4.916 1.00 0.00 C ATOM 1590 O GLY A 99 -10.655 -9.615 -3.863 1.00 0.00 O ATOM 0 H GLY A 99 -9.247 -11.511 -7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.435 -10.710 -4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.621 -9.662 -5.897 1.00 0.00 H new ATOM 1594 N ARG A 100 -11.505 -10.477 -5.668 1.00 0.00 N ATOM 1595 CA ARG A 100 -12.911 -10.137 -5.226 1.00 0.00 C ATOM 1596 C ARG A 100 -13.260 -10.955 -3.977 1.00 0.00 C ATOM 1597 O ARG A 100 -13.829 -10.445 -2.980 1.00 0.00 O ATOM 1598 CB ARG A 100 -13.894 -10.485 -6.349 1.00 0.00 C ATOM 1599 CG ARG A 100 -15.305 -10.072 -5.938 1.00 0.00 C ATOM 1600 CD ARG A 100 -16.264 -10.280 -7.114 1.00 0.00 C ATOM 1601 NE ARG A 100 -15.928 -9.325 -8.203 1.00 0.00 N ATOM 1602 CZ ARG A 100 -16.636 -9.308 -9.301 1.00 0.00 C ATOM 1603 NH1 ARG A 100 -17.633 -10.139 -9.446 1.00 0.00 N ATOM 1604 NH2 ARG A 100 -16.345 -8.463 -10.248 1.00 0.00 N ATOM 0 H ARG A 100 -11.436 -10.958 -6.565 1.00 0.00 H new ATOM 0 HA ARG A 100 -12.976 -9.073 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -13.608 -9.974 -7.268 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -13.863 -11.555 -6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -15.632 -10.660 -5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -15.313 -9.027 -5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -16.192 -11.304 -7.479 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -17.293 -10.129 -6.789 1.00 0.00 H new ATOM 0 HE ARG A 100 -15.144 -8.682 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -17.858 -10.800 -8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -18.187 -10.127 -10.303 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -15.565 -7.816 -10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -16.897 -8.448 -11.106 1.00 0.00 H new ATOM 1618 N ASN A 101 -12.873 -12.217 -3.981 1.00 0.00 N ATOM 1619 CA ASN A 101 -13.140 -13.063 -2.796 1.00 0.00 C ATOM 1620 C ASN A 101 -12.344 -12.434 -1.674 1.00 0.00 C ATOM 1621 O ASN A 101 -12.832 -12.215 -0.592 1.00 0.00 O ATOM 1622 CB ASN A 101 -12.673 -14.506 -3.040 1.00 0.00 C ATOM 1623 CG ASN A 101 -13.583 -15.171 -4.079 1.00 0.00 C ATOM 1624 OD1 ASN A 101 -14.835 -14.812 -4.155 1.00 0.00 O flip ATOM 1625 ND2 ASN A 101 -13.149 -16.024 -4.824 1.00 0.00 N flip ATOM 0 H ASN A 101 -12.390 -12.680 -4.751 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.204 -13.114 -2.567 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -11.641 -14.511 -3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.696 -15.069 -2.107 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -12.170 -16.304 -4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.763 -16.462 -5.511 1.00 0.00 H new ATOM 1632 N TRP A 102 -11.135 -12.020 -1.966 1.00 0.00 N ATOM 1633 CA TRP A 102 -10.354 -11.342 -0.913 1.00 0.00 C ATOM 1634 C TRP A 102 -11.011 -10.001 -0.512 1.00 0.00 C ATOM 1635 O TRP A 102 -11.046 -9.629 0.642 1.00 0.00 O ATOM 1636 CB TRP A 102 -8.922 -11.054 -1.387 1.00 0.00 C ATOM 1637 CG TRP A 102 -8.189 -10.406 -0.248 1.00 0.00 C ATOM 1638 CD1 TRP A 102 -7.518 -11.066 0.702 1.00 0.00 C ATOM 1639 CD2 TRP A 102 -8.134 -9.004 0.120 1.00 0.00 C ATOM 1640 NE1 TRP A 102 -7.035 -10.166 1.635 1.00 0.00 N ATOM 1641 CE2 TRP A 102 -7.386 -8.877 1.319 1.00 0.00 C ATOM 1642 CE3 TRP A 102 -8.647 -7.838 -0.469 1.00 0.00 C ATOM 1643 CZ2 TRP A 102 -7.160 -7.629 1.918 1.00 0.00 C ATOM 1644 CZ3 TRP A 102 -8.425 -6.584 0.125 1.00 0.00 C ATOM 1645 CH2 TRP A 102 -7.687 -6.477 1.311 1.00 0.00 C ATOM 0 H TRP A 102 -10.673 -12.123 -2.869 1.00 0.00 H new ATOM 0 HA TRP A 102 -10.330 -12.013 -0.054 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.425 -11.977 -1.687 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.931 -10.399 -2.258 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.375 -12.136 0.736 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.487 -10.427 2.455 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.216 -7.905 -1.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.589 -7.555 2.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.827 -5.694 -0.337 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -7.523 -5.508 1.759 1.00 0.00 H new ATOM 1656 N LEU A 103 -11.506 -9.280 -1.497 1.00 0.00 N ATOM 1657 CA LEU A 103 -12.137 -7.942 -1.276 1.00 0.00 C ATOM 1658 C LEU A 103 -13.303 -8.060 -0.282 1.00 0.00 C ATOM 1659 O LEU A 103 -13.450 -7.246 0.610 1.00 0.00 O ATOM 1660 CB LEU A 103 -12.695 -7.428 -2.620 1.00 0.00 C ATOM 1661 CG LEU A 103 -13.271 -5.990 -2.476 1.00 0.00 C ATOM 1662 CD1 LEU A 103 -12.155 -4.995 -2.141 1.00 0.00 C ATOM 1663 CD2 LEU A 103 -13.931 -5.568 -3.796 1.00 0.00 C ATOM 0 H LEU A 103 -11.496 -9.578 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.388 -7.258 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.905 -7.433 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.475 -8.102 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 103 -14.005 -5.990 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.577 -3.995 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.682 -5.282 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.412 -5.000 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -14.335 -4.561 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.190 -5.584 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -14.738 -6.260 -4.037 1.00 0.00 H new ATOM 1675 N HIS A 104 -14.143 -9.046 -0.433 1.00 0.00 N ATOM 1676 CA HIS A 104 -15.298 -9.197 0.504 1.00 0.00 C ATOM 1677 C HIS A 104 -15.038 -10.187 1.658 1.00 0.00 C ATOM 1678 O HIS A 104 -15.878 -10.326 2.527 1.00 0.00 O ATOM 1679 CB HIS A 104 -16.515 -9.687 -0.289 1.00 0.00 C ATOM 1680 CG HIS A 104 -16.899 -8.659 -1.323 1.00 0.00 C ATOM 1681 ND1 HIS A 104 -17.741 -7.594 -1.035 1.00 0.00 N ATOM 1682 CD2 HIS A 104 -16.565 -8.525 -2.651 1.00 0.00 C ATOM 1683 CE1 HIS A 104 -17.887 -6.872 -2.165 1.00 0.00 C ATOM 1684 NE2 HIS A 104 -17.190 -7.399 -3.176 1.00 0.00 N ATOM 0 H HIS A 104 -14.082 -9.755 -1.164 1.00 0.00 H new ATOM 0 HA HIS A 104 -15.465 -8.219 0.954 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -16.286 -10.636 -0.774 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -17.352 -9.867 0.386 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -15.917 -9.192 -3.201 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -18.491 -5.980 -2.243 