USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 978 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 123 CYS SG : rot -160:sc= -3.63 USER MOD Set 1.2: A 128 CYS SG : rot -100:sc= -0.229 USER MOD Set 1.3: A 141 HIS : no HD1:sc= -1.59 K(o=-21,f=-23) USER MOD Set 1.4: A 142 MET CE :methyl -127:sc= -1.88 (180deg=-0.688) USER MOD Set 1.5: A 145 HIS : no HE2:sc= -13.8! C(o=-21!,f=-27!) USER MOD Set 2.1: A 135 SER OG : rot 160:sc= 0.148 USER MOD Set 2.2: A 139 LYS NZ :NH3+ -162:sc= 0.376 (180deg=0) USER MOD Set 3.1: A 93 CYS SG : rot 136:sc= -0.903 USER MOD Set 3.2: A 98 CYS SG : rot -175:sc= -0.47 USER MOD Set 3.3: A 111 HIS : no HE2:sc= -5.28! C(o=-6.6!,f=-8.9!) USER MOD Set 4.1: A 60 CYS SG : rot -133:sc= 0.432 USER MOD Set 4.2: A 65 CYS SG : rot 80:sc= -1.67 USER MOD Set 4.3: A 81 HIS : no HE2:sc= -1.18 K(o=-9.4,f=-12) USER MOD Set 4.4: A 85 HIS : no HE2:sc= -7.01! C(o=-9.4!,f=-14!) USER MOD Set 5.1: A 56 ASN : amide:sc= -1.29 K(o=-5.1,f=-7.3!) USER MOD Set 5.2: A 57 ASN : amide:sc= -3.81! K(o=-5.1!,f=-2.7) USER MOD Set 6.1: A 38 MET CE :methyl 168:sc= -0.552 (180deg=-0.909) USER MOD Set 6.2: A 86 THR OG1 : rot -64:sc= 0.114 USER MOD Set 7.1: A 16 CYS SG : rot -86:sc= -1.24! USER MOD Set 7.2: A 31 CYS SG : rot -56:sc= 1.51 USER MOD Set 7.3: A 44 HIS : no HD1:sc= -5.29! C(o=-17!,f=-20!) USER MOD Set 7.4: A 49 HIS : no HD1:sc= -11.8! C(o=-17!,f=-18!) USER MOD Set 8.1: A 23 GLN : amide:sc= -5.02! C(o=-4.7!,f=-6.6!) USER MOD Set 8.2: A 25 SER OG : rot 75:sc= 0.287 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 15 SER OG : rot 38:sc= 0.0934 USER MOD Single : A 17 LYS NZ :NH3+ -166:sc=-0.00396 (180deg=-0.0957) USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= -0.256! (180deg=-1.06) USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= -0.0879 (180deg=-0.527) USER MOD Single : A 30 SER OG : rot -120:sc= -0.0765 USER MOD Single : A 34 THR OG1 : rot -120:sc= -0.278 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 75:sc= 0.043 USER MOD Single : A 46 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -6.33! C(o=-6.3!,f=-5.7!) USER MOD Single : A 58 HIS : no HD1:sc= -5.78! C(o=-5.8!,f=-8.1!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= -0.97 (180deg=-1.58!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -121:sc= -0.827 (180deg=-2.58!) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.174 USER MOD Single : A 77 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0528) USER MOD Single : A 80 ASN : amide:sc= -6.02! C(o=-6!,f=-7.4!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 107 ASN : amide:sc= -2.08 K(o=-2.1,f=-4!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -125:sc= -0.877 (180deg=-1.61!) USER MOD Single : A 122 LYS NZ :NH3+ -153:sc= -0.097 (180deg=-0.857) USER MOD Single : A 134 ASN : amide:sc= -1.14 K(o=-1.1,f=-6.5!) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 HIS : no HD1:sc= -7.88! C(o=-7.9!,f=-9.5!) USER MOD ----------------------------------------------------------------- ATOM 138 N GLN A 12 -11.296 6.166 -33.038 1.00 0.00 N ATOM 139 CA GLN A 12 -10.365 6.085 -31.918 1.00 0.00 C ATOM 140 C GLN A 12 -10.662 7.164 -30.883 1.00 0.00 C ATOM 141 O GLN A 12 -10.530 8.356 -31.160 1.00 0.00 O ATOM 142 CB GLN A 12 -8.924 6.221 -32.415 1.00 0.00 C ATOM 143 CG GLN A 12 -7.886 5.768 -31.401 1.00 0.00 C ATOM 144 CD GLN A 12 -7.728 4.261 -31.361 1.00 0.00 C ATOM 145 OE1 GLN A 12 -7.431 3.629 -32.375 1.00 0.00 O ATOM 146 NE2 GLN A 12 -7.926 3.675 -30.185 1.00 0.00 N ATOM 0 HA GLN A 12 -10.489 5.111 -31.445 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.807 5.637 -33.328 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.735 7.262 -32.676 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.926 6.224 -31.642 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.170 6.126 -30.411 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.171 4.237 -29.370 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.833 2.663 -30.097 1.00 0.00 H new ATOM 155 N GLU A 13 -11.065 6.738 -29.690 1.00 0.00 N ATOM 156 CA GLU A 13 -11.383 7.669 -28.614 1.00 0.00 C ATOM 157 C GLU A 13 -10.122 8.073 -27.854 1.00 0.00 C ATOM 158 O GLU A 13 -9.354 7.220 -27.405 1.00 0.00 O ATOM 159 CB GLU A 13 -12.394 7.044 -27.651 1.00 0.00 C ATOM 160 CG GLU A 13 -13.827 7.100 -28.153 1.00 0.00 C ATOM 161 CD GLU A 13 -14.677 5.964 -27.617 1.00 0.00 C ATOM 162 OE1 GLU A 13 -15.257 6.122 -26.523 1.00 0.00 O ATOM 163 OE2 GLU A 13 -14.763 4.917 -28.293 1.00 0.00 O ATOM 0 H GLU A 13 -11.179 5.755 -29.444 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.821 8.563 -29.059 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.120 6.004 -27.475 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.334 7.557 -26.691 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.273 8.051 -27.862 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.828 7.067 -29.243 1.00 0.00 H new ATOM 170 N LEU A 14 -9.916 9.377 -27.713 1.00 0.00 N ATOM 171 CA LEU A 14 -8.749 9.896 -27.008 1.00 0.00 C ATOM 172 C LEU A 14 -9.059 10.120 -25.532 1.00 0.00 C ATOM 173 O LEU A 14 -10.222 10.233 -25.142 1.00 0.00 O ATOM 174 CB LEU A 14 -8.282 11.205 -27.648 1.00 0.00 C ATOM 175 CG LEU A 14 -8.026 11.162 -29.155 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.529 12.511 -29.650 1.00 0.00 C ATOM 177 CD2 LEU A 14 -7.028 10.065 -29.496 1.00 0.00 C ATOM 0 H LEU A 14 -10.542 10.095 -28.078 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.951 9.157 -27.084 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.031 11.971 -27.449 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.364 11.521 -27.153 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.967 10.938 -29.658 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.352 12.462 -30.724 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.278 13.274 -29.440 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.600 12.766 -29.141 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.858 10.049 -30.573 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.086 10.258 -28.983 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.424 9.101 -29.177 1.00 0.00 H new ATOM 189 N SER A 15 -8.013 10.185 -24.715 1.00 0.00 N ATOM 190 CA SER A 15 -8.174 10.394 -23.281 1.00 0.00 C ATOM 191 C SER A 15 -7.300 11.548 -22.800 1.00 0.00 C ATOM 192 O SER A 15 -6.094 11.575 -23.047 1.00 0.00 O ATOM 193 CB SER A 15 -7.821 9.118 -22.515 1.00 0.00 C ATOM 194 OG SER A 15 -6.501 8.695 -22.810 1.00 0.00 O ATOM 0 H SER A 15 -7.044 10.096 -25.022 1.00 0.00 H new ATOM 0 HA SER A 15 -9.217 10.646 -23.090 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.919 9.294 -21.444 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.526 8.328 -22.774 1.00 0.00 H new ATOM 0 HG SER A 15 -5.917 9.478 -22.890 1.00 0.00 H new ATOM 200 N CYS A 16 -7.917 12.501 -22.109 1.00 0.00 N ATOM 201 CA CYS A 16 -7.198 13.659 -21.592 1.00 0.00 C ATOM 202 C CYS A 16 -7.386 13.787 -20.083 1.00 0.00 C ATOM 203 O CYS A 16 -8.436 14.225 -19.612 1.00 0.00 O ATOM 204 CB CYS A 16 -7.677 14.936 -22.287 1.00 0.00 C ATOM 205 SG CYS A 16 -7.148 16.473 -21.464 1.00 0.00 S ATOM 0 H CYS A 16 -8.914 12.494 -21.894 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.137 13.518 -21.798 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.307 14.940 -23.312 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.766 14.921 -22.341 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.003 16.784 -20.535 1.00 0.00 H new ATOM 210 N LYS A 17 -6.362 13.401 -19.330 1.00 0.00 N ATOM 211 CA LYS A 17 -6.412 13.473 -17.874 1.00 0.00 C ATOM 212 C LYS A 17 -5.712 14.730 -17.368 1.00 0.00 C ATOM 213 O LYS A 17 -4.487 14.765 -17.251 1.00 0.00 O ATOM 214 CB LYS A 17 -5.762 12.232 -17.259 1.00 0.00 C ATOM 215 CG LYS A 17 -6.080 10.946 -18.004 1.00 0.00 C ATOM 216 CD LYS A 17 -7.578 10.758 -18.176 1.00 0.00 C ATOM 217 CE LYS A 17 -8.207 10.130 -16.942 1.00 0.00 C ATOM 218 NZ LYS A 17 -7.883 8.681 -16.831 1.00 0.00 N ATOM 0 H LYS A 17 -5.487 13.035 -19.704 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.459 13.514 -17.573 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.681 12.371 -17.237 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.092 12.134 -16.225 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.600 10.963 -18.982 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.666 10.097 -17.460 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.046 11.722 -18.373 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.769 10.127 -19.044 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.856 10.650 -16.051 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.289 10.258 -16.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.508 8.238 -16.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.021 8.223 -17.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.893 8.568 -16.533 1.00 0.00 H new ATOM 232 N TRP A 18 -6.497 15.758 -17.067 1.00 0.00 N ATOM 233 CA TRP A 18 -5.952 17.016 -16.571 1.00 0.00 C ATOM 234 C TRP A 18 -6.245 17.188 -15.084 1.00 0.00 C ATOM 235 O TRP A 18 -7.398 17.113 -14.657 1.00 0.00 O ATOM 236 CB TRP A 18 -6.533 18.193 -17.357 1.00 0.00 C ATOM 237 CG TRP A 18 -5.843 19.493 -17.077 1.00 0.00 C ATOM 238 CD1 TRP A 18 -5.864 20.197 -15.906 1.00 0.00 C ATOM 239 CD2 TRP A 18 -5.031 20.246 -17.985 1.00 0.00 C ATOM 240 NE1 TRP A 18 -5.114 21.342 -16.032 1.00 0.00 N ATOM 241 CE2 TRP A 18 -4.592 21.395 -17.298 1.00 0.00 C ATOM 242 CE3 TRP A 18 -4.631 20.061 -19.311 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -3.775 22.351 -17.894 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -3.821 21.011 -19.901 1.00 0.00 C ATOM 245 CH2 TRP A 18 -3.399 22.145 -19.193 1.00 0.00 C ATOM 0 H TRP A 18 -7.513 15.745 -17.158 1.00 0.00 H new ATOM 0 HA TRP A 18 -4.871 16.994 -16.709 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -6.466 17.977 -18.423 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.592 18.293 -17.118 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.392 19.898 -15.013 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.969 22.039 -15.302 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.950 19.190 -19.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.449 23.225 -17.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.507 20.878 -20.926 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.765 22.870 -19.682 1.00 0.00 H new ATOM 256 N ILE A 19 -5.197 17.420 -14.302 1.00 0.00 N ATOM 257 CA ILE A 19 -5.344 17.603 -12.863 1.00 0.00 C ATOM 258 C ILE A 19 -4.747 18.933 -12.415 1.00 0.00 C ATOM 259 O ILE A 19 -3.529 19.113 -12.424 1.00 0.00 O ATOM 260 CB ILE A 19 -4.671 16.461 -12.078 1.00 0.00 C ATOM 261 CG1 ILE A 19 -5.215 15.107 -12.540 1.00 0.00 C ATOM 262 CG2 ILE A 19 -4.891 16.645 -10.584 1.00 0.00 C ATOM 263 CD1 ILE A 19 -5.036 14.005 -11.519 1.00 0.00 C ATOM 0 H ILE A 19 -4.237 17.486 -14.640 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.413 17.597 -12.652 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.599 16.487 -12.273 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.275 15.210 -12.770 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.715 14.820 -13.465 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.410 15.831 -10.042 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.461 17.595 -10.267 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.960 16.641 -10.370 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.444 13.074 -11.913 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.975 13.875 -11.306 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.560 14.271 -10.601 1.00 0.00 H new ATOM 275 N ASP A 20 -5.612 19.861 -12.022 1.00 0.00 N ATOM 276 CA ASP A 20 -5.171 21.174 -11.567 1.00 0.00 C ATOM 277 C ASP A 20 -4.802 21.141 -10.087 1.00 0.00 C ATOM 278 O ASP A 20 -5.486 20.511 -9.282 1.00 0.00 O ATOM 279 CB ASP A 20 -6.265 22.216 -11.809 1.00 0.00 C ATOM 280 CG ASP A 20 -6.158 22.860 -13.177 1.00 0.00 C ATOM 281 OD1 ASP A 20 -5.403 23.845 -13.312 1.00 0.00 O ATOM 282 OD2 ASP A 20 -6.830 22.379 -14.114 1.00 0.00 O ATOM 0 H ASP A 20 -6.623 19.728 -12.009 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.285 21.450 -12.138 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.242 21.743 -11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.204 22.988 -11.042 1.00 0.00 H new ATOM 287 N GLU A 21 -3.716 21.823 -9.738 1.00 0.00 N ATOM 288 CA GLU A 21 -3.255 21.869 -8.355 1.00 0.00 C ATOM 289 C GLU A 21 -4.111 22.824 -7.528 1.00 0.00 C ATOM 290 O GLU A 21 -4.286 22.634 -6.325 1.00 0.00 O ATOM 291 CB GLU A 21 -1.788 22.301 -8.296 1.00 0.00 C ATOM 292 CG GLU A 21 -0.928 21.684 -9.386 1.00 0.00 C ATOM 293 CD GLU A 21 0.527 21.558 -8.980 1.00 0.00 C ATOM 294 OE1 GLU A 21 0.996 22.401 -8.186 1.00 0.00 O ATOM 295 OE2 GLU A 21 1.197 20.618 -9.455 1.00 0.00 O ATOM 0 H GLU A 21 -3.139 22.351 -10.393 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.348 20.868 -7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.734 23.387 -8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.377 22.030 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.318 20.697 -9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.998 22.293 -10.287 1.00 0.00 H new ATOM 302 N ALA A 22 -4.642 23.852 -8.183 1.00 0.00 N ATOM 303 CA ALA A 22 -5.480 24.836 -7.510 1.00 0.00 C ATOM 304 C ALA A 22 -6.959 24.510 -7.687 1.00 0.00 C ATOM 305 O ALA A 22 -7.808 25.400 -7.652 1.00 0.00 O ATOM 306 CB ALA A 22 -5.179 26.232 -8.034 1.00 0.00 C ATOM 0 H ALA A 22 -4.506 24.024 -9.179 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.252 24.803 -6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.812 26.957 -7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.132 26.472 -7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.377 26.269 -9.105 1.00 0.00 H new ATOM 312 N GLN A 23 -7.260 23.229 -7.877 1.00 0.00 N ATOM 313 CA GLN A 23 -8.637 22.787 -8.062 1.00 0.00 C ATOM 314 C GLN A 23 -9.359 22.684 -6.722 1.00 0.00 C ATOM 315 O GLN A 23 -8.813 22.164 -5.749 1.00 0.00 O ATOM 316 CB GLN A 23 -8.670 21.436 -8.777 1.00 0.00 C ATOM 317 CG GLN A 23 -8.168 20.283 -7.923 1.00 0.00 C ATOM 318 CD GLN A 23 -8.450 18.929 -8.546 1.00 0.00 C ATOM 319 OE1 GLN A 23 -9.569 18.420 -8.472 1.00 0.00 O ATOM 320 NE2 GLN A 23 -7.434 18.338 -9.164 1.00 0.00 N ATOM 0 H GLN A 23 -6.569 22.480 -7.907 1.00 0.00 H new ATOM 0 HA GLN A 23 -9.150 23.527 -8.676 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.692 21.226 -9.092 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.064 21.498 -9.681 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.094 20.391 -7.768 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.638 20.332 -6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.523 18.796 -9.201 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.564 17.426 -9.602 1.00 0.00 H new ATOM 329 N LEU A 24 -10.589 23.183 -6.680 1.00 0.00 N ATOM 330 CA LEU A 24 -11.388 23.148 -5.459 1.00 0.00 C ATOM 331 C LEU A 24 -12.116 21.815 -5.323 1.00 0.00 C ATOM 332 O LEU A 24 -12.884 21.609 -4.384 1.00 0.00 O ATOM 333 CB LEU A 24 -12.398 24.297 -5.453 1.00 0.00 C ATOM 334 CG LEU A 24 -13.059 24.602 -4.109 1.00 0.00 C ATOM 335 CD1 LEU A 24 -12.058 25.231 -3.152 1.00 0.00 C ATOM 336 CD2 LEU A 24 -14.262 25.514 -4.301 1.00 0.00 C ATOM 0 H LEU A 24 -11.055 23.617 -7.477 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.714 23.261 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.894 25.199 -5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.181 24.070 -6.177 