USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 796 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 102 MET CE :methyl -154:sc= 0 (180deg=-0.13) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 69 ASN : amide:sc= -1.37! C(o=-2.7!,f=-8.1!) USER MOD Set 2.2: A 73 TYR OH : rot 90:sc= 1.14 USER MOD Set 2.3: A 90 MET CE :methyl 166:sc= -2.46 (180deg=-2.49) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot -150:sc= -1.65 USER MOD Single : A 18 CYS SG : rot 147:sc= -0.819 USER MOD Single : A 19 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.689) USER MOD Single : A 22 THR OG1 : rot -76:sc= 0.107 USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= -0.408 (180deg=-1.29) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -4.5! C(o=-4.5!,f=-3.1!) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.000106 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 36 SER OG : rot -120:sc= -0.718 USER MOD Single : A 39 ASN : amide:sc= -0.0608 K(o=-0.061,f=-7.7!) USER MOD Single : A 42 SER OG : rot 150:sc= -0.0172 USER MOD Single : A 44 CYS SG : rot 79:sc= -2.43 USER MOD Single : A 48 HIS : no HD1:sc= -6.78! K(o=-6.8!,f=-4) USER MOD Single : A 49 HIS : no HD1:sc= -0.814 X(o=-0.81,f=-0.73) USER MOD Single : A 57 TYR OH : rot 130:sc= -2.22! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -3.35! C(o=-3.4!,f=-2.8!) USER MOD Single : A 63 GLN : amide:sc= -10.1! C(o=-10!,f=-14!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.226 K(o=0.23,f=-2.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -129:sc= -1.47 (180deg=-2.41!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 32:sc= 0.411 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -170:sc= -0.39 USER MOD Single : A 103 THR OG1 : rot 78:sc= 1.17 USER MOD Single : A 104 TYR OH : rot 30:sc= -0.0832 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 111 HIS : no HD1:sc=-0.000427 X(o=-0.00043,f=0) USER MOD ----------------------------------------------------------------- ATOM 115 N GLN A 12 11.846 0.958 -8.911 1.00 0.00 N ATOM 116 CA GLN A 12 10.877 0.291 -9.773 1.00 0.00 C ATOM 117 C GLN A 12 10.381 -1.002 -9.135 1.00 0.00 C ATOM 118 O GLN A 12 9.178 -1.258 -9.083 1.00 0.00 O ATOM 119 CB GLN A 12 11.498 -0.006 -11.139 1.00 0.00 C ATOM 120 CG GLN A 12 10.605 -0.837 -12.046 1.00 0.00 C ATOM 121 CD GLN A 12 11.372 -1.495 -13.177 1.00 0.00 C ATOM 122 OE1 GLN A 12 11.910 -0.817 -14.053 1.00 0.00 O ATOM 123 NE2 GLN A 12 11.425 -2.821 -13.163 1.00 0.00 N ATOM 0 HA GLN A 12 10.026 0.959 -9.906 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.730 0.936 -11.636 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.442 -0.531 -10.993 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.107 -1.605 -11.454 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.825 -0.201 -12.463 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.964 -3.342 -12.417 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.927 -3.319 -13.898 1.00 0.00 H new ATOM 132 N SER A 13 11.315 -1.815 -8.651 1.00 0.00 N ATOM 133 CA SER A 13 10.972 -3.084 -8.020 1.00 0.00 C ATOM 134 C SER A 13 9.674 -2.964 -7.228 1.00 0.00 C ATOM 135 O SER A 13 8.717 -3.703 -7.466 1.00 0.00 O ATOM 136 CB SER A 13 12.104 -3.541 -7.099 1.00 0.00 C ATOM 137 OG SER A 13 12.202 -2.707 -5.958 1.00 0.00 O ATOM 0 H SER A 13 12.315 -1.617 -8.684 1.00 0.00 H new ATOM 0 HA SER A 13 10.830 -3.826 -8.806 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.930 -4.571 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.048 -3.529 -7.644 1.00 0.00 H new ATOM 0 HG SER A 13 13.133 -2.679 -5.652 1.00 0.00 H new ATOM 143 N LEU A 14 9.647 -2.028 -6.286 1.00 0.00 N ATOM 144 CA LEU A 14 8.466 -1.809 -5.458 1.00 0.00 C ATOM 145 C LEU A 14 7.252 -1.475 -6.318 1.00 0.00 C ATOM 146 O LEU A 14 6.266 -2.212 -6.332 1.00 0.00 O ATOM 147 CB LEU A 14 8.723 -0.681 -4.457 1.00 0.00 C ATOM 148 CG LEU A 14 7.497 -0.154 -3.710 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.000 -1.184 -2.708 1.00 0.00 C ATOM 150 CD2 LEU A 14 7.820 1.159 -3.013 1.00 0.00 C ATOM 0 H LEU A 14 10.430 -1.408 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 14 8.259 -2.730 -4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.448 -1.032 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.185 0.151 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 14 6.704 0.029 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.127 -0.792 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.728 -2.100 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.788 -1.399 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.936 1.519 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.629 1.003 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.127 1.898 -3.753 1.00 0.00 H new ATOM 162 N LEU A 15 7.331 -0.360 -7.036 1.00 0.00 N ATOM 163 CA LEU A 15 6.239 0.072 -7.902 1.00 0.00 C ATOM 164 C LEU A 15 5.575 -1.124 -8.577 1.00 0.00 C ATOM 165 O LEU A 15 4.353 -1.170 -8.719 1.00 0.00 O ATOM 166 CB LEU A 15 6.757 1.047 -8.961 1.00 0.00 C ATOM 167 CG LEU A 15 5.693 1.842 -9.718 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.393 3.150 -9.003 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.141 2.105 -11.149 1.00 0.00 C ATOM 0 H LEU A 15 8.140 0.261 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 