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -17.129 -7.049 -4.132 1.00 0.00 H new ATOM 1693 N LYS A 105 -13.939 -10.928 1.673 1.00 0.00 N ATOM 1694 CA LYS A 105 -13.726 -11.918 2.791 1.00 0.00 C ATOM 1695 C LYS A 105 -12.555 -11.533 3.701 1.00 0.00 C ATOM 1696 O LYS A 105 -12.688 -11.580 4.905 1.00 0.00 O ATOM 1697 CB LYS A 105 -13.525 -13.336 2.193 1.00 0.00 C ATOM 1698 CG LYS A 105 -14.799 -13.829 1.478 1.00 0.00 C ATOM 1699 CD LYS A 105 -14.557 -15.221 0.889 1.00 0.00 C ATOM 1700 CE LYS A 105 -15.816 -15.685 0.161 1.00 0.00 C ATOM 1701 NZ LYS A 105 -15.575 -17.034 -0.426 1.00 0.00 N ATOM 0 H LYS A 105 -13.197 -10.890 0.974 1.00 0.00 H new ATOM 0 HA LYS A 105 -14.616 -11.911 3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -12.693 -13.321 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.258 -14.033 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.632 -13.861 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.076 -13.132 0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.713 -15.195 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.301 -15.924 1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.658 -15.722 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.079 -14.976 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.431 -17.354 -0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.783 -16.984 -1.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.344 -17.706 0.333 1.00 0.00 H new ATOM 1715 N ALA A 106 -11.407 -11.201 3.165 1.00 0.00 N ATOM 1716 CA ALA A 106 -10.249 -10.860 4.114 1.00 0.00 C ATOM 1717 C ALA A 106 -10.356 -9.418 4.610 1.00 0.00 C ATOM 1718 O ALA A 106 -9.447 -8.877 5.206 1.00 0.00 O ATOM 1719 CB ALA A 106 -8.878 -11.008 3.428 1.00 0.00 C ATOM 0 H ALA A 106 -11.205 -11.146 2.167 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.323 -11.562 4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.088 -10.757 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.749 -12.036 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.825 -10.336 2.572 1.00 0.00 H new ATOM 1725 N ASN A 107 -11.436 -8.800 4.324 1.00 0.00 N ATOM 1726 CA ASN A 107 -11.646 -7.381 4.727 1.00 0.00 C ATOM 1727 C ASN A 107 -11.588 -7.213 6.257 1.00 0.00 C ATOM 1728 O ASN A 107 -11.467 -6.109 6.746 1.00 0.00 O ATOM 1729 CB ASN A 107 -13.017 -6.917 4.216 1.00 0.00 C ATOM 1730 CG ASN A 107 -13.155 -5.400 4.415 1.00 0.00 C ATOM 1731 OD1 ASN A 107 -12.168 -4.693 4.479 1.00 0.00 O ATOM 1732 ND2 ASN A 107 -14.341 -4.868 4.523 1.00 0.00 N ATOM 0 H ASN A 107 -12.215 -9.216 3.813 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.849 -6.778 4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -13.127 -7.167 3.161 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -13.811 -7.438 4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -14.438 -3.862 4.661 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -15.171 -5.458 4.470 1.00 0.00 H new ATOM 1739 N THR A 108 -11.657 -8.276 7.030 1.00 0.00 N ATOM 1740 CA THR A 108 -11.585 -8.098 8.519 1.00 0.00 C ATOM 1741 C THR A 108 -10.160 -7.672 8.924 1.00 0.00 C ATOM 1742 O THR A 108 -9.816 -6.509 8.854 1.00 0.00 O ATOM 1743 CB THR A 108 -11.930 -9.423 9.196 