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.405 23.664 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.547 25.441 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.228 24.543 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.681 26.160 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.720 25.720 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.940 26.450 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.989 25.026 -4.950 1.00 0.00 H new ATOM 348 N SER A 25 -11.867 20.911 -6.266 1.00 0.00 N ATOM 349 CA SER A 25 -12.501 19.598 -6.253 1.00 0.00 C ATOM 350 C SER A 25 -11.542 18.538 -5.719 1.00 0.00 C ATOM 351 O SER A 25 -10.435 18.372 -6.232 1.00 0.00 O ATOM 352 CB SER A 25 -12.967 19.219 -7.660 1.00 0.00 C ATOM 353 OG SER A 25 -12.243 19.934 -8.647 1.00 0.00 O ATOM 0 H SER A 25 -11.231 21.064 -7.048 1.00 0.00 H new ATOM 0 HA SER A 25 -13.367 19.646 -5.593 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.837 18.148 -7.813 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.032 19.428 -7.763 1.00 0.00 H new ATOM 0 HG SER A 25 -11.343 19.556 -8.730 1.00 0.00 H new ATOM 359 N ARG A 26 -11.976 17.823 -4.687 1.00 0.00 N ATOM 360 CA ARG A 26 -11.156 16.779 -4.082 1.00 0.00 C ATOM 361 C ARG A 26 -11.977 15.515 -3.841 1.00 0.00 C ATOM 362 O ARG A 26 -13.178 15.566 -3.576 1.00 0.00 O ATOM 363 CB ARG A 26 -10.558 17.271 -2.763 1.00 0.00 C ATOM 364 CG ARG A 26 -9.343 18.167 -2.942 1.00 0.00 C ATOM 365 CD ARG A 26 -8.050 17.368 -2.895 1.00 0.00 C ATOM 366 NE ARG A 26 -6.946 18.145 -2.338 1.00 0.00 N ATOM 367 CZ ARG A 26 -6.862 18.488 -1.057 1.00 0.00 C ATOM 368 NH1 ARG A 26 -7.812 18.124 -0.206 1.00 0.00 N ATOM 369 NH2 ARG A 26 -5.827 19.196 -0.625 1.00 0.00 N ATOM 0 H ARG A 26 -12.890 17.947 -4.252 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.347 16.540 -4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.322 17.816 -2.208 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.277 16.409 -2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.414 18.691 -3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.331 18.927 -2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.200 16.470 -2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.790 17.039 -3.901 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.199 18.440 -2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.610 17.579 -0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.745 18.389 0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.094 19.478 -1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.764 19.459 0.359 1.00 0.00 H new ATOM 383 N PRO A 27 -11.314 14.353 -3.935 1.00 0.00 N ATOM 384 CA PRO A 27 -9.885 14.279 -4.250 1.00 0.00 C ATOM 385 C PRO A 27 -9.588 14.678 -5.692 1.00 0.00 C ATOM 386 O PRO A 27 -10.346 14.353 -6.606 1.00 0.00 O ATOM 387 CB PRO A 27 -9.546 12.804 -4.023 1.00 0.00 C ATOM 388 CG PRO A 27 -10.836 12.085 -4.222 1.00 0.00 C ATOM 389 CD PRO A 27 -11.910 13.020 -3.742 1.00 0.00 C ATOM 0 HA PRO A 27 -9.298 14.964 -3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.788 12.459 -4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.151 12.638 -3.021 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.982 11.829 -5.271 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.853 11.151 -3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.829 12.904 -4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.162 12.840 -2.697 1.00 0.00 H new ATOM 397 N LYS A 28 -8.479 15.384 -5.889 1.00 0.00 N ATOM 398 CA LYS A 28 -8.080 15.826 -7.220 1.00 0.00 C ATOM 399 C LYS A 28 -8.492 14.807 -8.278 1.00 0.00 C ATOM 400 O LYS A 28 -7.987 13.685 -8.305 1.00 0.00 O ATOM 401 CB LYS A 28 -6.567 16.048 -7.274 1.00 0.00 C ATOM 402 CG LYS A 28 -6.086 17.177 -6.378 1.00 0.00 C ATOM 403 CD LYS A 28 -4.904 17.909 -6.990 1.00 0.00 C ATOM 404 CE LYS A 28 -4.336 18.948 -6.035 1.00 0.00 C ATOM 405 NZ LYS A 28 -5.163 20.186 -6.007 1.00 0.00 N ATOM 0 H LYS A 28 -7.841 15.662 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.587 16.768 -7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.062 15.126 -6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.276 16.262 -8.302 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.902 17.880 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.802 16.775 -5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.127 17.191 -7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.215 18.395 -7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.279 18.526 -5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.318 19.198 -6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.573 20.991 -5.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.549 20.367 -6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.945 20.066 -5.332 1.00 0.00 H new ATOM 419 N LYS A 29 -9.412 15.206 -9.151 1.00 0.00 N ATOM 420 CA LYS A 29 -9.890 14.330 -10.213 1.00 0.00 C ATOM 421 C LYS A 29 -9.300 14.735 -11.560 1.00 0.00 C ATOM 422 O LYS A 29 -8.501 15.668 -11.643 1.00 0.00 O ATOM 423 CB LYS A 29 -11.418 14.366 -10.283 1.00 0.00 C ATOM 424 CG LYS A 29 -12.081 14.674 -8.951 1.00 0.00 C ATOM 425 CD LYS A 29 -13.596 14.647 -9.063 1.00 0.00 C ATOM 426 CE LYS A 29 -14.241 14.162 -7.774 1.00 0.00 C ATOM 427 NZ LYS A 29 -13.904 12.740 -7.486 1.00 0.00 N ATOM 0 H LYS A 29 -9.841 16.131 -9.143 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.566 13.315 -9.985 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.722 15.116 -11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.780 13.404 -10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.757 13.947 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.759 15.655 -8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.962 15.646 -9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.890 13.995 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.912 14.788 -6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.323 14.271 -7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.646 12.321 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.838 12.211 -8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.992 12.693 -6.988 1.00 0.00 H new ATOM 441 N SER A 30 -9.699 14.029 -12.613 1.00 0.00 N ATOM 442 CA SER A 30 -9.208 14.315 -13.956 1.00 0.00 C ATOM 443 C SER A 30 -10.342 14.787 -14.861 1.00 0.00 C ATOM 444 O SER A 30 -11.469 14.300 -14.768 1.00 0.00 O ATOM 445 CB SER A 30 -8.546 13.072 -14.555 1.00 0.00 C ATOM 446 OG SER A 30 -9.516 12.114 -14.940 1.00 0.00 O ATOM 0 H SER A 30 -10.361 13.255 -12.562 1.00 0.00 H new ATOM 0 HA SER A 30 -8.469 15.113 -13.883 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.947 13.356 -15.420 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.865 12.632 -13.827 1.00 0.00 H new ATOM 0 HG SER A 30 -9.365 11.280 -14.448 1.00 0.00 H new ATOM 452 N CYS A 31 -10.035 15.739 -15.736 1.00 0.00 N ATOM 453 CA CYS A 31 -11.026 16.279 -16.658 1.00 0.00 C ATOM 454 C CYS A 31 -11.718 15.159 -17.430 1.00 0.00 C ATOM 455 O CYS A 31 -11.371 13.986 -17.287 1.00 0.00 O ATOM 456 CB CYS A 31 -10.367 17.255 -17.635 1.00 0.00 C ATOM 457 SG CYS A 31 -9.983 16.532 -19.262 1.00 0.00 S ATOM 0 H CYS A 31 -9.107 16.152 -15.826 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.776 16.812 -16.074 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.026 18.112 -17.776 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -9.446 17.632 -17.190 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.232 15.483 -19.104 1.00 0.00 H new ATOM 462 N ASP A 32 -12.697 15.529 -18.248 1.00 0.00 N ATOM 463 CA ASP A 32 -13.437 14.557 -19.044 1.00 0.00 C ATOM 464 C ASP A 32 -13.633 15.060 -20.471 1.00 0.00 C ATOM 465 O ASP A 32 -14.307 16.065 -20.699 1.00 0.00 O ATOM 466 CB ASP A 32 -14.795 14.268 -18.401 1.00 0.00 C ATOM 467 CG ASP A 32 -15.809 13.746 -19.400 1.00 0.00 C ATOM 468 OD1 ASP A 32 -16.380 14.565 -20.150 1.00 0.00 O ATOM 469 OD2 ASP A 32 -16.030 12.517 -19.433 1.00 0.00 O ATOM 0 H ASP A 32 -12.997 16.495 -18.377 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.856 13.635 -19.079 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.667 13.538 -17.602 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.178 15.179 -17.942 1.00 0.00 H new ATOM 474 N ARG A 33 -13.039 14.354 -21.428 1.00 0.00 N ATOM 475 CA ARG A 33 -13.146 14.730 -22.832 1.00 0.00 C ATOM 476 C ARG A 33 -12.514 13.669 -23.728 1.00 0.00 C ATOM 477 O ARG A 33 -11.611 12.944 -23.310 1.00 0.00 O ATOM 478 CB ARG A 33 -12.473 16.083 -23.073 1.00 0.00 C ATOM 479 CG ARG A 33 -12.715 16.644 -24.464 1.00 0.00 C ATOM 480 CD ARG A 33 -14.052 17.364 -24.550 1.00 0.00 C ATOM 481 NE ARG A 33 -15.152 16.443 -24.821 1.00 0.00 N ATOM 482 CZ ARG A 33 -16.433 16.790 -24.760 1.00 0.00 C ATOM 483 NH1 ARG A 33 -16.772 18.032 -24.441 1.00 0.00 N ATOM 484 NH2 ARG A 33 -17.378 15.895 -25.021 1.00 0.00 N ATOM 0 H ARG A 33 -12.479 13.519 -21.256 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.204 14.809 -23.081 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.837 16.797 -22.334 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.400 15.979 -22.914 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.912 17.334 -24.724 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.689 15.835 -25.194 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.242 17.890 -23.614 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.008 18.118 -25.336 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.925 15.481 -25.071 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.049 18.723 -24.242 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.756 18.296 -24.395 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.121 14.939 -25.269 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -18.361 16.163 -24.974 1.00 0.00 H new ATOM 498 N THR A 34 -12.996 13.583 -24.965 1.00 0.00 N ATOM 499 CA THR A 34 -12.481 12.610 -25.920 1.00 0.00 C ATOM 500 C THR A 34 -12.729 13.063 -27.354 1.00 0.00 C ATOM 501 O THR A 34 -13.577 13.918 -27.608 1.00 0.00 O ATOM 502 CB THR A 34 -13.123 11.225 -25.712 1.00 0.00 C ATOM 503 OG1 THR A 34 -12.832 10.378 -26.830 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.629 11.347 -25.540 1.00 0.00 C ATOM 0 H THR A 34 -13.742 14.176 -25.328 1.00 0.00 H new ATOM 0 HA THR A 34 -11.408 12.534 -25.747 1.00 0.00 H new ATOM 0 HB THR A 34 -12.705 10.787 -24.806 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.670 10.094 -27.252 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.060 10.356 -25.395 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.847 11.969 -24.671 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.061 11.804 -26.430 1.00 0.00 H new ATOM 512 N PHE A 35 -11.984 12.483 -28.289 1.00 0.00 N ATOM 513 CA PHE A 35 -12.123 12.828 -29.700 1.00 0.00 C ATOM 514 C PHE A 35 -11.711 11.658 -30.589 1.00 0.00 C ATOM 515 O PHE A 35 -11.170 10.661 -30.110 1.00 0.00 O ATOM 516 CB PHE A 35 -11.276 14.058 -30.032 1.00 0.00 C ATOM 517 CG PHE A 35 -11.506 15.213 -29.100 1.00 0.00 C ATOM 518 CD1 PHE A 35 -10.799 15.314 -27.913 1.00 0.00 C ATOM 519 CD2 PHE A 35 -12.430 16.198 -29.410 1.00 0.00 C ATOM 520 CE1 PHE A 35 -11.007 16.376 -27.053 1.00 0.00 C ATOM 521 CE2 PHE A 35 -12.642 17.263 -28.555 1.00 0.00 C ATOM 522 CZ PHE A 35 -11.931 17.351 -27.374 1.00 0.00 C ATOM 0 H PHE A 35 -11.278 11.772 -28.096 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.172 13.055 -29.891 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -10.222 13.782 -30.003 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.494 14.375 -31.052 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -10.076 14.554 -27.656 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -12.991 16.133 -30.331 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.448 16.443 -26.131 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -13.363 18.026 -28.810 1.00 0.00 H new ATOM 0 HZ PHE A 35 -12.097 18.181 -26.703 1.00 0.00 H new ATOM 532 N SER A 36 -11.973 11.787 -31.885 1.00 0.00 N ATOM 533 CA SER A 36 -11.634 10.740 -32.842 1.00 0.00 C ATOM 534 C SER A 36 -10.193 10.888 -33.321 1.00 0.00 C ATOM 535 O SER A 36 -9.472 9.901 -33.473 1.00 0.00 O ATOM 536 CB SER A 36 -12.588 10.783 -34.037 1.00 0.00 C ATOM 537 OG SER A 36 -12.645 9.527 -34.690 1.00 0.00 O ATOM 0 H SER A 36 -12.419 12.606 -32.297 1.00 0.00 H new ATOM 0 HA SER A 36 -11.735 9.777 -32.341 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.585 11.067 -33.700 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.260 11.548 -34.741 1.00 0.00 H new ATOM 0 HG SER A 36 -13.263 9.581 -35.449 1.00 0.00 H new ATOM 543 N THR A 37 -9.780 12.129 -33.559 1.00 0.00 N ATOM 544 CA THR A 37 -8.426 12.407 -34.022 1.00 0.00 C ATOM 545 C THR A 37 -7.644 13.206 -32.986 1.00 0.00 C ATOM 546 O THR A 37 -8.224 13.785 -32.067 1.00 0.00 O ATOM 547 CB THR A 37 -8.437 13.185 -35.352 1.00 0.00 C ATOM 548 OG1 THR A 37 -8.713 14.569 -35.108 1.00 0.00 O ATOM 549 CG2 THR A 37 -9.477 12.615 -36.304 1.00 0.00 C ATOM 0 H THR A 37 -10.363 12.957 -33.439 1.00 0.00 H new ATOM 0 HA THR A 37 -7.940 11.444 -34.176 1.00 0.00 H new ATOM 0 HB THR A 37 -7.454 13.087 -35.813 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.717 15.057 -35.958 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.466 13.180 -37.236 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.247 11.570 -36.511 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.465 12.686 -35.848 1.00 0.00 H new ATOM 557 N MET A 38 -6.324 13.234 -33.140 1.00 0.00 N ATOM 558 CA MET A 38 -5.463 13.964 -32.217 1.00 0.00 C ATOM 559 C MET A 38 -5.746 15.462 -32.278 1.00 0.00 C ATOM 560 O MET A 38 -6.038 16.090 -31.260 1.00 0.00 O ATOM 561 CB MET A 38 -3.991 13.698 -32.541 1.00 0.00 C ATOM 562 CG MET A 38 -3.035 14.175 -31.460 1.00 0.00 C ATOM 563 SD MET A 38 -3.474 13.559 -29.823 1.00 0.00 S ATOM 564 CE MET A 38 -3.740 11.823 -30.175 1.00 0.00 C ATOM 0 H MET A 38 -5.828 12.760 -33.895 1.00 0.00 H new ATOM 0 HA MET A 38 -5.675 13.613 -31.207 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.849 12.628 -32.694 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.739 14.191 -33.480 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.024 13.852 -31.706 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.026 15.265 -31.443 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.808 11.268 -29.239 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.667 11.703 -30.736 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.907 11.439 -30.764 1.00 0.00 H new ATOM 574 N HIS A 39 -5.659 16.027 -33.478 1.00 0.00 N ATOM 575 CA HIS A 39 -5.906 17.452 -33.671 1.00 0.00 C ATOM 576 C HIS A 39 -7.115 17.908 -32.860 1.00 0.00 C ATOM 577 O HIS A 39 -7.149 19.031 -32.358 1.00 0.00 O ATOM 578 CB HIS A 39 -6.128 17.756 -35.153 1.00 0.00 C ATOM 579 CG HIS A 39 -5.995 19.209 -35.493 1.00 0.00 C ATOM 580 ND1 HIS A 39 -7.004 19.938 -36.085 1.00 0.00 N ATOM 581 CD2 HIS A 39 -4.964 20.068 -35.318 1.00 0.00 C ATOM 582 CE1 HIS A 39 -6.598 21.183 -36.262 1.00 0.00 C ATOM 583 NE2 HIS A 39 -5.363 21.288 -35.804 1.00 0.00 N ATOM 0 H HIS A 39 -5.420 15.521 -34.331 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.029 17.998 -33.323 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.411 17.186 -35.744 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.122 17.413 -35.441 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.005 19.837 -34.878 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.177 21.979 -36.706 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.798 22.137 -35.811 1.00 0.00 H new ATOM 591 N GLU A 40 -8.105 