1.00 0.00 C ATOM 1744 OG1 THR A 108 -11.355 -9.454 10.495 1.00 0.00 O ATOM 1745 CG2 THR A 108 -11.379 -10.581 8.360 1.00 0.00 C ATOM 0 H THR A 108 -11.758 -9.237 6.704 1.00 0.00 H new ATOM 0 HA THR A 108 -12.291 -7.328 8.829 1.00 0.00 H new ATOM 0 HB THR A 108 -13.013 -9.521 9.278 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.577 -10.303 10.931 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.625 -11.527 8.842 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.823 -10.555 7.365 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.296 -10.487 8.277 1.00 0.00 H new ATOM 1753 N GLU A 109 -9.319 -8.597 9.323 1.00 0.00 N ATOM 1754 CA GLU A 109 -7.949 -8.251 9.696 1.00 0.00 C ATOM 1755 C GLU A 109 -7.004 -9.342 9.172 1.00 0.00 C ATOM 1756 O GLU A 109 -6.440 -10.104 9.932 1.00 0.00 O ATOM 1757 CB GLU A 109 -7.917 -8.215 11.227 1.00 0.00 C ATOM 1758 CG GLU A 109 -8.765 -7.040 11.750 1.00 0.00 C ATOM 1759 CD GLU A 109 -8.736 -6.994 13.283 1.00 0.00 C ATOM 1760 OE1 GLU A 109 -8.094 -7.844 13.872 1.00 0.00 O ATOM 1761 OE2 GLU A 109 -9.345 -6.093 13.839 1.00 0.00 O ATOM 0 H GLU A 109 -9.547 -9.588 9.401 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.637 -7.294 9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.298 -9.154 11.628 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.889 -8.114 11.574 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.385 -6.102 11.345 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.793 -7.144 11.403 1.00 0.00 H new ATOM 1768 N SER A 110 -6.817 -9.427 7.882 1.00 0.00 N ATOM 1769 CA SER A 110 -5.895 -10.472 7.350 1.00 0.00 C ATOM 1770 C SER A 110 -4.968 -9.802 6.340 1.00 0.00 C ATOM 1771 O SER A 110 -5.409 -9.294 5.340 1.00 0.00 O ATOM 1772 CB SER A 110 -6.708 -11.566 6.653 1.00 0.00 C ATOM 1773 OG SER A 110 -7.573 -12.181 7.596 1.00 0.00 O ATOM 0 H SER A 110 -7.255 -8.828 7.183 1.00 0.00 H new ATOM 0 HA SER A 110 -5.320 -10.924 8.158 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.288 -11.139 5.835 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.040 -12.309 6.216 1.00 0.00 H new ATOM 0 HG SER A 110 -8.096 -12.881 7.152 1.00 0.00 H new ATOM 1779 N GLN A 111 -3.690 -9.772 6.626 1.00 0.00 N ATOM 1780 CA GLN A 111 -2.709 -9.096 5.714 1.00 0.00 C ATOM 1781 C GLN A 111 -1.523 -10.029 5.488 1.00 0.00 C ATOM 1782 O GLN A 111 -0.584 -9.953 6.236 1.00 0.00 O ATOM 1783 CB GLN A 111 -2.191 -7.843 6.419 1.00 0.00 C ATOM 1784 CG GLN A 111 -1.275 -7.029 5.488 1.00 0.00 C ATOM 1785 CD GLN A 111 -0.731 -5.794 6.210 1.00 0.00 C ATOM 1786 OE1 GLN A 111 -1.051 -4.607 5.781 1.00 0.00 O flip ATOM 1787 NE2 GLN A 111 0.001 -5.912 7.173 1.00 0.00 N flip ATOM 0 H GLN A 111 -3.278 -10.190 7.460 1.00 0.00 H new ATOM 0 HA GLN A 111 -3.185 -8.847 4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -3.031 -7.227 6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -1.643 -8.127 7.318 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -0.448 -7.652 5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.829 -6.723 4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 111 0.253 -6.841 7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 111 0.363 -5.082 7.643 1.00 0.00 H new ATOM 1796 N SER A 112 -1.508 -10.884 4.462 1.00 0.00 N ATOM 1797 CA SER A 112 -0.279 -11.742 4.284 1.00 0.00 C ATOM 1798 C SER A 112 -0.145 -12.132 2.799 1.00 0.00 C ATOM 1799 O SER A 112 -1.048 -12.622 2.156 1.00 0.00 O ATOM 1800 CB SER A 112 -0.456 -13.005 5.139 1.00 0.00 C ATOM 1801 OG SER A 112 -0.995 -12.663 6.404 1.00 0.00 O ATOM 0 H SER A 112 -2.254 -11.015 3.779 1.00 0.00 H new ATOM 0 HA SER A 112 0.617 -11.203 4.591 1.00 0.00 H new ATOM 0 HB2 SER A 112 -1.116 -13.708 4.631 1.00 0.00 H new ATOM 0 HB3 SER A 112 0.504 -13.505 5.267 1.00 0.00 H new ATOM 0 HG SER A 112 -1.106 -13.474 6.942 1.00 0.00 H new ATOM 1807 N LEU A 113 1.040 -11.945 2.306 1.00 0.00 N ATOM 1808 CA LEU A 113 1.449 -12.282 0.913 1.00 0.00 C ATOM 1809 C LEU A 113 2.977 -12.284 1.009 1.00 0.00 C ATOM 1810 O LEU A 113 3.550 -11.215 1.089 1.00 0.00 O ATOM 1811 CB LEU A 113 1.000 -11.159 -0.074 1.00 0.00 C ATOM 1812 CG LEU A 113 1.330 -11.461 -1.546 1.00 0.00 C ATOM 1813 CD1 LEU A 113 0.920 -12.890 -1.913 1.00 0.00 C ATOM 1814 CD2 LEU A 113 0.605 -10.464 -2.463 1.00 0.00 C ATOM 0 H LEU A 113 1.799 -11.541 2.854 1.00 0.00 H new ATOM 0 HA LEU A 113 1.018 -13.216 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.075 -11.009 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.480 -10.223 0.212 1.00 0.00 H new ATOM 0 HG LEU A 113 2.407 -11.362 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.163 -13.081 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.458 -13.597 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.153 -13.011 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.845 -10.686 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.471 -10.548 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.927 -9.450 -2.225 1.00 0.00 H new ATOM 1826 N ILE A 114 3.682 -13.365 0.796 1.00 0.00 N ATOM 1827 CA ILE A 114 5.161 -13.167 0.797 1.00 0.00 C ATOM 1828 C ILE A 114 5.184 -12.841 -0.701 1.00 0.00 C ATOM 1829 O ILE A 114 4.462 -13.472 -1.441 1.00 0.00 O ATOM 1830 CB ILE A 114 5.904 -14.469 1.243 1.00 0.00 C ATOM 1831 CG1 ILE A 114 5.562 -14.800 2.705 1.00 0.00 C ATOM 1832 CG2 ILE A 114 7.410 -14.322 1.117 1.00 0.00 C ATOM 1833 CD1 ILE A 114 6.087 -16.194 3.080 1.00 0.00 C ATOM 0 H ILE A 114 3.333 -14.309 0.633 1.00 0.00 H new ATOM 0 HA ILE A 114 5.641 -12.447 1.460 1.00 0.00 H new ATOM 0 HB ILE A 114 5.572 -15.273 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.999 -14.051 3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.482 -14.761 2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.894 -15.245 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.670 -14.116 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.749 -13.499 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.835 -16.410 4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.629 -16.942 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.170 -16.221 2.956 1.00 0.00 H new ATOM 1845 N LEU A 115 5.784 -11.744 -1.147 1.00 0.00 N ATOM 1846 CA LEU A 115 5.631 -11.418 -2.631 1.00 0.00 C ATOM 1847 C LEU A 115 6.787 -11.730 -3.567 1.00 0.00 C ATOM 1848 O LEU A 115 7.927 -11.997 -3.185 1.00 0.00 O ATOM 1849 CB LEU A 115 5.475 -9.896 -2.712 1.00 0.00 C ATOM 1850 CG LEU A 115 3.988 -9.434 -2.465 1.00 0.00 C ATOM 1851 CD1 LEU A 115 2.940 -8.346 -2.100 1.00 0.00 C ATOM 1852 CD2 LEU A 115 5.260 -8.718 -2.953 1.00 0.00 C ATOM 0 H LEU A 115 6.341 -11.093 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 115 4.803 -12.045 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.126 -9.426 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.802 -9.551 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 115 3.147 -10.103 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.941 -8.782 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.147 -7.961 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.996 -7.531 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.033 -7.672 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.029 -8.778 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.620 -9.196 -3.864 1.00 0.00 H new ATOM 1864 N GLN A 116 6.485 -11.493 -4.791 1.00 0.00 N ATOM 1865 CA GLN A 116 7.460 -11.630 -5.857 1.00 0.00 C ATOM 1866 C GLN A 116 8.342 -10.424 -5.650 1.00 0.00 C ATOM 1867 O GLN A 116 7.756 -9.398 -5.492 1.00 0.00 O ATOM 1868 CB GLN A 116 6.737 -11.379 -7.179 1.00 0.00 C ATOM 1869 CG GLN A 116 7.733 -11.357 -8.343 1.00 0.00 C ATOM 1870 CD GLN A 116 6.979 -11.270 -9.672 1.00 0.00 C ATOM 1871 OE1 GLN A 116 6.148 -12.104 -9.968 1.00 0.00 O ATOM 1872 NE2 GLN A 116 7.231 -10.284 -10.487 1.00 0.00 N ATOM 0 H GLN A 116 5.560 -11.197 -5.102 1.00 0.00 H new ATOM 0 HA GLN A 116 7.970 -12.593 -5.863 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.992 -12.157 -7.346 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.202 -10.430 -7.133 1.00 0.00 H new ATOM 0 HG2 GLN A 116 8.407 -10.506 -8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.349 -12.256 -8.323 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.929 -9.583 -10.239 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.730 -10.214 -11.373 1.00 0.00 H new ATOM 1881 N ALA A 117 9.648 -10.475 -5.649 1.00 0.00 N ATOM 1882 CA ALA A 117 10.424 -9.191 -5.478 1.00 0.00 C ATOM 1883 C ALA A 117 10.425 -8.360 -6.789 1.00 0.00 C ATOM 1884 O ALA A 117 10.358 -8.923 -7.864 1.00 0.00 O ATOM 1885 CB ALA A 117 11.877 -9.493 -5.109 1.00 0.00 C ATOM 0 H ALA A 117 10.207 -11.321 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 117 9.940 -8.623 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 117 12.424 -8.558 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 117 11.906 -10.053 -4.174 1.00 0.00 H new ATOM 0 HB3 ALA A 117 12.338 -10.084 -5.900 1.00 0.00 H new ATOM 1891 N ASN A 118 10.467 -7.042 -6.723 1.00 0.00 N ATOM 1892 CA ASN A 118 10.456 -6.215 -7.966 1.00 0.00 C ATOM 1893 C ASN A 118 11.780 -6.404 -8.697 1.00 0.00 C ATOM 1894 O ASN A 118 12.810 -6.655 -8.105 1.00 0.00 O ATOM 1895 CB ASN A 118 10.305 -4.716 -7.638 1.00 0.00 C ATOM 1896 CG ASN A 118 8.899 -4.380 -7.122 1.00 0.00 C ATOM 1897 OD1 ASN A 118 7.960 -4.297 -7.887 1.00 0.00 O ATOM 1898 ND2 ASN A 118 8.718 -4.176 -5.835 1.00 0.00 N ATOM 0 H ASN A 118 10.508 -6.509 -5.854 1.00 0.00 H new ATOM 0 HA ASN A 118 9.613 -6.534 -8.579 1.00 0.00 H new ATOM 0 HB2 ASN A 118 11.044 -4.433 -6.888 1.00 0.00 H new