17.029 -32.737 1.00 0.00 N ATOM 592 CA GLU A 40 -9.316 17.344 -31.988 1.00 0.00 C ATOM 593 C GLU A 40 -9.014 17.484 -30.499 1.00 0.00 C ATOM 594 O GLU A 40 -9.515 18.393 -29.835 1.00 0.00 O ATOM 595 CB GLU A 40 -10.373 16.258 -32.204 1.00 0.00 C ATOM 596 CG GLU A 40 -10.988 16.276 -33.594 1.00 0.00 C ATOM 597 CD GLU A 40 -11.931 17.445 -33.800 1.00 0.00 C ATOM 598 OE1 GLU A 40 -12.003 18.313 -32.904 1.00 0.00 O ATOM 599 OE2 GLU A 40 -12.597 17.492 -34.855 1.00 0.00 O ATOM 0 H GLU A 40 -8.092 16.095 -33.146 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.702 18.295 -32.355 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.920 15.282 -32.029 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.164 16.380 -31.464 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.193 16.320 -34.338 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.529 15.344 -33.760 1.00 0.00 H new ATOM 606 N LEU A 41 -8.192 16.579 -29.980 1.00 0.00 N ATOM 607 CA LEU A 41 -7.822 16.600 -28.569 1.00 0.00 C ATOM 608 C LEU A 41 -6.966 17.822 -28.249 1.00 0.00 C ATOM 609 O LEU A 41 -7.179 18.495 -27.241 1.00 0.00 O ATOM 610 CB LEU A 41 -7.067 15.323 -28.200 1.00 0.00 C ATOM 611 CG LEU A 41 -6.152 15.413 -26.978 1.00 0.00 C ATOM 612 CD1 LEU A 41 -6.971 15.579 -25.708 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.263 14.181 -26.885 1.00 0.00 C ATOM 0 H LEU A 41 -7.769 15.821 -30.515 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.737 16.656 -27.980 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.796 14.532 -28.026 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.466 15.020 -29.057 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.514 16.289 -27.090 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.302 15.641 -24.849 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.563 16.492 -25.774 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.636 14.723 -25.589 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.619 14.262 -26.010 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.884 13.290 -26.797 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.648 14.107 -27.782 1.00 0.00 H new ATOM 625 N VAL A 42 -5.998 18.103 -29.116 1.00 0.00 N ATOM 626 CA VAL A 42 -5.112 19.245 -28.928 1.00 0.00 C ATOM 627 C VAL A 42 -5.906 20.523 -28.686 1.00 0.00 C ATOM 628 O VAL A 42 -5.654 21.253 -27.727 1.00 0.00 O ATOM 629 CB VAL A 42 -4.192 19.448 -30.146 1.00 0.00 C ATOM 630 CG1 VAL A 42 -3.164 20.534 -29.864 1.00 0.00 C ATOM 631 CG2 VAL A 42 -3.509 18.141 -30.521 1.00 0.00 C ATOM 0 H VAL A 42 -5.808 17.555 -29.955 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.500 19.030 -28.052 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.802 19.769 -30.991 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.523 20.663 -30.736 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.676 21.472 -29.647 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.556 20.246 -29.006 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.863 18.303 -31.384 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.911 17.789 -29.680 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.263 17.394 -30.768 1.00 0.00 H new ATOM 641 N THR A 43 -6.870 20.790 -29.563 1.00 0.00 N ATOM 642 CA THR A 43 -7.702 21.981 -29.446 1.00 0.00 C ATOM 643 C THR A 43 -8.297 22.100 -28.048 1.00 0.00 C ATOM 644 O THR A 43 -8.575 23.201 -27.573 1.00 0.00 O ATOM 645 CB THR A 43 -8.844 21.971 -30.480 1.00 0.00 C ATOM 646 OG1 THR A 43 -8.305 22.032 -31.805 1.00 0.00 O ATOM 647 CG2 THR A 43 -9.786 23.145 -30.255 1.00 0.00 C ATOM 0 H THR A 43 -7.093 20.197 -30.362 1.00 0.00 H new ATOM 0 HA THR A 43 -7.057 22.839 -29.637 1.00 0.00 H new ATOM 0 HB THR A 43 -9.407 21.045 -30.360 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.932 21.159 -32.047 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.585 23.118 -30.996 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.216 23.080 -29.256 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.233 24.079 -30.352 1.00 0.00 H new ATOM 655 N HIS A 44 -8.492 20.960 -27.394 1.00 0.00 N ATOM 656 CA HIS A 44 -9.055 20.937 -26.048 1.00 0.00 C ATOM 657 C HIS A 44 -7.973 21.193 -25.003 1.00 0.00 C ATOM 658 O HIS A 44 -8.022 22.184 -24.274 1.00 0.00 O ATOM 659 CB HIS A 44 -9.733 19.593 -25.778 1.00 0.00 C ATOM 660 CG HIS A 44 -10.007 19.341 -24.328 1.00 0.00 C ATOM 661 ND1 HIS A 44 -11.189 19.696 -23.713 1.00 0.00 N ATOM 662 CD2 HIS A 44 -9.245 18.764 -23.370 1.00 0.00 C ATOM 663 CE1 HIS A 44 -11.141 19.350 -22.439 1.00 0.00 C ATOM 664 NE2 HIS A 44 -9.972 18.781 -22.205 1.00 0.00 N ATOM 0 H HIS A 44 -8.269 20.040 -27.774 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.799 21.731 -25.978 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.672 19.552 -26.329 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.102 18.793 -26.164 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.250 18.364 -23.498 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.924 19.506 -21.712 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.660 18.414 -21.306 1.00 0.00 H new ATOM 672 N VAL A 45 -6.998 20.292 -24.934 1.00 0.00 N ATOM 673 CA VAL A 45 -5.904 20.421 -23.979 1.00 0.00 C ATOM 674 C VAL A 45 -5.218 21.776 -24.108 1.00 0.00 C ATOM 675 O VAL A 45 -4.562 22.244 -23.176 1.00 0.00 O ATOM 676 CB VAL A 45 -4.857 19.307 -24.170 1.00 0.00 C ATOM 677 CG1 VAL A 45 -3.846 19.323 -23.034 1.00 0.00 C ATOM 678 CG2 VAL A 45 -5.537 17.950 -24.272 1.00 0.00 C ATOM 0 H VAL A 45 -6.944 19.465 -25.528 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.341 20.332 -22.984 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.322 19.491 -25.102 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.115 18.529 -23.186 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.337 20.286 -23.014 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.361 19.165 -22.086 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.783 17.174 -24.407 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.099 17.755 -23.359 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.217 17.947 -25.124 1.00 0.00 H new ATOM 688 N THR A 46 -5.373 22.403 -25.269 1.00 0.00 N ATOM 689 CA THR A 46 -4.768 23.705 -25.522 1.00 0.00 C ATOM 690 C THR A 46 -5.734 24.835 -25.185 1.00 0.00 C ATOM 691 O THR A 46 -5.423 25.711 -24.378 1.00 0.00 O ATOM 692 CB THR A 46 -4.325 23.844 -26.990 1.00 0.00 C ATOM 693 OG1 THR A 46 -3.515 22.724 -27.366 1.00 0.00 O ATOM 694 CG2 THR A 46 -3.546 25.133 -27.201 1.00 0.00 C ATOM 0 H THR A 46 -5.913 22.030 -26.050 1.00 0.00 H new ATOM 0 HA THR A 46 -3.891 23.776 -24.878 1.00 0.00 H new ATOM 0 HB THR A 46 -5.218 23.872 -27.614 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.091 21.990 -27.666 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.244 25.209 -28.246 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.175 25.985 -26.943 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.660 25.131 -26.566 1.00 0.00 H new ATOM 702 N MET A 47 -6.908 24.809 -25.808 1.00 0.00 N ATOM 703 CA MET A 47 -7.921 25.831 -25.572 1.00 0.00 C ATOM 704 C MET A 47 -8.813 25.452 -24.395 1.00 0.00 C ATOM 705 O MET A 47 -9.033 26.254 -23.488 1.00 0.00 O ATOM 706 CB MET A 47 -8.772 26.035 -26.827 1.00 0.00 C ATOM 707 CG MET A 47 -7.961 26.075 -28.112 1.00 0.00 C ATOM 708 SD MET A 47 -8.884 26.771 -29.495 1.00 0.00 S ATOM 709 CE MET A 47 -7.721 27.991 -30.099 1.00 0.00 C ATOM 0 H MET A 47 -7.181 24.092 -26.480 1.00 0.00 H new ATOM 0 HA MET A 47 -7.411 26.764 -25.332 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.504 25.230 -26.894 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.330 26.966 -26.730 1.00 0.00 H new ATOM 0 HG2 MET A 47 -7.059 26.664 -27.949 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.640 25.065 -28.366 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.149 28.508 -30.958 1.00 0.00 H new ATOM 0 HE2 MET A 47 -7.508 28.713 -29.310 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.797 27.496 -30.397 1.00 0.00 H new ATOM 719 N GLU A 48 -9.322 24.224 -24.415 1.00 0.00 N ATOM 720 CA GLU A 48 -10.191 23.740 -23.349 1.00 0.00 C ATOM 721 C GLU A 48 -9.401 23.517 -22.063 1.00 0.00 C ATOM 722 O GLU A 48 -9.943 23.046 -21.062 1.00 0.00 O ATOM 723 CB GLU A 48 -10.877 22.439 -23.771 1.00 0.00 C ATOM 724 CG GLU A 48 -11.787 22.594 -24.977 1.00 0.00 C ATOM 725 CD GLU A 48 -13.147 23.159 -24.613 1.00 0.00 C ATOM 726 OE1 GLU A 48 -13.448 23.245 -23.404 1.00 0.00 O ATOM 727 OE2 GLU A 48 -13.909 23.514 -25.537 1.00 0.00 O ATOM 0 H GLU A 48 -9.148 23.547 -25.157 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.951 24.499 -23.162 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.115 21.693 -23.995 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.460 22.057 -22.933 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.309 23.248 -25.706 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.917 21.624 -25.456 1.00 0.00 H new ATOM 734 N HIS A 49 -8.117 23.859 -22.097 1.00 0.00 N ATOM 735 CA HIS A 49 -7.251 23.697 -20.934 1.00 0.00 C ATOM 736 C HIS A 49 -6.257 24.850 -20.832 1.00 0.00 C ATOM 737 O HIS A 49 -6.398 25.731 -19.984 1.00 0.00 O ATOM 738 CB HIS A 49 -6.501 22.367 -21.012 1.00 0.00 C ATOM 739 CG HIS A 49 -7.174 21.256 -20.265 1.00 0.00 C ATOM 740 ND1 HIS A 49 -7.977 21.467 -19.164 1.00 0.00 N ATOM 741 CD2 HIS A 49 -7.160 19.918 -20.469 1.00 0.00 C ATOM 742 CE1 HIS A 49 -8.426 20.306 -18.722 1.00 0.00 C ATOM 743 NE2 HIS A 49 -7.946 19.350 -19.496 1.00 0.00 N ATOM 0 H HIS A 49 -7.653 24.250 -22.917 1.00 0.00 H new ATOM 0 HA HIS A 49 -7.877 23.701 -20.042 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.396 22.079 -22.058 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.495 22.503 -20.616 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.630 19.395 -21.251 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.076 20.163 -17.871 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.129 18.352 -19.389 1.00 0.00 H new ATOM 751 N VAL A 50 -5.252 24.837 -21.701 1.00 0.00 N ATOM 752 CA VAL A 50 -4.234 25.881 -21.709 1.00 0.00 C ATOM 753 C VAL A 50 -4.814 27.210 -22.179 1.00 0.00 C ATOM 754 O VAL A 50 -4.123 28.228 -22.203 1.00 0.00 O ATOM 755 CB VAL A 50 -3.048 25.502 -22.615 1.00 0.00 C ATOM 756 CG1 VAL A 50 -2.115 26.690 -22.798 1.00 0.00 C ATOM 757 CG2 VAL A 50 -2.299 24.309 -22.040 1.00 0.00 C ATOM 0 H VAL A 50 -5.121 24.115 -22.409 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.879 25.985 -20.684 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.436 25.221 -23.594 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.283 26.403 -23.441 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.661 27.514 -23.257 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.732 27.005 -21.827 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.464 24.055 -22.693 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.921 24.560 -21.049 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.974 23.457 -21.966 1.00 0.00 H new ATOM 767 N GLY A 51 -6.090 27.194 -22.553 1.00 0.00 N ATOM 768 CA GLY A 51 -6.743 28.404 -23.018 1.00 0.00 C ATOM 769 C GLY A 51 -6.135 28.934 -24.301 1.00 0.00 C ATOM 770 O GLY A 51 -5.581 28.174 -25.094 1.00 0.00 O ATOM 0 H GLY A 51 -6.683 26.364 -22.542 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.802 28.203 -23.177 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.676 29.169 -22.245 1.00 0.00 H new ATOM 774 N GLY A 52 -6.241 30.243 -24.508 1.00 0.00 N ATOM 775 CA GLY A 52 -5.695 30.851 -25.707 1.00 0.00 C ATOM 776 C GLY A 52 -4.431 31.642 -25.432 1.00 0.00 C ATOM 777 O GLY A 52 -3.828 31.537 -24.364 1.00 0.00 O ATOM 0 H GLY A 52 -6.695 30.893 -23.867 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.481 30.073 -26.440 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.443 31.509 -26.150 1.00 0.00 H new ATOM 781 N PRO A 53 -4.013 32.457 -26.412 1.00 0.00 N ATOM 782 CA PRO A 53 -2.808 33.284 -26.294 1.00 0.00 C ATOM 783 C PRO A 53 -2.981 34.419 -25.291 1.00 0.00 C ATOM 784 O PRO A 53 -2.011 35.070 -24.905 1.00 0.00 O ATOM 785 CB PRO A 53 -2.621 33.842 -27.707 1.00 0.00 C ATOM 786 CG PRO A 53 -3.986 33.826 -28.304 1.00 0.00 C ATOM 787 CD PRO A 53 -4.684 32.633 -27.711 1.00 0.00 C ATOM 0 HA PRO A 53 -1.954 32.712 -25.931 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.211 34.852 -27.683 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.929 33.231 -28.286 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.523 34.746 -28.074 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.936 33.749 -29.390 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.753 32.811 -27.591 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.577 31.750 -28.342 1.00 0.00 H new ATOM 795 N GLU A 54 -4.222 34.651 -24.874 1.00 0.00 N ATOM 796 CA GLU A 54 -4.519 35.709 -23.915 1.00 0.00 C ATOM 797 C GLU A 54 -4.462 35.179 -22.485 1.00 0.00 C ATOM 798 O GLU A 54 -4.608 35.937 -21.527 1.00 0.00 O ATOM 799 CB GLU A 54 -5.900 36.306 -24.194 1.00 0.00 C ATOM 800 CG GLU A 54 -6.524 36.986 -22.987 1.00 0.00 C ATOM 801 CD GLU A 54 -5.650 38.088 -22.422 1.00 0.00 C ATOM 802 OE1 GLU A 54 -4.477 38.188 -22.837 1.00 0.00 O ATOM 803 OE2 GLU A 54 -6.141 38.851 -21.563 1.00 0.00 O ATOM 0 H GLU A 54 -5.037 34.122 -25.185 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.764 36.488 -24.026 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.817 37.029 -25.005 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.566 35.515 -24.539 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.491 37.403 -23.269 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.711 36.243 -22.212 1.00 0.00 H new ATOM 810 N GLN A 55 -4.248 33.874 -22.352 1.00 0.00 N ATOM 811 CA GLN A 55 -4.173 33.244 -21.039 1.00 0.00 C ATOM 812 C GLN A 55 -2.940 33.719 -20.277 1.00 0.00 C ATOM 813 O GLN A 55 -1.810 33.406 -20.649 1.00 0.00 O ATOM 814 CB GLN A 55 -4.142 31.721 -21.183 1.00 0.00 C ATOM 815 CG GLN A 55 -4.786 30.987 -20.017 1.00 0.00 C ATOM 816 CD GLN A 55 -4.389 29.525 -19.957 1.00 0.00 C ATOM 817 OE1 GLN A 55 -5.240 28.643 -19.848 1.00 0.00 O ATOM 818 NE2 GLN A 55 -3.089 29.262 -20.027 1.00 0.00 N ATOM 0 H GLN A 55 -4.124 33.233 -23.136 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.060 33.531 -20.474 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.652 31.441 -22.105 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.107 31.394 -21.280 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.503 31.475 -19.084 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.870 31.062 -20.100 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.418 30.025 -20.117 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.761 28.297 -19.991 1.00 0.00 H new ATOM 827 N ASN A 56 -3.167 34.477 -19.209 1.00 0.00 N ATOM 828 CA ASN A 56 -2.074 34.996 -18.395 1.00 0.00 C ATOM 829 C ASN A 56 -0.932 33.988 -18.310 1.00 0.00 C ATOM 830 O ASN A 56 0.085 34.128 -18.989 1.00 0.00 O ATOM 831 CB ASN A 56 -2.574 35.336 -16.990 1.00 0.00 C ATOM 832 CG ASN A 56 -3.643 34.374 -16.508 1.00 0.00 C ATOM 833 OD1 ASN A 56 -4.676 34.203 -17.155 1.00 0.00 O ATOM 834 ND2 ASN A 56 -3.398 33.742 -15.366 1.00 0.00 N ATOM 0 H ASN A 56 -4.097 34.745 -18.887 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.700 35.903 -18.870 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.735 35.320 -16.295 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.973 36.350 -16.985 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.080 33.083 -14.991 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.527 33.915 -14.864 1.00 0.00 H new ATOM 841 N ASN A 57 -1.108 32.972 -17.472 1.00 0.00 N ATOM 842 CA ASN A 57 -0.093 31.940 -17.298 1.00 0.00 C ATOM 843 C ASN A 57 -0.534 30.628 -17.940 1.00 0.00 C ATOM 844 O ASN A 57 -1.654 30.164 -17.722 1.00 0.00 O ATOM 845 CB ASN A 57 0.194 31.722 -15.811 1.00 0.00 C ATOM 846 CG ASN A 57 -0.820 30.804 -15.156 1.00 0.00 C ATOM 847 OD1 ASN A 57 -1.709 31.257 -14.434 1.00 0.00 O ATOM 848 ND2 ASN A 57 -0.690 29.506 -15.405 1.00 0.00 N ATOM 0 H ASN A 57 -1.944 32.841 -16.903 1.00 0.00 H new ATOM 0 HA ASN A 57 0.819 32.277 -17.791 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.192 31.299 -15.694 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.194 32.684 -15.299 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.342 28.840 -14.992 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.062 29.176 -16.010 1.00 0.00 H new ATOM 855 N HIS A 58 0.353 30.035 -18.733 1.00 0.00 N ATOM 856 CA HIS A 58 0.055 28.775 -19.406 1.00 0.00 C ATOM 857 C HIS A 58 0.844 27.627 -18.784 1.00 0.00 C ATOM 858 O HIS A 58 2.053 27.511 -18.984 1.00 0.00 O ATOM 859 CB HIS A 58 0.376 28.882 -20.897 1.00 0.00 C ATOM 860 CG HIS A 58 1.446 29.881 -21.210 1.00 0.00 C ATOM 861 ND1 HIS A 58 1.362 30.771 -22.259 1.00 0.00 N ATOM 862 CD2 HIS A 58 2.630 30.129 -20.602 1.00 0.00 C ATOM 863 CE1 HIS A 58 2.448 31.522 -22.286 1.00 0.00 C ATOM 864 NE2 HIS A 58 3.234 31.153 -21.290 1.00 0.00 N ATOM 0 H HIS A 58 1.283 30.406 -18.925 1.00 0.00 H new ATOM 0 HA HIS A 58 -1.008 28.568 -19.285 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.685 27.904 -21.264 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.531 29.153 -21.437 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.026 29.617 -19.737 1.00 0.00 H new ATOM 0 HE1 HIS A 58 2.658 32.304 -23.000 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.142 31.562 -21.068 1.00 0.00 H new ATOM 872 N VAL A 59 0.152 26.781 -18.028 1.00 0.00 N ATOM 873 CA VAL A 59 0.787 25.642 -17.377 1.00 0.00 C ATOM 874 C VAL A 59 -0.096 24.402 -17.453 1.00 0.00 C ATOM 875 O VAL A 59 -1.268 24.436 -17.075 1.00 0.00 O ATOM 876 CB VAL A 59 1.103 25.944 -15.900 1.00 0.00 C ATOM 877 CG1 VAL A 59 1.819 24.767 -15.255 1.00 0.00 C ATOM 878 CG2 VAL A 59 1.934 27.213 -15.782 1.00 0.00 C ATOM 0 H VAL A 59 -0.849 26.863 -17.851 1.00 0.00 H new ATOM 0 HA VAL A 59 1.719 25.453 -17.909 1.00 0.00 H new ATOM 0 HB VAL A 59 0.163 26.101 -15.371 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.034 24.999 -14.212 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.184 23.882 -15.307 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.753 24.575 -15.784 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.148 27.411 -14.732 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.870 27.087 -16.326 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.380 28.051 -16.204 1.00 0.00 H new ATOM 888 N CYS A 60 0.473 23.306 -17.944 1.00 0.00 N ATOM 889 CA CYS A 60 -0.262 22.053 -18.070 1.00 0.00 C ATOM 890 C CYS A 60 -0.025 21.159 -16.857 1.00 0.00 C ATOM 891 O CYS A 60 1.090 20.692 -16.625 1.00 0.00 O ATOM 892 CB CYS A 60 0.153 21.320 -19.347 1.00 0.00 C ATOM 893 SG CYS A 60 0.215 19.507 -19.177 1.00 0.00 S ATOM 0 H CYS A 60 1.441 23.260 -18.261 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.325 22.288 -18.124 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.546 21.576 -20.143 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.135 21.679 -19.657 1.00 0.00 H new ATOM 0 HG CYS A 60 1.321 19.060 -19.695 1.00 0.00 H new ATOM 898 N TYR A 61 -1.082 20.924 -16.087 1.00 0.00 N ATOM 899 CA TYR A 61 -0.989 20.087 -14.896 1.00 0.00 C ATOM 900 C TYR A 61 -1.541 18.691 -15.167 1.00 0.00 C ATOM 901 O TYR A 61 -2.750 18.466 -15.101 1.00 0.00 O ATOM 902 CB TYR A 61 -1.747 20.732 -13.734 1.00 0.00 C ATOM 903 CG TYR A 61 -1.347 22.166 -13.472 1.00 0.00 C ATOM 904 CD1 TYR A 61 -1.943 23.212 -14.166 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.374 22.475 -12.530 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.581 24.524 -13.930 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.006 23.785 -12.287 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.612 24.805 -12.989 1.00 0.00 C ATOM 909 OH TYR A 61 -0.248 26.110 -12.750 1.00 0.00 O ATOM 0 H TYR A 61 -2.013 21.301 -16.266 1.00 0.00 H new ATOM 0 HA TYR A 61 0.064 19.995 -14.628 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.816 20.694 -13.943 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.578 20.146 -12.831 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.702 22.995 -14.903 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.103 21.678 -11.978 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.054 25.325 -14.479 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.752 24.008 -11.551 1.00 0.00 H new ATOM 0 HH TYR A 61 0.446 26.135 -12.058 1.00 0.00 H new ATOM 919 N TRP A 62 -0.647 17.758 -15.471 1.00 0.00 N ATOM 920 CA TRP A 62 -1.044 16.382 -15.751 1.00 0.00 C ATOM 921 C TRP A 62 -1.034 15.543 -14.478 1.00 0.00 C ATOM 922 O TRP A 62 -0.196 15.742 -13.600 1.00 0.00 O ATOM 923 CB TRP A 62 -0.110 15.763 -16.792 1.00 0.00 C ATOM 924 CG TRP A 62 -0.796 14.784 -17.697 1.00 0.00 C ATOM 925 CD1 TRP A 62 -0.856 13.428 -17.544 1.00 0.00 C ATOM 926 CD2 TRP A 62 -1.517 15.086 -18.897 1.00 0.00 C ATOM 927 NE1 TRP A 62 -1.571 12.869 -18.575 1.00 0.00 N ATOM 928 CE2 TRP A 62 -1.988 13.865 -19.418 1.00 0.00 C ATOM 929 CE3 TRP A 62 -1.813 16.269 -19.579 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -2.736 13.796 -20.590 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -2.556 16.199 -20.743 1.00 0.00 C ATOM 932 CH2 TRP A 62 -3.011 14.970 -21.238 1.00 0.00 C ATOM 0 H TRP A 62 0.357 17.928 -15.530 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.060 16.396 -16.146 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.329 16.558 -17.395 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.711 15.261 -16.280 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.407 12.876 -16.731 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.761 11.874 -18.694 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.468 17.221 -19.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.087 12.850 -20.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -2.789 17.107 -21.279 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.590 14.948 -22.149 1.00 0.00 H new ATOM 943 N GLU A 63 -1.971 14.604 -14.386 1.00 0.00 N ATOM 944 CA GLU A 63 -2.069 13.736 -13.219 1.00 0.00 C ATOM 945 C GLU A 63 -0.689 13.252 -12.784 1.00 0.00 C ATOM 946 O GLU A 63 -0.477 12.916 -11.619 1.00 0.00 O ATOM 947 CB GLU A 63 -2.970 12.536 -13.522 1.00 0.00 C ATOM 948 CG GLU A 63 -3.046 11.530 -12.387 1.00 0.00 C ATOM 949 CD GLU A 63 -1.995 10.442 -12.500 1.00 0.00 C ATOM 950 OE1 GLU A 63 -2.182 9.519 -13.320 1.00 0.00 O ATOM 951 OE2 GLU A 63 -0.986 10.514 -11.768 1.00 0.00 O ATOM 0 H GLU A 63 -2.672 14.425 -15.105 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.506 14.313 -12.404 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.975 12.894 -13.746 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.603 12.034 -14.417 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.924 12.050 -11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.036 11.074 -12.376 1.00 0.00 H new ATOM 958 N GLU A 64 0.246 13.219 -13.729 1.00 0.00 N ATOM 959 CA GLU A 64 1.605 12.775 -13.443 1.00 0.00 C ATOM 960 C GLU A 64 2.596 13.389 -14.427 1.00 0.00 C ATOM 961 O GLU A 64 3.609 12.778 -14.768 1.00 0.00 O ATOM 962 CB GLU A 64 1.689 11.248 -13.503 1.00 0.00 C ATOM 963 CG GLU A 64 1.621 10.689 -14.914 1.00 0.00 C ATOM 964 CD GLU A 64 0.205 10.640 -15.454 1.00 0.00 C ATOM 965 OE1 GLU A 64 -0.736 10.884 -14.671 1.00 0.00 O ATOM 966 OE2 GLU A 64 0.039 10.356 -16.659 1.00 0.00 O ATOM 0 H GLU A 64 0.087 13.494 -14.698 1.00 0.00 H new ATOM 0 HA GLU A 64 1.865 13.107 -12.438 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.621 10.925 -13.038 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.875 10.824 -12.914 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.236 11.301 -15.573 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.045 9.685 -14.924 1.00 0.00 H new ATOM 973 N CYS A 65 2.297 14.602 -14.879 1.00 0.00 N ATOM 974 CA CYS A 65 3.159 15.300 -15.825 1.00 0.00 C ATOM 975 C CYS A 65 4.628 15.142 -15.440 1.00 0.00 C ATOM 976 O CYS A 65 5.012 15.296 -14.281 1.00 0.00 O ATOM 977 CB CYS A 65 2.792 16.784 -15.882 1.00 0.00 C ATOM 978 SG CYS A 65 3.282 17.613 -17.428 1.00 0.00 S ATOM 0 H CYS A 65 1.464 15.122 -14.605 1.00 0.00 H new ATOM 0 HA CYS A 65 3.010 14.858 -16.810 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.714 16.886 -15.754 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.263 17.296 -15.043 1.00 0.00 H new ATOM 0 HG CYS A 65 2.419 17.337 -18.361 1.00 0.00 H new ATOM 983 N PRO A 66 5.469 14.828 -16.437 1.00 0.00 N ATOM 984 CA PRO A 66 6.909 14.644 -16.228 1.00 0.00 C ATOM 985 C PRO A 66 7.621 15.953 -15.908 1.00 0.00 C ATOM 986 O PRO A 66 8.693 15.956 -15.303 1.00 0.00 O ATOM 987 CB PRO A 66 7.392 14.086 -17.569 1.00 0.00 C ATOM 988 CG PRO A 66 6.399 14.578 -18.565 1.00 0.00 C ATOM 989 CD PRO A 66 5.081 14.630 -17.843 1.00 0.00 C ATOM 0 HA PRO A 66 7.118 13.993 -15.379 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.396 14.437 -17.805 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.431 12.997 -17.554 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.678 15.563 -18.940 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.347 13.912 -19.426 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.456 15.446 -18.206 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.513 13.709 -17.977 1.00 0.00 H new ATOM 997 N ARG A 67 7.018 17.065 -16.316 1.00 0.00 N ATOM 998 CA ARG A 67 7.595 18.381 -16.073 1.00 0.00 C ATOM 999 C ARG A 67 7.170 18.918 -14.709 1.00 0.00 C ATOM 1000 O ARG A 67 7.799 19.825 -14.165 1.00 0.00 O ATOM 1001 CB ARG A 67 7.173 19.358 -17.172 1.00 0.00 C ATOM 1002 CG ARG A 67 7.990 19.230 -18.447 1.00 0.00 C ATOM 1003 CD ARG A 67 8.129 20.568 -19.156 1.00 0.00 C ATOM 1004 NE ARG A 67 9.100 21.438 -18.498 1.00 0.00 N ATOM 1005 CZ ARG A 67 10.408 21.384 -18.724 1.00 0.00 C ATOM 1006 NH1 ARG A 67 10.898 20.507 -19.589 1.00 0.00 N ATOM 1007 NH2 ARG A 67 11.228 22.209 -18.086 1.00 0.00 N ATOM 0 H ARG A 67 6.129 17.080 -16.817 1.00 0.00 H new ATOM 0 HA ARG A 67 8.680 18.281 -16.083 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.121 19.195 -17.407 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.262 20.377 -16.794 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.979 18.839 -18.209 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.515 18.511 -19.114 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.434 20.401 -20.189 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.159 21.065 -19.186 1.00 0.00 H new ATOM 0 HE ARG A 67 8.755 22.125 -17.828 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.270 19.872 -20.082 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.903 20.467 -19.761 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.854 22.886 -17.421 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.232 22.166 -18.261 1.00 0.00 H new ATOM 1021 N GLU A 68 6.098 18.351 -14.164 1.00 0.00 N ATOM 1022 CA GLU A 68 5.589 18.774 -12.865 1.00 0.00 C ATOM 1023 C GLU A 68 4.946 20.155 -12.956 1.00 0.00 C ATOM 1024 O GLU A 68 4.991 20.937 -12.007 1.00 0.00 O ATOM 1025 CB GLU A 68 6.716 18.792 -11.831 1.00 0.00 C ATOM 1026 CG GLU A 68 7.615 17.568 -11.890 1.00 0.00 C ATOM 1027 CD GLU A 68 8.805 17.673 -10.956 1.00 0.00 C ATOM 1028 OE1 GLU A 68 8.790 18.557 -10.074 1.00 0.00 O ATOM 1029 OE2 GLU A 68 9.750 16.871 -11.106 1.00 0.00 O ATOM 0 H GLU A 68 5.566 17.599 -14.601 1.00 0.00 H new ATOM 0 HA GLU A 68 4.829 18.058 -12.551 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.322 19.685 -11.982 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.282 18.866 -10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.034 16.682 -11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.970 17.432 -12.911 1.00 0.00 H new ATOM 1036 N GLY A 69 4.348 20.449 -14.107 1.00 0.00 N ATOM 1037 CA GLY A 69 3.705 21.735 -14.303 1.00 0.00 C ATOM 1038 C GLY A 69 4.692 22.885 -14.279 1.00 0.00 C ATOM 1039 O GLY A 69 4.522 23.844 -13.526 1.00 0.00 O ATOM 0 H GLY A 69 4.298 19.819 -14.907 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.177 21.733 -15.257 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.957 21.886 -13.525 1.00 0.00 H new ATOM 1043 N LYS A 70 5.728 22.791 -15.106 1.00 0.00 N ATOM 1044 CA LYS A 70 6.747 23.831 -15.178 1.00 0.00 C ATOM 1045 C LYS A 70 6.516 24.737 -16.384 1.00 0.00 C ATOM 1046 O LYS A 70 6.744 24.336 -17.525 1.00 0.00 O ATOM 1047 CB LYS A 70 8.141 23.204 -15.258 1.00 0.00 C ATOM 1048 CG LYS A 70 8.645 22.672 -13.927 1.00 0.00 C ATOM 1049 CD LYS A 70 9.413 23.733 -13.157 1.00 0.00 C ATOM 1050 CE LYS A 70 8.474 24.707 -12.463 1.00 0.00 C ATOM 1051 NZ LYS A 70 7.341 24.007 -11.798 1.00 0.00 N ATOM 0 H LYS A 70 5.884 22.004 -15.736 1.00 0.00 H new ATOM 0 HA LYS A 70 6.678 24.435 -14.273 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.123 22.390 -15.982 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.844 23.948 -15.632 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.801 22.327 -13.329 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.288 21.809 -14.099 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.054 23.254 -12.417 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.065 24.278 -13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.030 25.282 -11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.084 25.418 -13.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.916 24.634 -11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.625 23.753 -12.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.690 23.144 -11.335 1.00 0.00 H new ATOM 1065 N SER A 71 6.064 25.959 -16.122 1.00 0.00 N ATOM 1066 CA SER A 71 5.800 26.920 -17.186 1.00 0.00 C ATOM 1067 C SER A 71 6.997 27.032 -18.126 1.00 0.00 C ATOM 1068 O SER A 71 8.144 26.871 -17.710 1.00 0.00 O ATOM 1069 CB SER A 71 5.472 28.292 -16.593 1.00 0.00 C ATOM 1070 OG SER A 71 4.822 29.117 -17.545 1.00 0.00 O ATOM 0 H SER A 71 5.873 26.307 -15.182 1.00 0.00 H new ATOM 0 HA SER A 71 4.943 26.565 -17.758 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.835 28.170 -15.717 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.389 28.774 -16.255 1.00 0.00 H new ATOM 0 HG SER A 71 4.622 29.987 -17.141 1.00 0.00 H new ATOM 1076 N PHE A 72 6.720 27.311 -19.396 1.00 0.00 N ATOM 1077 CA PHE A 72 7.772 27.444 -20.396 1.00 0.00 C ATOM 1078 C PHE A 72 8.065 28.913 -20.686 1.00 0.00 C ATOM 1079 O PHE A 72 7.452 29.807 -20.102 1.00 0.00 O ATOM 1080 CB PHE A 72 7.371 26.728 -21.687 1.00 0.00 C ATOM 1081 CG PHE A 72 7.149 25.253 -21.511 1.00 0.00 C ATOM 1082 CD1 PHE A 72 6.090 24.785 -20.749 1.00 0.00 C ATOM 1083 CD2 PHE A 72 7.998 24.334 -22.106 1.00 0.00 C ATOM 1084 CE1 PHE A 72 5.883 23.428 -20.584 1.00 0.00 C ATOM 1085 CE2 PHE A 72 7.796 22.976 -21.945 1.00 0.00 C ATOM 1086 CZ PHE A 72 6.736 22.523 -21.184 1.00 0.00 C ATOM 0 H PHE A 72 5.776 27.449 -19.756 1.00 0.00 H new ATOM 0 HA PHE A 72 8.676 26.983 -19.999 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.459 27.181 -22.076 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.148 26.884 -22.436 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.419 25.488 -20.279 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.828 24.683 -22.703 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.055 23.076 -19.986 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.466 22.270 -22.414 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.575 21.463 -21.058 1.00 0.00 H new ATOM 1096 N LYS A 73 9.006 29.155 -21.592 1.00 0.00 N ATOM 1097 CA LYS A 73 9.381 30.515 -21.962 1.00 0.00 C ATOM 1098 C LYS A 73 8.680 30.942 -23.247 1.00 0.00 C ATOM 1099 O LYS A 73 9.116 31.873 -23.924 1.00 0.00 O ATOM 1100 CB LYS A 73 10.897 30.618 -22.137 1.00 0.00 C ATOM 1101 CG LYS A 73 11.422 32.042 -22.068 1.00 0.00 C ATOM 1102 CD LYS A 73 12.847 32.086 -21.543 1.00 0.00 C ATOM 1103 CE LYS A 73 13.837 31.561 -22.572 1.00 0.00 C ATOM 1104 NZ LYS A 73 15.246 31.848 -22.183 1.00 0.00 N ATOM 0 H LYS A 73 9.523 28.427 -22.084 1.00 0.00 H new ATOM 0 HA LYS A 73 9.068 31.183 -21.159 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.385 30.022 -21.366 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.174 30.184 -23.098 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.385 32.493 -23.060 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.777 32.638 -21.422 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.106 33.111 -21.277 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.919 31.492 -20.632 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.704 30.485 -22.688 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.628 32.014 -23.