ATOM 0 HB3 ASN A 118 10.514 -4.127 -8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 118 7.789 -3.948 -5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 118 9.507 -4.246 -5.192 1.00 0.00 H new ATOM 1905 N GLU A 119 11.752 -6.299 -9.983 1.00 0.00 N ATOM 1906 CA GLU A 119 12.994 -6.475 -10.773 1.00 0.00 C ATOM 1907 C GLU A 119 14.063 -5.425 -10.404 1.00 0.00 C ATOM 1908 O GLU A 119 15.209 -5.776 -10.202 1.00 0.00 O ATOM 1909 CB GLU A 119 12.652 -6.376 -12.260 1.00 0.00 C ATOM 1910 CG GLU A 119 11.820 -5.111 -12.536 1.00 0.00 C ATOM 1911 CD GLU A 119 11.422 -5.058 -14.015 1.00 0.00 C ATOM 1912 OE1 GLU A 119 11.055 -6.090 -14.548 1.00 0.00 O ATOM 1913 OE2 GLU A 119 11.497 -3.982 -14.589 1.00 0.00 O ATOM 0 H GLU A 119 10.916 -6.097 -10.531 1.00 0.00 H new ATOM 0 HA GLU A 119 13.412 -7.455 -10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.568 -6.352 -12.850 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.096 -7.260 -12.571 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.927 -5.109 -11.910 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.395 -4.223 -12.274 1.00 0.00 H new ATOM 1920 N GLU A 120 13.745 -4.148 -10.339 1.00 0.00 N ATOM 1921 CA GLU A 120 14.837 -3.167 -10.001 1.00 0.00 C ATOM 1922 C GLU A 120 14.982 -3.087 -8.484 1.00 0.00 C ATOM 1923 O GLU A 120 14.334 -2.289 -7.841 1.00 0.00 O ATOM 1924 CB GLU A 120 14.513 -1.743 -10.563 1.00 0.00 C ATOM 1925 CG GLU A 120 14.557 -1.676 -12.130 1.00 0.00 C ATOM 1926 CD GLU A 120 14.139 -0.310 -12.606 1.00 0.00 C ATOM 1927 OE1 GLU A 120 13.869 0.497 -11.757 1.00 0.00 O ATOM 1928 OE2 GLU A 120 14.087 -0.095 -13.806 1.00 0.00 O ATOM 0 H GLU A 120 12.818 -3.753 -10.498 1.00 0.00 H new ATOM 0 HA GLU A 120 15.765 -3.512 -10.456 1.00 0.00 H new ATOM 0 HB2 GLU A 120 13.524 -1.440 -10.220 1.00 0.00 H new ATOM 0 HB3 GLU A 120 15.226 -1.027 -10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 120 15.564 -1.899 -12.482 1.00 0.00 H new ATOM 0 HG3 GLU A 120 13.897 -2.434 -12.552 1.00 0.00 H new ATOM 1935 N LEU A 121 15.834 -3.891 -7.893 1.00 0.00 N ATOM 1936 CA LEU A 121 15.955 -3.822 -6.384 1.00 0.00 C ATOM 1937 C LEU A 121 17.105 -2.902 -5.934 1.00 0.00 C ATOM 1938 O LEU A 121 17.358 -2.760 -4.753 1.00 0.00 O ATOM 1939 CB LEU A 121 16.130 -5.258 -5.825 1.00 0.00 C ATOM 1940 CG LEU A 121 14.984 -6.178 -6.298 1.00 0.00 C ATOM 1941 CD1 LEU A 121 15.157 -7.575 -5.702 1.00 0.00 C ATOM 1942 CD2 LEU A 121 13.643 -5.598 -5.841 1.00 0.00 C ATOM 0 H LEU A 121 16.434 -4.571 -8.360 1.00 0.00 H new ATOM 0 HA LEU A 121 15.041 -3.384 -5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 121 17.087 -5.665 -6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.151 -5.228 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 121 15.006 -6.245 -7.386 1.00 0.00 H new ATOM 0 HD11 LEU A 121 14.345 -8.218 -6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.110 -7.993 -6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 121 15.140 -7.511 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.833 -6.247 -6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.628 -5.529 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.511 -4.604 -6.269 1.00 0.00 H new