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.890 31.475 -22.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.380 32.876 -22.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.453 31.394 -21.270 1.00 0.00 H new ATOM 1118 N ALA A 74 7.590 30.257 -23.578 1.00 0.00 N ATOM 1119 CA ALA A 74 6.827 30.568 -24.780 1.00 0.00 C ATOM 1120 C ALA A 74 5.550 29.738 -24.850 1.00 0.00 C ATOM 1121 O ALA A 74 5.288 28.907 -23.980 1.00 0.00 O ATOM 1122 CB ALA A 74 7.678 30.337 -26.020 1.00 0.00 C ATOM 0 H ALA A 74 7.216 29.483 -23.030 1.00 0.00 H new ATOM 0 HA ALA A 74 6.543 31.620 -24.738 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.095 30.573 -26.910 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.558 30.978 -25.982 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.991 29.294 -26.057 1.00 0.00 H new ATOM 1128 N LYS A 75 4.756 29.969 -25.890 1.00 0.00 N ATOM 1129 CA LYS A 75 3.505 29.242 -26.075 1.00 0.00 C ATOM 1130 C LYS A 75 3.741 27.934 -26.823 1.00 0.00 C ATOM 1131 O LYS A 75 3.249 26.880 -26.421 1.00 0.00 O ATOM 1132 CB LYS A 75 2.498 30.105 -26.839 1.00 0.00 C ATOM 1133 CG LYS A 75 1.835 31.169 -25.982 1.00 0.00 C ATOM 1134 CD LYS A 75 0.856 30.559 -24.993 1.00 0.00 C ATOM 1135 CE LYS A 75 -0.333 29.929 -25.703 1.00 0.00 C ATOM 1136 NZ LYS A 75 -0.089 28.497 -26.029 1.00 0.00 N ATOM 0 H LYS A 75 4.957 30.654 -26.618 1.00 0.00 H new ATOM 0 HA LYS A 75 3.100 29.008 -25.090 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.006 30.588 -27.674 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.728 29.461 -27.263 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.598 31.729 -25.441 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.312 31.879 -26.622 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.365 29.804 -24.394 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.505 31.328 -24.305 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.218 30.012 -25.073 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.542 30.480 -26.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.166 28.357 -27.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.864 28.227 -25.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.795 27.906 -25.545 1.00 0.00 H new ATOM 1150 N TYR A 76 4.498 28.010 -27.912 1.00 0.00 N ATOM 1151 CA TYR A 76 4.799 26.832 -28.718 1.00 0.00 C ATOM 1152 C TYR A 76 5.623 25.824 -27.922 1.00 0.00 C ATOM 1153 O TYR A 76 5.613 24.628 -28.213 1.00 0.00 O ATOM 1154 CB TYR A 76 5.551 27.234 -29.987 1.00 0.00 C ATOM 1155 CG TYR A 76 7.009 27.560 -29.749 1.00 0.00 C ATOM 1156 CD1 TYR A 76 7.397 28.820 -29.312 1.00 0.00 C ATOM 1157 CD2 TYR A 76 7.997 26.606 -29.961 1.00 0.00 C ATOM 1158 CE1 TYR A 76 8.727 29.122 -29.094 1.00 0.00 C ATOM 1159 CE2 TYR A 76 9.330 26.899 -29.745 1.00 0.00 C ATOM 1160 CZ TYR A 76 9.690 28.158 -29.312 1.00 0.00 C ATOM 1161 OH TYR A 76 11.016 28.454 -29.095 1.00 0.00 O ATOM 0 H TYR A 76 4.915 28.875 -28.257 1.00 0.00 H new ATOM 0 HA TYR A 76 3.855 26.363 -28.997 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.482 26.423 -30.712 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.061 28.101 -30.430 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.646 29.577 -29.140 1.00 0.00 H new ATOM 0 HD2 TYR A 76 7.718 25.619 -30.300 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.012 30.107 -28.755 1.00 0.00 H new ATOM 0 HE2 TYR A 76 10.086 26.146 -29.914 1.00 0.00 H new ATOM 0 HH TYR A 76 11.564 27.666 -29.294 1.00 0.00 H new ATOM 1171 N LYS A 77 6.335 26.316 -26.914 1.00 0.00 N ATOM 1172 CA LYS A 77 7.164 25.461 -26.073 1.00 0.00 C ATOM 1173 C LYS A 77 6.302 24.522 -25.235 1.00 0.00 C ATOM 1174 O LYS A 77 6.635 23.349 -25.060 1.00 0.00 O ATOM 1175 CB LYS A 77 8.047 26.313 -25.158 1.00 0.00 C ATOM 1176 CG LYS A 77 9.060 27.161 -25.907 1.00 0.00 C ATOM 1177 CD LYS A 77 9.932 26.312 -26.818 1.00 0.00 C ATOM 1178 CE LYS A 77 10.596 25.177 -26.054 1.00 0.00 C ATOM 1179 NZ LYS A 77 11.485 25.682 -24.972 1.00 0.00 N ATOM 0 H LYS A 77 6.355 27.304 -26.659 1.00 0.00 H new ATOM 0 HA LYS A 77 7.799 24.859 -26.723 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.412 26.965 -24.559 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.575 25.658 -24.465 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.539 27.914 -26.498 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.688 27.694 -25.194 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.326 25.902 -27.626 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.696 26.938 -27.279 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.830 24.532 -25.623 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.176 24.565 -26.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.996 24.885 -24.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.169 26.357 -25.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.912 26.158 -24.246 1.00 0.00 H new ATOM 1193 N LEU A 78 5.194 25.044 -24.721 1.00 0.00 N ATOM 1194 CA LEU A 78 4.283 24.251 -23.902 1.00 0.00 C ATOM 1195 C LEU A 78 3.333 23.439 -24.776 1.00 0.00 C ATOM 1196 O LEU A 78 3.178 22.232 -24.587 1.00 0.00 O ATOM 1197 CB LEU A 78 3.483 25.161 -22.968 1.00 0.00 C ATOM 1198 CG LEU A 78 2.187 24.574 -22.408 1.00 0.00 C ATOM 1199 CD1 LEU A 78 2.486 23.396 -21.493 1.00 0.00 C ATOM 1200 CD2 LEU A 78 1.395 25.641 -21.666 1.00 0.00 C ATOM 0 H LEU A 78 4.904 26.013 -24.857 1.00 0.00 H new ATOM 0 HA LEU A 78 4.878 23.560 -23.305 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.123 25.442 -22.131 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.241 26.078 -23.506 1.00 0.00 H new ATOM 0 HG LEU A 78 1.583 24.216 -23.242 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.552 22.991 -21.104 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.010 22.623 -22.055 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.110 23.729 -20.664 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.476 25.205 -21.274 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.992 26.030 -20.841 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.149 26.453 -22.350 1.00 0.00 H new ATOM 1212 N VAL A 79 2.702 24.107 -25.736 1.00 0.00 N ATOM 1213 CA VAL A 79 1.770 23.447 -26.642 1.00 0.00 C ATOM 1214 C VAL A 79 2.376 22.173 -27.221 1.00 0.00 C ATOM 1215 O VAL A 79 1.685 21.171 -27.399 1.00 0.00 O ATOM 1216 CB VAL A 79 1.356 24.377 -27.798 1.00 0.00 C ATOM 1217 CG1 VAL A 79 0.506 23.625 -28.810 1.00 0.00 C ATOM 1218 CG2 VAL A 79 0.613 25.592 -27.263 1.00 0.00 C ATOM 0 H VAL A 79 2.819 25.106 -25.906 1.00 0.00 H new ATOM 0 HA VAL A 79 0.886 23.193 -26.057 1.00 0.00 H new ATOM 0 HB VAL A 79 2.257 24.724 -28.303 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.223 24.298 -29.619 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.077 22.790 -29.216 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.392 23.247 -28.322 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.328 26.239 -28.093 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.282 25.267 -26.732 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.260 26.142 -26.580 1.00 0.00 H new ATOM 1228 N ASN A 80 3.672 22.220 -27.512 1.00 0.00 N ATOM 1229 CA ASN A 80 4.371 21.069 -28.071 1.00 0.00 C ATOM 1230 C ASN A 80 4.508 19.959 -27.034 1.00 0.00 C ATOM 1231 O ASN A 80 4.420 18.775 -27.362 1.00 0.00 O ATOM 1232 CB ASN A 80 5.755 21.484 -28.576 1.00 0.00 C ATOM 1233 CG ASN A 80 6.823 21.357 -27.507 1.00 0.00 C ATOM 1234 OD1 ASN A 80 7.036 20.278 -26.952 1.00 0.00 O ATOM 1235 ND2 ASN A 80 7.499 22.461 -27.211 1.00 0.00 N ATOM 0 H ASN A 80 4.259 23.042 -27.370 1.00 0.00 H new ATOM 0 HA ASN A 80 3.784 20.689 -28.907 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.027 20.866 -29.432 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.717 22.515 -28.926 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.228 22.437 -26.498 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.289 23.333 -27.696 1.00 0.00 H new ATOM 1242 N HIS A 81 4.722 20.349 -25.782 1.00 0.00 N ATOM 1243 CA HIS A 81 4.869 19.386 -24.696 1.00 0.00 C ATOM 1244 C HIS A 81 3.622 18.517 -24.568 1.00 0.00 C ATOM 1245 O HIS A 81 3.717 17.302 -24.393 1.00 0.00 O ATOM 1246 CB HIS A 81 5.138 20.111 -23.377 1.00 0.00 C ATOM 1247 CG HIS A 81 4.531 19.434 -22.187 1.00 0.00 C ATOM 1248 ND1 HIS A 81 5.233 18.572 -21.372 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.279 19.497 -21.675 1.00 0.00 C ATOM 1250 CE1 HIS A 81 4.440 18.133 -20.411 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.248 18.680 -20.572 1.00 0.00 N ATOM 0 H HIS A 81 4.798 21.325 -25.494 1.00 0.00 H new ATOM 0 HA HIS A 81 5.717 18.741 -24.927 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.215 20.191 -23.229 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.749 21.127 -23.444 1.00 0.00 H new ATOM 0 HD1 HIS A 81 6.212 18.313 -21.492 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.457 20.081 -22.062 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.719 17.444 -19.627 1.00 0.00 H new ATOM 1259 N ILE A 82 2.456 19.147 -24.655 1.00 0.00 N ATOM 1260 CA ILE A 82 1.191 18.431 -24.549 1.00 0.00 C ATOM 1261 C ILE A 82 1.126 17.280 -25.547 1.00 0.00 C ATOM 1262 O ILE A 82 0.390 16.313 -25.348 1.00 0.00 O ATOM 1263 CB ILE A 82 -0.008 19.368 -24.784 1.00 0.00 C ATOM 1264 CG1 ILE A 82 0.209 20.701 -24.066 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -1.296 18.710 -24.312 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -1.050 21.528 -23.932 1.00 0.00 C ATOM 0 H ILE A 82 2.361 20.152 -24.799 1.00 0.00 H new ATOM 0 HA ILE A 82 1.137 18.034 -23.535 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.093 19.562 -25.853 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.614 20.507 -23.073 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.957 21.279 -24.608 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.134 19.385 -24.485 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.456 17.784 -24.865 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.222 18.488 -23.247 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.820 22.459 -23.413 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.445 21.753 -24.923 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.793 20.969 -23.363 1.00 0.00 H new ATOM 1278 N ARG A 83 1.902 17.390 -26.621 1.00 0.00 N ATOM 1279 CA ARG A 83 1.933 16.359 -27.650 1.00 0.00 C ATOM 1280 C ARG A 83 2.485 15.050 -27.092 1.00 0.00 C ATOM 1281 O ARG A 83 2.191 13.971 -27.605 1.00 0.00 O ATOM 1282 CB ARG A 83 2.782 16.818 -28.837 1.00 0.00 C ATOM 1283 CG ARG A 83 2.428 18.209 -29.337 1.00 0.00 C ATOM 1284 CD ARG A 83 0.994 18.273 -29.837 1.00 0.00 C ATOM 1285 NE ARG A 83 0.642 17.106 -30.642 1.00 0.00 N ATOM 1286 CZ ARG A 83 0.914 16.997 -31.937 1.00 0.00 C ATOM 1287 NH1 ARG A 83 1.539 17.980 -32.571 1.00 0.00 N ATOM 1288 NH2 ARG A 83 0.562 15.904 -32.601 1.00 0.00 N ATOM 0 H ARG A 83 2.517 18.183 -26.800 1.00 0.00 H new ATOM 0 HA ARG A 83 0.911 16.188 -27.988 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.833 16.801 -28.549 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.664 16.106 -29.654 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.567 18.932 -28.533 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.108 18.492 -30.141 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.316 18.344 -28.986 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.857 19.177 -30.430 1.00 0.00 H new ATOM 0 HE ARG A 83 0.161 16.332 -30.184 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.812 18.822 -32.064 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.747 17.894 -33.566 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.082 15.146 -32.117 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.772 15.822 -33.596 1.00 0.00 H new ATOM 1302 N VAL A 84 3.288 15.155 -26.038 1.00 0.00 N ATOM 1303 CA VAL A 84 3.881 13.980 -25.409 1.00 0.00 C ATOM 1304 C VAL A 84 2.865 13.252 -24.537 1.00 0.00 C ATOM 1305 O VAL A 84 3.015 12.064 -24.250 1.00 0.00 O ATOM 1306 CB VAL A 84 5.101 14.360 -24.549 1.00 0.00 C ATOM 1307 CG1 VAL A 84 5.966 15.382 -25.270 1.00 0.00 C ATOM 1308 CG2 VAL A 84 4.653 14.889 -23.195 1.00 0.00 C ATOM 0 H VAL A 84 3.543 16.041 -25.602 1.00 0.00 H new ATOM 0 HA VAL A 84 4.204 13.319 -26.213 1.00 0.00 H new ATOM 0 HB VAL A 84 5.701 13.465 -24.384 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.823 15.638 -24.647 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.316 14.962 -26.213 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.380 16.280 -25.468 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.527 15.153 -22.600 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.031 15.773 -23.337 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.079 14.121 -22.676 1.00 0.00 H new ATOM 1318 N HIS A 85 1.829 13.971 -24.118 1.00 0.00 N ATOM 1319 CA HIS A 85 0.785 13.393 -23.278 1.00 0.00 C ATOM 1320 C HIS A 85 -0.115 12.468 -24.091 1.00 0.00 C ATOM 1321 O HIS A 85 -0.805 11.611 -23.538 1.00 0.00 O ATOM 1322 CB HIS A 85 -0.050 14.498 -22.632 1.00 0.00 C ATOM 1323 CG HIS A 85 0.616 15.140 -21.453 1.00 0.00 C ATOM 1324 ND1 HIS A 85 1.490 14.468 -20.625 1.00 0.00 N ATOM 1325 CD2 HIS A 85 0.532 16.400 -20.966 1.00 0.00 C ATOM 1326 CE1 HIS A 85 1.913 15.287 -19.678 1.00 0.00 C ATOM 1327 NE2 HIS A 85 1.347 16.466 -19.863 1.00 0.00 N ATOM 0 H HIS A 85 1.689 14.955 -24.346 1.00 0.00 H new ATOM 0 HA HIS A 85 1.266 12.807 -22.495 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -0.265 15.263 -23.378 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -1.007 14.082 -22.317 1.00 0.00 H new ATOM 0 HD1 HIS A 85 1.767 13.492 -20.727 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.065 17.204 -21.370 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.604 15.035 -18.887 1.00 0.00 H new ATOM 1335 N THR A 86 -0.106 12.648 -25.409 1.00 0.00 N ATOM 1336 CA THR A 86 -0.923 11.831 -26.297 1.00 0.00 C ATOM 1337 C THR A 86 -0.141 10.629 -26.813 1.00 0.00 C ATOM 1338 O THR A 86 -0.566 9.485 -26.654 1.00 0.00 O ATOM 1339 CB THR A 86 -1.436 12.649 -27.498 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.505 12.562 -28.583 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.638 14.107 -27.113 1.00 0.00 C ATOM 0 H THR A 86 0.458 13.352 -25.884 1.00 0.00 H new ATOM 0 HA THR A 86 -1.775 11.483 -25.712 1.00 0.00 H new ATOM 0 HB THR A 86 -2.395 12.235 -27.808 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.345 12.972 -28.318 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.000 14.665 -27.977 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.368 14.173 -26.306 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.690 14.530 -26.780 1.00 0.00 H new ATOM 1407 N PHE A 91 6.840 13.965 -36.965 1.00 0.00 N ATOM 1408 CA PHE A 91 7.422 13.448 -38.197 1.00 0.00 C ATOM 1409 C PHE A 91 8.442 12.353 -37.900 1.00 0.00 C ATOM 1410 O PHE A 91 9.255 12.460 -36.981 1.00 0.00 O ATOM 1411 CB PHE A 91 8.086 14.578 -38.986 1.00 0.00 C ATOM 1412 CG PHE A 91 8.551 15.717 -38.125 1.00 0.00 C ATOM 1413 CD1 PHE A 91 9.586 15.542 -37.221 1.00 0.00 C ATOM 1414 CD2 PHE A 91 7.952 16.964 -38.219 1.00 0.00 C ATOM 1415 CE1 PHE A 91 10.017 16.589 -36.427 1.00 0.00 C ATOM 1416 CE2 PHE A 91 8.379 18.014 -37.429 1.00 0.00 C ATOM 1417 CZ PHE A 91 9.411 17.826 -36.531 1.00 0.00 C ATOM 0 HA PHE A 91 6.619 13.019 -38.796 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.938 14.176 -39.534 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.381 14.957 -39.726 1.00 0.00 H new ATOM 0 HD1 PHE A 91 10.062 14.576 -37.135 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.143 17.116 -38.918 1.00 0.00 H new ATOM 0 HE1 PHE A 91 10.826 16.440 -35.727 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.906 18.981 -37.514 1.00 0.00 H new ATOM 0 HZ PHE A 91 9.744 18.645 -35.911 1.00 0.00 H new ATOM 1427 N PRO A 92 8.399 11.273 -38.694 1.00 0.00 N ATOM 1428 CA PRO A 92 9.312 10.137 -38.536 1.00 0.00 C ATOM 1429 C PRO A 92 10.745 10.486 -38.923 1.00 0.00 C ATOM 1430 O PRO A 92 11.092 11.659 -39.065 1.00 0.00 O ATOM 1431 CB PRO A 92 8.740 9.087 -39.492 1.00 0.00 C ATOM 1432 CG PRO A 92 8.004 9.872 -40.521 1.00 0.00 C ATOM 1433 CD PRO A 92 7.456 11.078 -39.809 1.00 0.00 C ATOM 0 HA PRO A 92 9.372 9.803 -37.500 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.532 8.489 -39.942 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.076 8.397 -38.971 1.00 0.00 H new ATOM 0 HG2 PRO A 92 8.667 10.167 -41.335 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.201 9.281 -40.962 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.421 11.949 -40.463 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.441 10.907 -39.451 1.00 0.00 H new ATOM 1441 N CYS A 93 11.573 9.461 -39.094 1.00 0.00 N ATOM 1442 CA CYS A 93 12.969 9.659 -39.465 1.00 0.00 C ATOM 1443 C CYS A 93 13.142 9.601 -40.980 1.00 0.00 C ATOM 1444 O CYS A 93 12.588 8.738 -41.661 1.00 0.00 O ATOM 1445 CB CYS A 93 13.851 8.601 -38.799 1.00 0.00 C ATOM 1446 SG CYS A 93 15.622 8.750 -39.199 1.00 0.00 S ATOM 0 H CYS A 93 11.301 8.484 -38.981 1.00 0.00 H new ATOM 0 HA CYS A 93 13.274 10.647 -39.119 1.00 0.00 H new ATOM 0 HB2 CYS A 93 13.727 8.668 -37.718 1.00 0.00 H new ATOM 0 HB3 CYS A 93 13.504 7.612 -39.099 1.00 0.00 H new ATOM 0 HG CYS A 93 16.326 8.598 -38.117 1.00 0.00 H new ATOM 1451 N PRO A 94 13.930 10.542 -41.522 1.00 0.00 N ATOM 1452 CA PRO A 94 14.196 10.619 -42.962 1.00 0.00 C ATOM 1453 C PRO A 94 15.066 9.467 -43.453 1.00 0.00 C ATOM 1454 O PRO A 94 15.435 9.411 -44.626 1.00 0.00 O ATOM 1455 CB PRO A 94 14.934 11.951 -43.115 1.00 0.00 C ATOM 1456 CG PRO A 94 15.563 12.191 -41.786 1.00 0.00 C ATOM 1457 CD PRO A 94 14.623 11.602 -40.771 1.00 0.00 C ATOM 0 HA PRO A 94 13.281 10.554 -43.550 1.00 0.00 H new ATOM 0 HB2 PRO A 94 15.684 11.900 -43.904 1.00 0.00 H new ATOM 0 HB3 PRO A 94 14.248 12.756 -43.379 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.545 11.721 -41.728 1.00 0.00 H new ATOM 0 HG3 PRO A 94 15.709 13.257 -41.610 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.160 11.200 -39.912 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.924 12.347 -40.390 1.00 0.00 H new ATOM 1465 N PHE A 95 15.391 8.549 -42.548 1.00 0.00 N ATOM 1466 CA PHE A 95 16.219 7.399 -42.890 1.00 0.00 C ATOM 1467 C PHE A 95 15.368 6.140 -43.034 1.00 0.00 C ATOM 1468 O PHE A 95 14.598 5.776 -42.145 1.00 0.00 O ATOM 1469 CB PHE A 95 17.294 7.182 -41.823 1.00 0.00 C ATOM 1470 CG PHE A 95 18.565 6.590 -42.364 1.00 0.00 C ATOM 1471 CD1 PHE A 95 18.558 5.353 -42.986 1.00 0.00 C ATOM 1472 CD2 PHE A 95 19.766 7.272 -42.248 1.00 0.00 C ATOM 1473 CE1 PHE A 95 19.725 4.806 -43.485 1.00 0.00 C ATOM 1474 CE2 PHE A 95 20.936 6.730 -42.745 1.00 0.00 C ATOM 1475 CZ PHE A 95 20.916 5.495 -43.363 1.00 0.00 C ATOM 0 H PHE A 95 15.093 8.580 -41.573 1.00 0.00 H new ATOM 0 HA PHE A 95 16.702 7.602 -43.846 1.00 0.00 H new ATOM 0 HB2 PHE A 95 17.521 8.136 -41.348 1.00 0.00 H new ATOM 0 HB3 PHE A 95 16.898 6.526 -41.048 1.00 0.00 H new ATOM 0 HD1 PHE A 95 17.630 4.809 -43.082 1.00 0.00 H new ATOM 0 HD2 PHE A 95 19.788 8.237 -41.764 1.00 0.00 H new ATOM 0 HE1 PHE A 95 19.706 3.841 -43.970 1.00 0.00 H new ATOM 0 HE2 PHE A 95 21.865 7.272 -42.650 1.00 0.00 H new ATOM 0 HZ PHE A 95 21.830 5.069 -43.750 1.00 0.00 H new ATOM 1485 N PRO A 96 15.510 5.458 -44.180 1.00 0.00 N ATOM 1486 CA PRO A 96 14.764 4.230 -44.469 1.00 0.00 C ATOM 1487 C PRO A 96 15.217 3.060 -43.602 1.00 0.00 C ATOM 1488 O PRO A 96 14.404 2.409 -42.947 1.00 0.00 O ATOM 1489 CB PRO A 96 15.081 3.960 -45.941 1.00 0.00 C ATOM 1490 CG PRO A 96 16.395 4.622 -46.174 1.00 0.00 C ATOM 1491 CD PRO A 96 16.411 5.834 -45.283 1.00 0.00 C ATOM 0 HA PRO A 96 13.700 4.341 -44.263 1.00 0.00 H new ATOM 0 HB2 PRO A 96 15.135 2.891 -46.144 1.00 0.00 H new ATOM 0 HB3 PRO A 96 14.310 4.370 -46.593 1.00 0.00 H new ATOM 0 HG2 PRO A 96 17.219 3.950 -45.934 1.00 0.00 H new ATOM 0 HG3 PRO A 96 16.509 4.905 -47.220 1.00 0.00 H new ATOM 0 HD2 PRO A 96 17.416 6.055 -44.923 1.00 0.00 H new ATOM 0 HD3 PRO A 96 16.057 6.722 -45.806 1.00 0.00 H new ATOM 1499 N GLY A 97 16.520 2.797 -43.605 1.00 0.00 N ATOM 1500 CA GLY A 97 17.058 1.705 -42.815 1.00 0.00 C ATOM 1501 C GLY A 97 16.898 1.933 -41.325 1.00 0.00 C ATOM 1502 O GLY A 97 17.251 1.074 -40.516 1.00 0.00 O ATOM 0 H GLY A 97 17.213 3.321 -44.140 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.557 0.778 -43.093 1.00 0.00 H new ATOM 0 HA3 GLY A 97 18.115 1.578 -43.048 1.00 0.00 H new ATOM 1506 N CYS A 98 16.365 3.094 -40.960 1.00 0.00 N ATOM 1507 CA CYS A 98 16.161 3.435 -39.557 1.00 0.00 C ATOM 1508 C CYS A 98 14.712 3.195 -39.145 1.00 0.00 C ATOM 1509 O CYS A 98 14.439 2.482 -38.180 1.00 0.00 O ATOM 1510 CB CYS A 98 16.540 4.896 -39.305 1.00 0.00 C ATOM 1511 SG CYS A 98 16.694 5.330 -37.542 1.00 0.00 S ATOM 0 H CYS A 98 16.066 3.815 -41.617 1.00 0.00 H new ATOM 0 HA CYS A 98 16.803 2.792 -38.955 1.00 0.00 H new ATOM 0 HB2 CYS A 98 17.486 5.106 -39.804 1.00 0.00 H new ATOM 0 HB3 CYS A 98 15.788 5.539 -39.762 1.00 0.00 H new ATOM 0 HG CYS A 98 16.903 6.608 -37.426 1.00 0.00 H new ATOM 1516 N GLY A 99 13.784 3.797 -39.884 1.00 0.00 N ATOM 1517 CA GLY A 99 12.374 3.638 -39.580 1.00 0.00 C ATOM 1518 C GLY A 99 12.039 4.037 -38.157 1.00 0.00 C ATOM 1519 O GLY A 99 11.094 3.518 -37.564 1.00 0.00 O ATOM 0 H GLY A 99 13.984 4.392 -40.688 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.786 4.242 -40.271 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.086 2.599 -39.740 1.00 0.00 H new ATOM 1523 N LYS A 100 12.817 4.963 -37.605 1.00 0.00 N ATOM 1524 CA LYS A 100 12.599 5.433 -36.242 1.00 0.00 C ATOM 1525 C LYS A 100 11.760 6.707 -36.233 1.00 0.00 C ATOM 1526 O LYS A 100 11.825 7.509 -37.165 1.00 0.00 O ATOM 1527 CB LYS A 100 13.939 5.687 -35.548 1.00 0.00 C ATOM 1528 CG LYS A 100 13.807 6.398 -34.212 1.00 0.00 C ATOM 1529 CD LYS A 100 13.245 5.476 -33.143 1.00 0.00 C ATOM 1530 CE LYS A 100 13.746 5.858 -31.758 1.00 0.00 C ATOM 1531 NZ LYS A 100 14.999 5.136 -31.403 1.00 0.00 N ATOM 0 H LYS A 100 13.604 5.403 -38.081 1.00 0.00 H new ATOM 0 HA LYS A 100 12.057 4.658 -35.700 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.445 4.734 -35.394 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.572 6.282 -36.206 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.783 6.768 -33.898 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.157 7.266 -34.323 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.156 5.517 -33.161 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.529 4.447 -33.363 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.923 6.933 -31.719 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.976 5.635 -31.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.308 5.424 -30.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.824 4.111 -31.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.741 5.369 -32.093 1.00 0.00 H new ATOM 1545 N ILE A 101 10.976 6.886 -35.176 1.00 0.00 N ATOM 1546 CA ILE A 101 10.128 8.064 -35.045 1.00 0.00 C ATOM 1547 C ILE A 101 10.273 8.696 -33.665 1.00 0.00 C ATOM 1548 O ILE A 101 10.349 7.997 -32.655 1.00 0.00 O ATOM 1549 CB ILE A 101 8.646 7.720 -35.287 1.00 0.00 C ATOM 1550 CG1 ILE A 101 8.523 6.586 -36.306 1.00 0.00 C ATOM 1551 CG2 ILE A 101 7.887 8.950 -35.761 1.00 0.00 C ATOM 1552 CD1 ILE A 101 7.093 6.259 -36.677 1.00 0.00 C ATOM 0 H ILE A 101 10.910 6.230 -34.398 1.00 0.00 H new ATOM 0 HA ILE A 101 10.456 8.775 -35.803 1.00 0.00 H new ATOM 0 HB ILE A 101 8.207 7.387 -34.346 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.071 6.858 -37.208 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.998 5.692 -35.902 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.842 8.691 -35.928 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.951 9.731 -35.004 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.324 9.311 -36.692 1.00 0.00 H new ATOM 0 HD11 ILE A 101 7.082 5.446 -37.403 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.546 5.955 -35.784 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.619 7.140 -37.111 1.00 0.00 H new ATOM 1564 N PHE A 102 10.308 10.024 -33.630 1.00 0.00 N ATOM 1565 CA PHE A 102 10.443 10.752 -32.373 1.00 0.00 C ATOM 1566 C PHE A 102 9.303 11.751 -32.199 1.00 0.00 C ATOM 1567 O PHE A 102 8.772 12.280 -33.175 1.00 0.00 O ATOM 1568 CB PHE A 102 11.788 11.481 -32.324 1.00 0.00 C ATOM 1569 CG PHE A 102 12.955 10.613 -32.699 1.00 0.00 C ATOM 1570 CD1 PHE A 102 13.105 10.155 -33.998 1.00 0.00 C ATOM 1571 CD2 PHE A 102 13.901 10.255 -31.752 1.00 0.00 C ATOM 1572 CE1 PHE A 102 14.177 9.355 -34.345 1.00 0.00 C ATOM 1573 CE2 PHE A 102 14.976 9.456 -32.094 1.00 0.00 C ATOM 1574 CZ PHE A 102 15.115 9.006 -33.392 1.00 0.00 C ATOM 0 H PHE A 102 10.245 10.618 -34.457 1.00 0.00 H new ATOM 0 HA PHE A 102 10.399 10.031 -31.557 1.00 0.00 H new ATOM 0 HB2 PHE A 102 11.752 12.338 -32.996 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.944 11.871 -31.318 1.00 0.00 H new ATOM 0 HD1 PHE A 102 12.376 10.426 -34.747 1.00 0.00 H new ATOM 0 HD2 PHE A 102 13.797 10.604 -30.735 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.282 9.003 -35.361 1.00 0.00 H new ATOM 0 HE2 PHE A 102 15.707 9.184 -31.347 1.00 0.00 H new ATOM 0 HZ PHE A 102 15.955 8.383 -33.662 1.00 0.00 H new ATOM 1584 N ALA A 103 8.933 12.004 -30.948 1.00 0.00 N ATOM 1585 CA ALA A 103 7.858 12.940 -30.644 1.00 0.00 C ATOM 1586 C ALA A 103 8.394 14.358 -30.479 1.00 0.00 C ATOM 1587 O ALA A 103 7.631 15.324 -30.475 1.00 0.00 O ATOM 1588 CB ALA A 103 7.118 12.505 -29.388 1.00 0.00 C ATOM 0 H ALA A 103 9.362 11.574 -30.129 1.00 0.00 H new ATOM 0 HA ALA A 103 7.161 12.938 -31.482 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.318 13.213 -29.173 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.693 11.513 -29.541 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.812 12.476 -28.548 1.00 0.00 H new ATOM 1594 N ARG A 104 9.711 14.475 -30.342 1.00 0.00 N ATOM 1595 CA ARG A 104 10.349 15.775 -30.175 1.00 0.00 C ATOM 1596 C ARG A 104 11.152 16.151 -31.417 1.00 0.00 C ATOM 1597 O ARG A 104 11.941 15.353 -31.924 1.00 0.00 O ATOM 1598 CB ARG A 104 11.264 15.764 -28.948 1.00 0.00 C ATOM 1599 CG ARG A 104 11.391 17.119 -28.271 1.00 0.00 C ATOM 1600 CD ARG A 104 12.386 17.076 -27.123 1.00 0.00 C ATOM 1601 NE ARG A 104 11.819 16.455 -25.929 1.00 0.00 N ATOM 1602 CZ ARG A 104 12.540 16.104 -24.870 1.00 0.00 C ATOM 1603 NH1 ARG A 104 13.849 16.313 -24.856 1.00 0.00 N ATOM 1604 NH2 ARG A 104 11.951 15.544 -23.821 1.00 0.00 N ATOM 0 H ARG A 104 10.357 13.685 -30.343 1.00 0.00 H new ATOM 0 HA ARG A 104 9.566 16.519 -30.030 1.00 0.00 H new ATOM 0 HB2 ARG A 104 10.882 15.041 -28.227 1.00 0.00 H new ATOM 0 HB3 ARG A 104 12.255 15.422 -29.247 1.00 0.00 H new ATOM 0 HG2 ARG A 104 11.708 17.864 -29.001 1.00 0.00 H new ATOM 0 HG3 ARG A 104 10.416 17.433 -27.898 1.00 0.00 H new ATOM 0 HD2 ARG A 104 13.273 16.523 -27.433 1.00 0.00 H new ATOM 0 HD3 ARG A 104 12.709 18.090 -26.886 1.00 0.00 H new ATOM 0 HE ARG A 104 10.814 16.281 -25.907 1.00 0.00 H new ATOM 0 HH11 ARG A 104 14.305 16.744 -25.660 1.00 0.00 H new ATOM 0 HH12 ARG A 104 14.400 16.042 -24.041 1.00 0.00 H new ATOM 0 HH21 ARG A 104 10.944 15.383 -23.827 1.00 0.00 H new ATOM 0 HH22 ARG A 104 12.505 15.275 -23.008 1.00 0.00 H new ATOM 1618 N SER A 105 10.943 17.370 -31.903 1.00 0.00 N ATOM 1619 CA SER A 105 11.644 17.851 -33.089 1.00 0.00 C ATOM 1620 C SER A 105 13.148 17.914 -32.843 1.00 0.00 C ATOM 1621 O SER A 105 13.944 17.522 -33.695 1.00 0.00 O ATOM 1622 CB SER A 105 11.122 19.232 -33.491 1.00 0.00 C ATOM 1623 OG SER A 105 9.725 19.331 -33.278 1.00 0.00 O ATOM 0 H SER A 105 10.294 18.043 -31.495 1.00 0.00 H new ATOM 0 HA SER A 105 11.456 17.149 -33.902 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.636 20.001 -32.914 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.347 19.418 -34.541 1.00 0.00 H new ATOM 0 HG SER A 105 9.416 20.223 -33.541 1.00 0.00 H new ATOM 1629 N GLU A 106 13.529 18.412 -31.670 1.00 0.00 N ATOM 1630 CA GLU A 106 14.938 18.528 -31.312 1.00 0.00 C ATOM 1631 C GLU A 106 15.588 17.152 -31.209 1.00 0.00 C ATOM 1632 O GLU A 106 16.799 17.012 -31.371 1.00 0.00 O ATOM 1633 CB GLU A 106 15.089 19.277 -29.986 1.00 0.00 C ATOM 1634 CG GLU A 106 16.506 19.260 -29.436 1.00 0.00 C ATOM 1635 CD GLU A 106 16.624 19.982 -28.108 1.00 0.00 C ATOM 1636 OE1 GLU A 106 16.576 21.229 -28.104 1.00 0.00 O ATOM 1637 OE2 GLU A 106 16.765 19.298 -27.072 1.00 0.00 O ATOM 0 H GLU A 106 12.883 18.741 -30.953 1.00 0.00 H new ATOM 0 HA GLU A 106 15.442 19.090 -32.098 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.774 20.311 -30.125 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.417 18.835 -29.250 1.00 0.00 H new ATOM 0 HG2 GLU A 106 16.832 18.227 -29.314 1.00 0.00 H new ATOM 0 HG3 GLU A 106 17.178 19.723 -30.158 1.00 0.00 H new ATOM 1644 N ASN A 107 14.773 16.138 -30.937 1.00 0.00 N ATOM 1645 CA ASN A 107 15.268 14.772 -30.810 1.00 0.00 C ATOM 1646 C ASN A 107 15.577 14.176 -32.180 1.00 0.00 C ATOM 1647 O ASN A 107 16.632 13.573 -32.384 1.00 0.00 O ATOM 1648 CB ASN A 107 14.242 13.900 -30.082 1.00 0.00 C ATOM 1649 CG ASN A 107 14.300 14.075 -28.577 1.00 0.00 C ATOM 1650 OD1 ASN A 107 14.813 15.075 -28.076 1.00 0.00 O ATOM 1651 ND2 ASN A 107 13.772 13.098 -27.848 1.00 0.00 N ATOM 0 H ASN A 107 13.767 16.236 -30.800 1.00 0.00 H new ATOM 0 HA ASN A 107 16.189 14.799 -30.228 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.241 14.149 -30.436 1.00 0.00 H new ATOM 0 HB3 ASN A 107 14.417 12.853 -30.331 1.00 0.00 H new ATOM 0 HD21 ASN A 107 13.782 13.159 -26.830 1.00 0.00 H new ATOM 0 HD22 ASN A 107 13.357 12.287 -28.306 1.00 0.00 H new ATOM 1658 N LEU A 108 14.651 14.350 -33.117 1.00 0.00 N ATOM 1659 CA LEU A 108 14.824 13.830 -34.469 1.00 0.00 C ATOM 1660 C LEU A 108 16.064 14.427 -35.128 1.00 0.00 C ATOM 1661 O LEU A 108 16.931 13.702 -35.616 1.00 0.00 O ATOM 1662 CB LEU A 108 13.587 14.134 -35.315 1.00 0.00 C ATOM 1663 CG LEU A 108 13.697 13.810 -36.806 1.00 0.00 C ATOM 1664 CD1 LEU A 108 14.376 12.465 -37.011 1.00 0.00 C ATOM 1665 CD2 LEU A 108 12.322 13.820 -37.457 1.00 0.00 C ATOM 0 H LEU A 108 13.773 14.847 -32.965 1.00 0.00 H new ATOM 0 HA LEU A 108 14.955 12.750 -34.402 1.00 0.00 H new ATOM 0 HB2 LEU A 108 12.745 13.578 -34.904 1.00 0.00 H new ATOM 0 HB3 LEU A 108 13.351 15.193 -35.210 1.00 0.00 H new ATOM 0 HG LEU A 108 14.307 14.578 -37.281 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.445 12.251 -38.078 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.377 12.493 -36.581 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.793 11.685 -36.522 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.420 13.588 -38.517 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.688 13.074 -36.979 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.872 14.806 -37.342 1.00 0.00 H new ATOM 1677 N LYS A 109 16.142 15.753 -35.136 1.00 0.00 N ATOM 1678 CA LYS A 109 17.277 16.450 -35.730 1.00 0.00 C ATOM 1679 C LYS A 109 18.592 15.946 -35.145 1.00 0.00 C ATOM 1680 O LYS A 109 19.519 15.605 -35.880 1.00 0.00 O ATOM 1681 CB LYS A 109 17.151 17.958 -35.505 1.00 0.00 C ATOM 1682 CG LYS A 109 17.718 18.424 -34.176 1.00 0.00 C ATOM 1683 CD LYS A 109 17.614 19.933 -34.023 1.00 0.00 C ATOM 1684 CE LYS A 109 18.726 20.647 -34.776 1.00 0.00 C ATOM 1685 NZ LYS A 109 18.876 22.061 -34.332 1.00 0.00 N ATOM 0 H LYS A 109 15.432 16.367 -34.737 1.00 0.00 H new ATOM 0 HA LYS A 109 17.275 16.248 -36.801 1.00 0.00 H new ATOM 0 HB2 LYS A 109 17.663 18.481 -36.312 1.00 0.00 H new ATOM 0 HB3 LYS A 109 16.099 18.238 -35.560 1.00 0.00 H new ATOM 0 HG2 LYS A 109 17.183 17.937 -33.361 1.00 0.00 H new ATOM 0 HG3 LYS A 109 18.762 18.121 -34.098 1.00 0.00 H new ATOM 0 HD2 LYS A 109 16.646 20.272 -34.394 1.00 0.00 H new ATOM 0 HD3 LYS A 109 17.661 20.197 -32.966 1.00 0.00 H new ATOM 0 HE2 LYS A 109 19.666 20.117 -34.624 1.00 0.00 H new ATOM 0 HE3 LYS A 109 18.515 20.622 -35.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 19.643 22.514 -34.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 17.987 22.574 -34.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 19.102 22.084 -33.317 1.00 0.00 H new ATOM 1699 N ILE A 110 18.665 15.900 -33.819 1.00 0.00 N ATOM 1700 CA ILE A 110 19.866 15.435 -33.136 1.00 0.00 C ATOM 1701 C ILE A 110 20.132 13.964 -33.433 1.00 0.00 C ATOM 1702 O ILE A 110 21.278 13.511 -33.409 1.00 0.00 O ATOM 1703 CB ILE A 110 19.757 15.628 -31.612 1.00 0.00 C ATOM 1704 CG1 ILE A 110 19.822 17.115 -31.258 1.00 0.00 C ATOM 1705 CG2 ILE A 110 20.862 14.860 -30.901 1.00 0.00 C ATOM 1706 CD1 ILE A 110 19.308 17.429 -29.870 1.00 0.00 C ATOM 0 H ILE A 110 17.907 16.179 -33.196 1.00 0.00 H new ATOM 0 HA ILE A 110 20.695 16.035 -33.512 1.00 0.00 H new ATOM 0 HB ILE A 110 18.796 15.236 -31.279 1.00 0.00 H new ATOM 0 HG12 ILE A 110 20.854 17.455 -31.340 1.00 0.00 H new ATOM 0 HG13 ILE A 110 19.242 17.680 -31.988 1.00 0.00 H new ATOM 0 HG21 ILE A 110 20.772 15.006 -29.825 1.00 0.00 H new ATOM 0 HG22 ILE A 110 20.774 13.798 -31.132 1.00 0.00 H new ATOM 0 HG23 ILE A 110 21.833 15.225 -31.237 1.00 0.00 H new ATOM 0 HD11 ILE A 110 19.384 18.501 -29.688 1.00 0.00 H new ATOM 0 HD12 ILE A 110 18.266 17.120 -29.790 1.00 0.00 H new ATOM 0 HD13 ILE A 110 19.903 16.892 -29.131 1.00 0.00 H new ATOM 1718 N HIS A 111 19.067 13.220 -33.716 1.00 0.00 N ATOM 1719 CA HIS A 111 19.186 11.799 -34.021 1.00 0.00 C ATOM 1720 C HIS A 111 19.580 11.587 -35.480 1.00 0.00 C ATOM 1721 O HIS A 111 20.120 10.542 -35.843 1.00 0.00 O ATOM 1722 CB HIS A 111 17.869 11.081 -33.727 1.00 0.00 C ATOM 1723 CG HIS A 111 17.705 9.797 -34.481 1.00 0.00 C ATOM 1724 ND1 HIS A 111 18.213 8.594 -34.039 1.00 0.00 N ATOM 1725 CD2 HIS A 111 17.083 9.533 -35.654 1.00 0.00 C ATOM 1726 CE1 HIS A 111 17.912 7.646 -34.909 1.00 0.00 C ATOM 1727 NE2 HIS A 111 17.226 8.190 -35.898 1.00 0.00 N ATOM 0 H HIS A 111 18.112 13.578 -33.740 1.00 0.00 H new ATOM 0 HA HIS A 111 19.968 11.381 -33.388 1.00 0.00 H new ATOM 0 HB2 HIS A 111 17.808 10.876 -32.658 1.00 0.00 H new ATOM 0 HB3 HIS A 111 17.040 11.745 -33.972 1.00 0.00 H new ATOM 0 HD1 HIS A 111 18.739 8.457 -33.176 1.00 0.00 H new ATOM 0 HD2 HIS A 111 16.570 10.247 -36.281 1.00 0.00 H new ATOM 0 HE1 HIS A 111 18.181 6.603 -34.826 1.00 0.00 H new ATOM 1735 N LYS A 112 19.305 12.586 -36.312 1.00 0.00 N ATOM 1736 CA LYS A 112 19.630 12.511 -37.732 1.00 0.00 C ATOM 1737 C LYS A 112 21.078 12.923 -37.981 1.00 0.00 C ATOM 1738 O LYS A 112 21.730 12.413 -38.892 1.00 0.00 O ATOM 1739 CB LYS A 112 18.688 13.405 -38.540 1.00 0.00 C ATOM 1740 CG LYS A 112 17.368 12.740 -38.889 1.00 0.00 C ATOM 1741 CD LYS A 112 16.225 13.741 -38.905 1.00 0.00 C ATOM 1742 CE LYS A 112 16.436 14.811 -39.965 1.00 0.00 C ATOM 1743 NZ LYS A 112 15.148 15.266 -40.558 1.00 0.00 N ATOM 0 H LYS A 112 18.858 13.457 -36.027 1.00 0.00 H new ATOM 0 HA LYS A 112 19.504 11.477 -38.054 1.00 0.00 H new ATOM 0 HB2 LYS A 112 18.488 14.314 -37.973 1.00 0.00 H new ATOM 0 HB3 LYS A 112 19.188 13.707 -39.461 1.00 0.00 H new ATOM 0 HG2 LYS A 112 17.448 12.262 -39.865 1.00 0.00 H new ATOM 0 HG3 LYS A 112 17.154 11.953 -38.166 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.286 13.220 -39.094 1.00 0.00 H new ATOM 0 HD3 LYS A 112 16.137 14.210 -37.925 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.953 15.663 -39.523 1.00 0.00 H new ATOM 0 HE3 LYS A 112 17.080 14.420 -40.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.185 15.160 -41.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.369 14.691 -40.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.989 16.265 -40.318 1.00 0.00 H new ATOM 1757 N ARG A 113 21.574 13.847 -37.164 1.00 0.00 N ATOM 1758 CA ARG A 113 22.944 14.326 -37.296 1.00 0.00 C ATOM 1759 C ARG A 113 23.936 13.291 -36.774 1.00 0.00 C ATOM 1760 O ARG A 113 25.135 13.374 -37.039 1.00 0.00 O ATOM 1761 CB ARG A 113 23.121 15.644 -36.540 1.00 0.00 C ATOM 1762 CG ARG A 113 23.182 15.477 -35.031 1.00 0.00 C ATOM 1763 CD ARG A 113 23.515 16.789 -34.338 1.00 0.00 C ATOM 1764 NE ARG A 113 24.951 17.051 -34.322 1.00 0.00 N ATOM 1765 CZ ARG A 113 25.516 18.009 -33.595 1.00 0.00 C ATOM 1766 NH1 ARG A 113 24.769 18.792 -32.830 1.00 0.00 N ATOM 1767 NH2 ARG A 113 26.830 18.185 -33.634 1.00 0.00 N ATOM 0 H ARG A 113 21.047 14.278 -36.404 1.00 0.00 H new ATOM 0 HA ARG A 113 23.143 14.492 -38.355 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.036 16.128 -36.881 1.00 0.00 H new ATOM 0 HB3 ARG A 113 22.295 16.310 -36.790 1.00 0.00 H new ATOM 0 HG2 ARG A 113 22.225 15.104 -34.666 1.00 0.00 H new ATOM 0 HG3 ARG A 113 23.933 14.729 -34.777 1.00 0.00 H new ATOM 0 HD2 ARG A 113 23.003 17.607 -34.845 1.00 0.00 H new ATOM 0 HD3 ARG A 113 23.140 16.764 -33.315 1.00 0.00 H new ATOM 0 HE ARG A 113 25.554 16.466 -34.901 1.00 0.00 H new ATOM 0 HH11 ARG A 113 23.758 18.660 -32.798 1.00 0.00 H new ATOM 0 HH12 ARG A 113 25.205 19.527 -32.273 1.00 0.00 H new ATOM 0 HH21 ARG A 113 27.408 17.585 -34.222 1.00 0.00 H new ATOM 0 HH22 ARG A 113 27.263 18.921 -33.076 1.00 0.00 H new ATOM 1884 N PHE A 121 22.381 10.884 -49.770 1.00 0.00 N ATOM 1885 CA PHE A 121 21.939 11.397 -51.061 1.00 0.00 C ATOM 1886 C PHE A 121 22.403 12.837 -51.263 1.00 0.00 C ATOM 1887 O PHE A 121 21.899 13.759 -50.623 1.00 0.00 O ATOM 1888 CB PHE A 121 20.414 11.321 -51.169 1.00 0.00 C ATOM 1889 CG PHE A 121 19.889 9.917 -51.265 1.00 0.00 C ATOM 1890 CD1 PHE A 121 19.780 9.287 -52.494 1.00 0.00 C ATOM 1891 CD2 PHE A 121 19.504 9.228 -50.126 1.00 0.00 C ATOM 1892 CE1 PHE A 121 19.298 7.995 -52.586 1.00 0.00 C ATOM 1893 CE2 PHE A 121 19.021 7.936 -50.212 1.00 0.00 C ATOM 1894 CZ PHE A 121 18.917 7.319 -51.443 1.00 0.00 C ATOM 0 HA PHE A 121 22.383 10.778 -51.841 1.00 0.00 H new ATOM 0 HB2 PHE A 121 19.972 11.807 -50.300 1.00 0.00 H new ATOM 0 HB3 PHE A 121 20.091 11.882 -52.046 1.00 0.00 H new ATOM 0 HD1 PHE A 121 20.075 9.812 -53.391 1.00 0.00 H new ATOM 0 HD2 PHE A 121 19.582 9.706 -49.161 1.00 0.00 H new ATOM 0 HE1 PHE A 121 19.219 7.515 -53.550 1.00 0.00 H new ATOM 0 HE2 PHE A 121 18.725 7.409 -49.317 1.00 0.00 H new ATOM 0 HZ PHE A 121 18.539 6.310 -51.512 1.00 0.00 H new ATOM 1904 N LYS A 122 23.369 13.021 -52.157 1.00 0.00 N ATOM 1905 CA LYS A 122 23.902 14.347 -52.445 1.00 0.00 C ATOM 1906 C LYS A 122 23.560 14.773 -53.869 1.00 0.00 C ATOM 1907 O LYS A 122 23.663 13.982 -54.806 1.00 0.00 O ATOM 1908 CB LYS A 122 25.420 14.362 -52.247 1.00 0.00 C ATOM 1909 CG LYS A 122 26.113 15.516 -52.951 1.00 0.00 C ATOM 1910 CD LYS A 122 26.968 15.030 -54.109 1.00 0.00 C ATOM 1911 CE LYS A 122 28.168 15.937 -54.335 1.00 0.00 C ATOM 1912 NZ LYS A 122 27.844 17.364 -54.060 1.00 0.00 N ATOM 0 H LYS A 122 23.799 12.268 -52.695 1.00 0.00 H new ATOM 0 HA LYS A 122 23.444 15.054 -51.753 1.00 0.00 H new ATOM 0 HB2 LYS A 122 25.639 14.414 -51.180 1.00 0.00 H new ATOM 0 HB3 LYS A 122 25.835 13.423 -52.612 1.00 0.00 H new ATOM 0 HG2 LYS A 122 25.367 16.220 -53.319 1.00 0.00 H new ATOM 0 HG3 LYS A 122 26.737 16.056 -52.239 1.00 0.00 H new ATOM 0 HD2 LYS A 122 27.311 14.015 -53.909 1.00 0.00 H new ATOM 0 HD3 LYS A 122 26.365 14.990 -55.016 1.00 0.00 H new ATOM 0 HE2 LYS A 122 28.989 15.620 -53.691 1.00 0.00 H new ATOM 0 HE3 LYS A 122 28.512 15.834 -55.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 28.466 17.976 -54.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 26.852 17.550 -54.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 27.987 17.564 -53.049 1.00 0.00 H new ATOM 1926 N CYS A 123 23.154 16.029 -54.024 1.00 0.00 N ATOM 1927 CA CYS A 123 22.798 16.562 -55.333 1.00 0.00 C ATOM 1928 C CYS A 123 23.904 16.293 -56.349 1.00 0.00 C ATOM 1929 O CYS A 123 25.009 16.822 -56.233 1.00 0.00 O ATOM 1930 CB CYS A 123 22.530 18.066 -55.239 1.00 0.00 C ATOM 1931 SG CYS A 123 21.907 18.807 -56.782 1.00 0.00 S ATOM 0 H CYS A 123 23.063 16.697 -53.258 1.00 0.00 H new ATOM 0 HA CYS A 123 21.891 16.059 -55.668 1.00 0.00 H new ATOM 0 HB2 CYS A 123 21.807 18.246 -54.444 1.00 0.00 H new ATOM 0 HB3 CYS A 123 23.452 18.571 -54.952 1.00 0.00 H new ATOM 0 HG CYS A 123 22.098 20.093 -56.754 1.00 0.00 H new ATOM 1936 N GLU A 124 23.597 15.468 -57.345 1.00 0.00 N ATOM 1937 CA GLU A 124 24.566 15.129 -58.381 1.00 0.00 C ATOM 1938 C GLU A 124 24.871 16.340 -59.258 1.00 0.00 C ATOM 1939 O GLU A 124 25.720 16.278 -60.147 1.00 0.00 O ATOM 1940 CB GLU A 124 24.041 13.980 -59.244 1.00 0.00 C ATOM 1941 CG GLU A 124 23.507 12.807 -58.439 1.00 0.00 C ATOM 1942 CD GLU A 124 23.330 11.556 -59.277 1.00 0.00 C ATOM 1943 OE1 GLU A 124 23.099 11.686 -60.497 1.00 0.00 O ATOM 1944 OE2 GLU A 124 23.422 10.446 -58.711 1.00 0.00 O ATOM 0 H GLU A 124 22.686 15.022 -57.457 1.00 0.00 H new ATOM 0 HA GLU A 124 25.488 14.815 -57.892 1.00 0.00 H new ATOM 0 HB2 GLU A 124 23.249 14.356 -59.891 1.00 0.00 H new ATOM 0 HB3 GLU A 124 24.843 13.629 -59.893 1.00 0.00 H new ATOM 0 HG2 GLU A 124 24.190 12.595 -57.616 1.00 0.00 H new ATOM 0 HG3 GLU A 124 22.550 13.081 -57.996 1.00 0.00 H new ATOM 1951 N PHE A 125 24.172 17.440 -59.000 1.00 0.00 N ATOM 1952 CA PHE A 125 24.367 18.666 -59.766 1.00 0.00 C ATOM 1953 C PHE A 125 25.664 19.361 -59.361 1.00 0.00 C ATOM 1954 O PHE A 125 25.847 19.725 -58.200 1.00 0.00 O ATOM 1955 CB PHE A 125 23.183 19.613 -59.562 1.00 0.00 C ATOM 1956 CG PHE A 125 22.908 20.493 -60.748 1.00 0.00 C ATOM 1957 CD1 PHE A 125 22.147 20.029 -61.810 1.00 0.00 C ATOM 1958 CD2 PHE A 125 23.410 21.783 -60.802 1.00 0.00 C ATOM 1959 CE1 PHE A 125 21.892 20.836 -62.902 1.00 0.00 C ATOM 1960 CE2 PHE A 125 23.158 22.594 -61.892 1.00 0.00 C ATOM 1961 CZ PHE A 125 22.399 22.120 -62.944 1.00 0.00 C ATOM 0 H PHE A 125 23.466 17.508 -58.267 1.00 0.00 H new ATOM 0 HA PHE A 125 24.433 18.399 -60.821 1.00 0.00 H new ATOM 0 HB2 PHE A 125 22.292 19.025 -59.341 1.00 0.00 H new ATOM 0 HB3 PHE A 125 23.375 20.240 -58.691 1.00 0.00 H new ATOM 0 HD1 PHE A 125 21.749 19.025 -61.783 1.00 0.00 H new ATOM 0 HD2 PHE A 125 24.005 22.159 -59.983 1.00 0.00 H new ATOM 0 HE1 PHE A 125 21.297 20.463 -63.722 1.00 0.00 H new ATOM 0 HE2 PHE A 125 23.554 23.598 -61.921 1.00 0.00 H new ATOM 0 HZ PHE A 125 22.202 22.752 -63.797 1.00 0.00 H new ATOM 1971 N GLU A 126 26.559 19.539 -60.327 1.00 0.00 N ATOM 1972 CA GLU A 126 27.840 20.188 -60.070 1.00 0.00 C ATOM 1973 C GLU A 126 27.638 21.640 -59.646 1.00 0.00 C ATOM 1974 O GLU A 126 26.665 22.283 -60.038 1.00 0.00 O ATOM 1975 CB GLU A 126 28.726 20.128 -61.315 1.00 0.00 C ATOM 1976 CG GLU A 126 30.188 20.436 -61.038 1.00 0.00 C ATOM 1977 CD GLU A 126 30.501 21.917 -61.138 1.00 0.00 C ATOM 1978 OE1 GLU A 126 30.475 22.452 -62.266 1.00 0.00 O ATOM 1979 OE2 GLU A 126 30.771 22.539 -60.090 1.00 0.00 O ATOM 0 H GLU A 126 26.422 19.244 -61.294 1.00 0.00 H new ATOM 0 HA GLU A 126 28.332 19.655 -59.257 1.00 0.00 H new ATOM 0 HB2 GLU A 126 28.650 19.134 -61.757 1.00 0.00 H new ATOM 0 HB3 GLU A 126 28.348 20.835 -62.054 1.00 0.00 H new ATOM 0 HG2 GLU A 126 30.448 20.080 -60.041 1.00 0.00 H new ATOM 0 HG3 GLU A 126 30.811 19.888 -61.745 1.00 0.00 H new ATOM 1986 N GLY A 127 28.565 22.150 -58.841 1.00 0.00 N ATOM 1987 CA GLY A 127 28.471 23.522 -58.377 1.00 0.00 C ATOM 1988 C GLY A 127 27.246 23.760 -57.516 1.00 0.00 C ATOM 1989 O GLY A 127 26.855 24.904 -57.283 1.00 0.00 O ATOM 0 H GLY A 127 29.379 21.638 -58.502 1.00 0.00 H new ATOM 0 HA2 GLY A 127 29.366 23.772 -57.807 1.00 0.00 H new ATOM 0 HA3 GLY A 127 28.443 24.192 -59.236 1.00 0.00 H new ATOM 1993 N CYS A 128 26.637 22.677 -57.044 1.00 0.00 N ATOM 1994 CA CYS A 128 25.447 22.772 -56.207 1.00 0.00 C ATOM 1995 C CYS A 128 25.710 22.191 -54.821 1.00 0.00 C ATOM 1996 O CYS A 128 26.339 21.141 -54.685 1.00 0.00 O ATOM 1997 CB CYS A 128 24.275 22.042 -56.865 1.00 0.00 C ATOM 1998 SG CYS A 128 22.638 22.678 -56.383 1.00 0.00 S ATOM 0 H CYS A 128 26.948 21.723 -57.227 1.00 0.00 H new ATOM 0 HA CYS A 128 25.193 23.826 -56.098 1.00 0.00 H new ATOM 0 HB2 CYS A 128 24.377 22.115 -57.948 1.00 0.00 H new ATOM 0 HB3 CYS A 128 24.331 20.984 -56.610 1.00 0.00 H new ATOM 0 HG CYS A 128 22.122 21.905 -55.474 1.00 0.00 H new ATOM 2003 N ASP A 129 25.225 22.881 -53.794 1.00 0.00 N ATOM 2004 CA ASP A 129 25.405 22.433 -52.418 1.00 0.00 C ATOM 2005 C ASP A 129 24.062 22.107 -51.772 1.00 0.00 C ATOM 2006 O ASP A 129 23.293 23.006 -51.430 1.00 0.00 O ATOM 2007 CB ASP A 129 26.132 23.503 -51.602 1.00 0.00 C ATOM 2008 CG ASP A 129 25.530 24.882 -51.790 1.00 0.00 C ATOM 2009 OD1 ASP A 129 24.608 25.237 -51.026 1.00 0.00 O ATOM 2010 OD2 ASP A 129 25.982 25.607 -52.701 1.00 0.00 O ATOM 0 H ASP A 129 24.704 23.753 -53.889 1.00 0.00 H new ATOM 0 HA ASP A 129 26.009 21.526 -52.433 1.00 0.00 H new ATOM 0 HB2 ASP A 129 26.098 23.236 -50.546 1.00 0.00 H new ATOM 0 HB3 ASP A 129 27.183 23.526 -51.892 1.00 0.00 H new ATOM 2015 N ARG A 130 23.787 20.817 -51.609 1.00 0.00 N ATOM 2016 CA ARG A 130 22.537 20.373 -51.006 1.00 0.00 C ATOM 2017 C ARG A 130 22.706 19.008 -50.346 1.00 0.00 C ATOM 2018 O ARG A 130 23.810 18.467 -50.290 1.00 0.00 O ATOM 2019 CB ARG A 130 21.432 20.308 -52.062 1.00 0.00 C ATOM 2020 CG ARG A 130 21.245 21.606 -52.830 1.00 0.00 C ATOM 2021 CD ARG A 130 20.703 22.710 -51.935 1.00 0.00 C ATOM 2022 NE ARG A 130 21.114 24.035 -52.390 1.00 0.00 N ATOM 2023 CZ ARG A 130 20.550 25.163 -51.973 1.00 0.00 C ATOM 2024 NH1 ARG A 130 19.557 25.126 -51.095 1.00 0.00 N ATOM 2025 NH2 ARG A 130 20.979 26.331 -52.434 1.00 0.00 N ATOM 0 H ARG A 130 24.413 20.061 -51.886 1.00 0.00 H new ATOM 0 HA ARG A 130 22.256 21.095 -50.239 1.00 0.00 H new ATOM 0 HB2 ARG A 130 21.662 19.509 -52.767 1.00 0.00 H new ATOM 0 HB3 ARG A 130 20.492 20.045 -51.576 1.00 0.00 H new ATOM 0 HG2 ARG A 130 22.198 21.918 -53.257 1.00 0.00 H new ATOM 0 HG3 ARG A 130 20.561 21.442 -53.662 1.00 0.00 H new ATOM 0 HD2 ARG A 130 19.615 22.656 -51.912 1.00 0.00 H new ATOM 0 HD3 ARG A 130 21.052 22.553 -50.914 1.00 0.00 H new ATOM 0 HE ARG A 130 21.876 24.098 -53.065 1.00 0.00 H new ATOM 0 HH11 ARG A 130 19.225 24.230 -50.738 1.00 0.00 H new ATOM 0 HH12 ARG A 130 19.125 25.994 -50.776 1.00 0.00 H new ATOM 0 HH21 ARG A 130 21.743 26.363 -53.109 1.00 0.00 H new ATOM 0 HH22 ARG A 130 20.545 27.196 -52.113 1.00 0.00 H new ATOM 2039 N ARG A 131 21.604 18.456 -49.848 1.00 0.00 N ATOM 2040 CA ARG A 131 21.631 17.156 -49.191 1.00 0.00 C ATOM 2041 C ARG A 131 20.253 16.501 -49.224 1.00 0.00 C ATOM 2042 O ARG A 131 19.229 17.185 -49.260 1.00 0.00 O ATOM 2043 CB ARG A 131 22.102 17.302 -47.743 1.00 0.00 C ATOM 2044 CG ARG A 131 21.434 18.445 -46.997 1.00 0.00 C ATOM 2045 CD ARG A 131 20.136 17.999 -46.341 1.00 0.00 C ATOM 2046 NE ARG A 131 19.407 19.120 -45.752 1.00 0.00 N ATOM 2047 CZ ARG A 131 18.529 18.987 -44.764 1.00 0.00 C ATOM 2048 NH1 ARG A 131 18.273 17.790 -44.257 1.00 0.00 N ATOM 2049 NH2 ARG A 131 17.906 20.055 -44.282 1.00 0.00 N ATOM 0 H ARG A 131 20.682 18.890 -49.887 1.00 0.00 H new ATOM 0 HA ARG A 131 22.331 16.519 -49.732 1.00 0.00 H new ATOM 0 HB2 ARG A 131 21.909 16.370 -47.211 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.181 17.456 -47.735 1.00 0.00 H new ATOM 0 HG2 ARG A 131 22.113 18.831 -46.237 1.00 0.00 H new ATOM 0 HG3 ARG A 131 21.231 19.263 -47.688 1.00 0.00 H new ATOM 0 HD2 ARG A 131 19.506 17.506 -47.082 1.00 0.00 H new ATOM 0 HD3 ARG A 131 20.355 17.263 -45.568 1.00 0.00 H new ATOM 0 HE ARG A 131 19.582 20.055 -46.119 1.00 0.00 H new ATOM 0 HH11 ARG A 131 18.751 16.967 -44.625 1.00 0.00 H new ATOM 0 HH12 ARG A 131 17.598 17.691 -43.498 1.00 0.00 H new ATOM 0 HH21 ARG A 131 18.101 20.978 -44.670 1.00 0.00 H new ATOM 0 HH22 ARG A 131 17.232 19.953 -43.523 1.00 0.00 H new ATOM 2063 N PHE A 132 20.234 15.172 -49.213 1.00 0.00 N ATOM 2064 CA PHE A 132 18.982 14.425 -49.244 1.00 0.00 C ATOM 2065 C PHE A 132 19.127 13.091 -48.517 1.00 0.00 C ATOM 2066 O PHE A 132 20.238 12.631 -48.257 1.00 0.00 O ATOM 2067 CB PHE A 132 18.542 14.185 -50.690 1.00 0.00 C ATOM 2068 CG PHE A 132 18.619 15.413 -51.551 1.00 0.00 C ATOM 2069 CD1 PHE A 132 17.678 16.422 -51.428 1.00 0.00 C ATOM 2070 CD2 PHE A 132 19.633 15.558 -52.485 1.00 0.00 C ATOM 2071 CE1 PHE A 132 17.746 17.554 -52.219 1.00 0.00 C ATOM 2072 CE2 PHE A 132 19.706 16.688 -53.278 1.00 0.00 C ATOM 2073 CZ PHE A 132 18.761 17.686 -53.146 1.00 0.00 C ATOM 0 H PHE A 132 21.071 14.590 -49.183 1.00 0.00 H new ATOM 0 HA PHE A 132 18.222 15.017 -48.734 1.00 0.00 H new ATOM 0 HB2 PHE A 132 19.166 13.405 -51.127 1.00 0.00 H new ATOM 0 HB3 PHE A 132 17.518 13.813 -50.693 1.00 0.00 H new ATOM 0 HD1 PHE A 132 16.881 16.323 -50.705 1.00 0.00 H new ATOM 0 HD2 PHE A 132 20.374 14.780 -52.594 1.00 0.00 H new ATOM 0 HE1 PHE A 132 17.006 18.334 -52.112 1.00 0.00 H new ATOM 0 HE2 PHE A 132 20.502 16.790 -54.001 1.00 0.00 H new ATOM 0 HZ PHE A 132 18.816 18.568 -53.767 1.00 0.00 H new ATOM 2083 N ALA A 133 17.995 12.476 -48.191 1.00 0.00 N ATOM 2084 CA ALA A 133 17.994 11.195 -47.495 1.00 0.00 C ATOM 2085 C ALA A 133 17.353 10.107 -48.349 1.00 0.00 C ATOM 2086 O ALA A 133 17.506 8.918 -48.074 1.00 0.00 O ATOM 2087 CB ALA A 133 17.270 11.319 -46.163 1.00 0.00 C ATOM 0 H ALA A 133 17.067 12.844 -48.398 1.00 0.00 H new ATOM 0 HA ALA A 133 19.029 10.910 -47.308 1.00 0.00 H new ATOM 0 HB1 ALA A 133 17.277 10.355 -45.654 1.00 0.00 H new ATOM 0 HB2 ALA A 133 17.774 12.060 -45.543 1.00 0.00 H new ATOM 0 HB3 ALA A 133 16.240 11.630 -46.336 1.00 0.00 H new ATOM 2093 N ASN A 134 16.634 10.522 -49.387 1.00 0.00 N ATOM 2094 CA ASN A 134 15.968 9.581 -50.281 1.00 0.00 C ATOM 2095 C ASN A 134 16.093 10.030 -51.734 1.00 0.00 C ATOM 2096 O ASN A 134 15.799 11.178 -52.067 1.00 0.00 O ATOM 2097 CB ASN A 134 14.492 9.445 -49.903 1.00 0.00 C ATOM 2098 CG ASN A 134 13.829 10.788 -49.666 1.00 0.00 C ATOM 2099 OD1 ASN A 134 13.185 11.341 -50.558 1.00 0.00 O ATOM 2100 ND2 ASN A 134 13.983 11.319 -48.459 1.00 0.00 N ATOM 0 H ASN A 134 16.498 11.503 -49.630 1.00 0.00 H new ATOM 0 HA ASN A 134 16.454 8.611 -50.176 1.00 0.00 H new ATOM 0 HB2 ASN A 134 13.964 8.917 -50.697 1.00 0.00 H new ATOM 0 HB3 ASN A 134 14.405 8.836 -49.003 1.00 0.00 H new ATOM 0 HD21 ASN A 134 13.559 12.221 -48.241 1.00 0.00 H new ATOM 0 HD22 ASN A 134 14.525 10.825 -47.750 1.00 0.00 H new ATOM 2107 N SER A 135 16.531 9.116 -52.594 1.00 0.00 N ATOM 2108 CA SER A 135 16.698 9.418 -54.011 1.00 0.00 C ATOM 2109 C SER A 135 15.528 10.247 -54.531 1.00 0.00 C ATOM 2110 O SER A 135 15.701 11.121 -55.380 1.00 0.00 O ATOM 2111 CB SER A 135 16.821 8.125 -54.818 1.00 0.00 C ATOM 2112 OG SER A 135 17.576 8.331 -56.000 1.00 0.00 O ATOM 0 H SER A 135 16.777 8.161 -52.334 1.00 0.00 H new ATOM 0 HA SER A 135 17.613 9.999 -54.129 1.00 0.00 H new ATOM 0 HB2 SER A 135 17.296 7.356 -54.209 1.00 0.00 H new ATOM 0 HB3 SER A 135 15.828 7.758 -55.077 1.00 0.00 H new ATOM 0 HG SER A 135 17.913 7.471 -56.327 1.00 0.00 H new ATOM 2118 N SER A 136 14.336 9.966 -54.015 1.00 0.00 N ATOM 2119 CA SER A 136 13.135 10.682 -54.430 1.00 0.00 C ATOM 2120 C SER A 136 13.307 12.186 -54.241 1.00 0.00 C ATOM 2121 O SER A 136 12.988 12.975 -55.131 1.00 0.00 O ATOM 2122 CB SER A 136 11.923 10.192 -53.635 1.00 0.00 C ATOM 2123 OG SER A 136 11.375 9.020 -54.212 1.00 0.00 O ATOM 0 H SER A 136 14.176 9.248 -53.309 1.00 0.00 H new ATOM 0 HA SER A 136 12.971 10.483 -55.489 1.00 0.00 H new ATOM 0 HB2 SER A 136 12.217 9.991 -52.605 1.00 0.00 H new ATOM 0 HB3 SER A 136 11.165 10.974 -53.603 1.00 0.00 H new ATOM 0 HG SER A 136 10.603 8.726 -53.685 1.00 0.00 H new ATOM 2129 N ASP A 137 13.814 12.575 -53.076 1.00 0.00 N ATOM 2130 CA ASP A 137 14.030 13.984 -52.769 1.00 0.00 C ATOM 2131 C ASP A 137 15.113 14.576 -53.666 1.00 0.00 C ATOM 2132 O ASP A 137 14.950 15.664 -54.217 1.00 0.00 O ATOM 2133 CB ASP A 137 14.418 14.154 -51.299 1.00 0.00 C ATOM 2134 CG ASP A 137 14.078 15.532 -50.767 1.00 0.00 C ATOM 2135 OD1 ASP A 137 13.098 16.132 -51.256 1.00 0.00 O ATOM 2136 OD2 ASP A 137 14.793 16.012 -49.861 1.00 0.00 O ATOM 0 H ASP A 137 14.083 11.934 -52.329 1.00 0.00 H new ATOM 0 HA ASP A 137 13.098 14.518 -52.955 1.00 0.00 H new ATOM 0 HB2 ASP A 137 13.905 13.400 -50.701 1.00 0.00 H new ATOM 0 HB3 ASP A 137 15.488 13.978 -51.186 1.00 0.00 H new ATOM 2141 N ARG A 138 16.219 13.852 -53.805 1.00 0.00 N ATOM 2142 CA ARG A 138 17.330 14.306 -54.633 1.00 0.00 C ATOM 2143 C ARG A 138 16.887 14.496 -56.081 1.00 0.00 C ATOM 2144 O ARG A 138 17.396 15.366 -56.788 1.00 0.00 O ATOM 2145 CB ARG A 138 18.484 13.304 -54.569 1.00 0.00 C ATOM 2146 CG ARG A 138 19.406 13.359 -55.777 1.00 0.00 C ATOM 2147 CD ARG A 138 20.802 12.864 -55.435 1.00 0.00 C ATOM 2148 NE ARG A 138 20.882 11.405 -55.439 1.00 0.00 N ATOM 2149 CZ ARG A 138 20.764 10.666 -56.536 1.00 0.00 C ATOM 2150 NH1 ARG A 138 20.562 11.245 -57.711 1.00 0.00 N ATOM 2151 NH2 ARG A 138 20.848 9.344 -56.459 1.00 0.00 N ATOM 0 H ARG A 138 16.369 12.949 -53.355 1.00 0.00 H new ATOM 0 HA ARG A 138 17.670 15.267 -54.246 1.00 0.00 H new ATOM 0 HB2 ARG A 138 19.068 13.492 -53.668 1.00 0.00 H new ATOM 0 HB3 ARG A 138 18.076 12.297 -54.480 1.00 0.00 H new ATOM 0 HG2 ARG A 138 18.990 12.752 -56.581 1.00 0.00 H new ATOM 0 HG3 ARG A 138 19.462 14.383 -56.147 1.00 0.00 H new ATOM 0 HD2 ARG A 138 21.516 13.268 -56.153 1.00 0.00 H new ATOM 0 HD3 ARG A 138 21.090 13.240 -54.453 1.00 0.00 H new ATOM 0 HE ARG A 138 21.037 10.928 -54.551 1.00 0.00 H new ATOM 0 HH11 ARG A 138 20.497 12.261 -57.774 1.00 0.00 H new ATOM 0 HH12 ARG A 138 20.472 10.675 -58.552 1.00 0.00 H new ATOM 0 HH21 ARG A 138 21.003 8.895 -55.557 1.00 0.00 H new ATOM 0 HH22 ARG A 138 20.757 8.777 -57.302 1.00 0.00 H new ATOM 2165 N LYS A 139 15.936 13.677 -56.516 1.00 0.00 N ATOM 2166 CA LYS A 139 15.423 13.754 -57.878 1.00 0.00 C ATOM 2167 C LYS A 139 14.381 14.862 -58.006 1.00 0.00 C ATOM 2168 O LYS A 139 14.126 15.365 -59.100 1.00 0.00 O ATOM 2169 CB LYS A 139 14.810 12.414 -58.291 1.00 0.00 C ATOM 2170 CG LYS A 139 15.841 11.363 -58.665 1.00 0.00 C ATOM 2171 CD LYS A 139 15.183 10.088 -59.164 1.00 0.00 C ATOM 2172 CE LYS A 139 16.215 9.074 -59.633 1.00 0.00 C ATOM 2173 NZ LYS A 139 16.758 8.272 -58.502 1.00 0.00 N ATOM 0 H LYS A 139 15.504 12.951 -55.944 1.00 0.00 H new ATOM 0 HA LYS A 139 16.257 13.985 -58.541 1.00 0.00 H new ATOM 0 HB2 LYS A 139 14.199 12.036 -57.472 1.00 0.00 H new ATOM 0 HB3 LYS A 139 14.143 12.575 -59.138 1.00 0.00 H new ATOM 0 HG2 LYS A 139 16.501 11.759 -59.437 1.00 0.00 H new ATOM 0 HG3 LYS A 139 16.463 11.137 -57.798 1.00 0.00 H new ATOM 0 HD2 LYS A 139 14.580 9.653 -58.367 1.00 0.00 H new ATOM 0 HD3 LYS A 139 14.505 10.324 -59.984 1.00 0.00 H new ATOM 0 HE2 LYS A 139 15.762 8.407 -60.366 1.00 0.00 H new ATOM 0 HE3 LYS A 139 17.032 9.593 -60.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 17.649 7.822 -58.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 16.934 8.895 -57.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 16.071 7.539 -58.235 1.00 0.00 H new ATOM 2187 N LYS A 140 13.784 15.238 -56.880 1.00 0.00 N ATOM 2188 CA LYS A 140 12.772 16.288 -56.864 1.00 0.00 C ATOM 2189 C LYS A 140 13.421 17.669 -56.885 1.00 0.00 C ATOM 2190 O LYS A 140 12.788 18.658 -57.256 1.00 0.00 O ATOM 2191 CB LYS A 140 11.883 16.149 -55.627 1.00 0.00 C ATOM 2192 CG LYS A 140 10.710 15.204 -55.824 1.00 0.00 C ATOM 2193 CD LYS A 140 10.114 14.770 -54.496 1.00 0.00 C ATOM 2194 CE LYS A 140 9.153 15.814 -53.948 1.00 0.00 C ATOM 2195 NZ LYS A 140 8.375 15.297 -52.788 1.00 0.00 N ATOM 0 H LYS A 140 13.984 14.831 -55.966 1.00 0.00 H new ATOM 0 HA LYS A 140 12.158 16.181 -57.758 1.00 0.00 H new ATOM 0 HB2 LYS A 140 12.488 15.794 -54.793 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.504 17.133 -55.350 1.00 0.00 H new ATOM 0 HG2 LYS A 140 9.944 15.694 -56.425 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.038 14.326 -56.381 1.00 0.00 H new ATOM 0 HD2 LYS A 140 9.590 13.823 -54.624 1.00 0.00 H new ATOM 0 HD3 LYS A 140 10.914 14.597 -53.776 1.00 0.00 H new ATOM 0 HE2 LYS A 140 9.712 16.699 -53.645 1.00 0.00 H new ATOM 0 HE3 LYS A 140 8.467 16.125 -54.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 7.732 16.038 -52.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 7.821 14.468 -53.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 9.028 15.024 -52.026 1.00 0.00 H new ATOM 2209 N HIS A 141 14.687 17.729 -56.485 1.00 0.00 N ATOM 2210 CA HIS A 141 15.422 18.989 -56.460 1.00 0.00 C ATOM 2211 C HIS A 141 16.028 19.292 -57.827 1.00 0.00 C ATOM 2212 O HIS A 141 16.647 20.337 -58.024 1.00 0.00 O ATOM 2213 CB HIS A 141 16.523 18.940 -55.400 1.00 0.00 C ATOM 2214 CG HIS A 141 17.562 20.006 -55.567 1.00 0.00 C ATOM 2215 ND1 HIS A 141 17.363 21.316 -55.187 1.00 0.00 N ATOM 2216 CD2 HIS A 141 18.815 19.949 -56.074 1.00 0.00 C ATOM 2217 CE1 HIS A 141 18.449 22.020 -55.455 1.00 0.00 C ATOM 2218 NE2 HIS A 141 19.345 21.213 -55.993 1.00 0.00 N ATOM 0 H HIS A 141 15.225 16.920 -56.174 1.00 0.00 H new ATOM 0 HA HIS A 141 14.721 19.785 -56.209 1.00 0.00 H new ATOM 0 HB2 HIS A 141 16.071 19.036 -54.413 1.00 0.00 H new ATOM 0 HB3 HIS A 141 17.007 17.964 -55.435 1.00 0.00 H new ATOM 0 HD2 HIS A 141 19.307 19.072 -56.469 1.00 0.00 H new ATOM 0 HE1 HIS A 141 18.581 23.075 -55.266 1.00 0.00 H new ATOM 0 HE2 HIS A 141 20.279 21.485 -56.299 1.00 0.00 H new ATOM 2226 N MET A 142 15.846 18.370 -58.767 1.00 0.00 N ATOM 2227 CA MET A 142 16.375 18.540 -60.115 1.00 0.00 C ATOM 2228 C MET A 142 15.383 19.289 -60.999 1.00 0.00 C ATOM 2229 O MET A 142 15.758 19.871 -62.017 1.00 0.00 O ATOM 2230 CB MET A 142 16.700 17.178 -60.734 1.00 0.00 C ATOM 2231 CG MET A 142 17.332 16.202 -59.756 1.00 0.00 C ATOM 2232 SD MET A 142 19.132 16.305 -59.738 1.00 0.00 S ATOM 2233 CE MET A 142 19.397 17.366 -58.320 1.00 0.00 C ATOM 0 H MET A 142 15.337 17.499 -58.620 1.00 0.00 H new ATOM 0 HA MET A 142 17.290 19.129 -60.047 1.00 0.00 H new ATOM 0 HB2 MET A 142 15.784 16.740 -61.131 1.00 0.00 H new ATOM 0 HB3 MET A 142 17.375 17.323 -61.577 1.00 0.00 H new ATOM 0 HG2 MET A 142 16.951 16.399 -58.754 1.00 0.00 H new ATOM 0 HG3 MET A 142 17.033 15.187 -60.017 1.00 0.00 H new ATOM 0 HE1 MET A 142 20.029 18.206 -58.607 1.00 0.00 H new ATOM 0 HE2 MET A 142 18.438 17.739 -57.961 1.00 0.00 H new ATOM 0 HE3 MET A 142 19.886 16.799 -57.528 1.00 0.00 H new ATOM 2243 N HIS A 143 14.114 19.270 -60.603 1.00 0.00 N ATOM 2244 CA HIS A 143 13.067 19.948 -61.359 1.00 0.00 C ATOM 2245 C HIS A 143 13.401 21.425 -61.545 1.00 0.00 C ATOM 2246 O HIS A 143 12.870 22.085 -62.438 1.00 0.00 O ATOM 2247 CB HIS A 143 11.720 19.803 -60.649 1.00 0.00 C ATOM 2248 CG HIS A 143 11.588 20.668 -59.434 1.00 0.00 C ATOM 2249 ND1 HIS A 143 11.922 22.006 -59.422 1.00 0.00 N ATOM 2250 CD2 HIS A 143 11.152 20.380 -58.185 1.00 0.00 C ATOM 2251 CE1 HIS A 143 11.700 22.502 -58.218 1.00 0.00 C ATOM 2252 NE2 HIS A 143 11.231 21.536 -57.449 1.00 0.00 N ATOM 0 H HIS A 143 13.786 18.793 -59.763 1.00 0.00 H new ATOM 0 HA HIS A 143 13.003 19.481 -62.342 1.00 0.00 H new ATOM 0 HB2 HIS A 143 10.921 20.049 -61.349 1.00 0.00 H new ATOM 0 HB3 HIS A 143 11.581 18.761 -60.360 1.00 0.00 H new ATOM 0 HD2 HIS A 143 10.806 19.419 -57.833 1.00 0.00 H new ATOM 0 HE1 HIS A 143 11.873 23.524 -57.914 1.00 0.00 H new ATOM 0 HE2 HIS A 143 10.970 21.633 -56.468 1.00 0.00 H new ATOM 2260 N VAL A 144 14.284 21.939 -60.694 1.00 0.00 N ATOM 2261 CA VAL A 144 14.689 23.338 -60.764 1.00 0.00 C ATOM 2262 C VAL A 144 16.018 23.489 -61.495 1.00 0.00 C ATOM 2263 O VAL A 144 16.380 24.583 -61.928 1.00 0.00 O ATOM 2264 CB VAL A 144 14.815 23.957 -59.359 1.00 0.00 C ATOM 2265 CG1 VAL A 144 15.112 22.881 -58.326 1.00 0.00 C ATOM 2266 CG2 VAL A 144 15.892 25.031 -59.346 1.00 0.00 C ATOM 0 H VAL A 144 14.732 21.407 -59.948 1.00 0.00 H new ATOM 0 HA VAL A 144 13.912 23.865 -61.317 1.00 0.00 H new ATOM 0 HB VAL A 144 13.865 24.423 -59.100 1.00 0.00 H new ATOM 0 HG11 VAL A 144 15.198 23.337 -57.340 1.00 0.00 H new ATOM 0 HG12 VAL A 144 14.303 22.150 -58.319 1.00 0.00 H new ATOM 0 HG13 VAL A 144 16.048 22.383 -58.578 1.00 0.00 H new ATOM 0 HG21 VAL A 144 15.968 25.458 -58.346 1.00 0.00 H new ATOM 0 HG22 VAL A 144 16.849 24.590 -59.626 1.00 0.00 H new ATOM 0 HG23 VAL A 144 15.632 25.816 -60.057 1.00 0.00 H new ATOM 2276 N HIS A 145 16.742 22.382 -61.631 1.00 0.00 N ATOM 2277 CA HIS A 145 18.032 22.391 -62.312 1.00 0.00 C ATOM 2278 C HIS A 145 17.847 22.402 -63.826 1.00 0.00 C ATOM 2279 O HIS A 145 18.641 22.997 -64.555 1.00 0.00 O ATOM 2280 CB HIS A 145 18.860 21.174 -61.896 1.00 0.00 C ATOM 2281 CG HIS A 145 19.683 21.402 -60.666 1.00 0.00 C ATOM 2282 ND1 HIS A 145 20.610 22.418 -60.557 1.00 0.00 N ATOM 2283 CD2 HIS A 145 19.714 20.739 -59.486 1.00 0.00 C ATOM 2284 CE1 HIS A 145 21.176 22.368 -59.365 1.00 0.00 C ATOM 2285 NE2 HIS A 145 20.650 21.359 -58.695 1.00 0.00 N ATOM 0 H HIS A 145 16.457 21.468 -61.279 1.00 0.00 H new ATOM 0 HA HIS A 145 18.562 23.298 -62.022 1.00 0.00 H new ATOM 0 HB2 HIS A 145 18.191 20.331 -61.724 1.00 0.00 H new ATOM 0 HB3 HIS A 145 19.519 20.895 -62.718 1.00 0.00 H new ATOM 0 HD1 HIS A 145 20.825 23.101 -61.284 1.00 0.00 H new ATOM 0 HD2 HIS A 145 19.114 19.882 -59.217 1.00 0.00 H new ATOM 0 HE1 HIS A 145 21.940 23.039 -59.000 1.00 0.00 H new