15 5.496 0.577 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.433 1.752 -8.477 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.347 0.486 -9.686 1.00 0.00 H new ATOM 0 HG LEU A 15 4.778 1.250 -9.747 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.633 3.702 -9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.028 2.940 -7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.302 3.748 -8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.371 2.672 -11.673 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.070 2.676 -11.140 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.303 1.156 -11.660 1.00 0.00 H new ATOM 181 N VAL A 16 6.388 -2.091 -8.991 1.00 0.00 N ATOM 182 CA VAL A 16 5.879 -3.289 -9.648 1.00 0.00 C ATOM 183 C VAL A 16 5.190 -4.212 -8.650 1.00 0.00 C ATOM 184 O VAL A 16 4.040 -4.606 -8.845 1.00 0.00 O ATOM 185 CB VAL A 16 7.007 -4.064 -10.354 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.467 -5.340 -10.981 1.00 0.00 C ATOM 187 CG2 VAL A 16 7.680 -3.189 -11.401 1.00 0.00 C ATOM 0 H VAL A 16 7.402 -2.068 -8.883 1.00 0.00 H new ATOM 0 HA VAL A 16 5.155 -2.958 -10.392 1.00 0.00 H new ATOM 0 HB VAL A 16 7.754 -4.341 -9.610 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.278 -5.874 -11.475 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.036 -5.972 -10.205 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.699 -5.089 -11.713 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.475 -3.753 -11.890 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.945 -2.879 -12.144 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.104 -2.307 -10.920 1.00 0.00 H new ATOM 197 N TRP A 17 5.900 -4.554 -7.581 1.00 0.00 N ATOM 198 CA TRP A 17 5.356 -5.432 -6.551 1.00 0.00 C ATOM 199 C TRP A 17 3.859 -5.200 -6.373 1.00 0.00 C ATOM 200 O TRP A 17 3.084 -6.150 -6.262 1.00 0.00 O ATOM 201 CB TRP A 17 6.081 -5.205 -5.224 1.00 0.00 C ATOM 202 CG TRP A 17 5.740 -6.224 -4.178 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.251 -7.485 -4.065 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.810 -6.067 -3.101 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.695 -8.122 -2.982 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.809 -7.274 -2.373 1.00 0.00 C ATOM 207 CE3 TRP A 17 3.981 -5.025 -2.678 1.00 0.00 C ATOM 208 CZ2 TRP A 17 4.009 -7.464 -1.250 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.187 -5.216 -1.563 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.206 -6.427 -0.858 1.00 0.00 C ATOM 0 H TRP A 17 6.853 -4.237 -7.405 1.00 0.00 H new ATOM 0 HA TRP A 17 5.510 -6.463 -6.869 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.157 -5.220 -5.399 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.833 -4.212 -4.848 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.984 -7.918 -4.729 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.908 -9.073 -2.680 1.00 0.00 H new ATOM 0 HE3 TRP A 17 3.961 -4.087 -3.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.021 -8.397 -0.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.540 -4.418 -1.229 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.575 -6.544 0.011 1.00 0.00 H new ATOM 221 N CYS A 18 3.461 -3.933 -6.346 1.00 0.00 N ATOM 222 CA CYS A 18 2.056 -3.577 -6.180 1.00 0.00 C ATOM 223 C CYS A 18 1.268 -3.865 -7.454 1.00 0.00 C ATOM 224 O CYS A 18 0.374 -4.712 -7.466 1.00 0.00 O ATOM 225 CB CYS A 18 1.923 -2.100 -5.807 1.00 0.00 C ATOM 226 SG CYS A 18 0.221 -1.561 -5.519 1.00 0.00 S ATOM 0 H CYS A 18 4.091 -3.136 -6.437 1.00 0.00 H new ATOM 0 HA CYS A 18 1.645 -4.186 -5.375 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.510 -1.909 -4.909 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.354 -1.495 -6.604 1.00 0.00 H new ATOM 0 HG CYS A 18 0.207 -0.642 -4.599 1.00 0.00 H new ATOM 232 N LYS A 19 1.605 -3.155 -8.525 1.00 0.00 N ATOM 233 CA LYS A 19 0.930 -3.332 -9.805 1.00 0.00 C ATOM 234 C LYS A 19 0.677 -4.810 -10.086 1.00 0.00 C ATOM 235 O LYS A 19 -0.355 -5.176 -10.649 1.00 0.00 O ATOM 236 CB LYS A 19 1.764 -2.723 -10.934 1.00 0.00 C ATOM 237 CG LYS A 19 2.011 -1.233 -10.772 1.00 0.00 C ATOM 238 CD LYS A 19 3.193 -0.770 -11.606 1.00 0.00 C ATOM 239 CE LYS A 19 2.767 -0.399 -13.019 1.00 0.00 C ATOM 240 NZ LYS A 19 2.638 -1.598 -13.892 1.00 0.00 N ATOM 0 H LYS A 19 2.343 -2.451 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.031 -2.819 -9.755 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.723 -3.238 -10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.258 -2.898 -11.883 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.118 -0.681 -11.067 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.194 -1.006 -9.722 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.662 0.090 -11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.943 -1.560 -11.646 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.814 0.129 -12.984 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.496 0.287 -13.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.819 -1.329 -14.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.328 -2.318 -13.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.677 -1.986 -13.809 1.00 0.00 H new ATOM 254 N GLU A 20 1.624 -5.654 -9.690 1.00 0.00 N ATOM 255 CA GLU A 20 1.502 -7.092 -9.899 1.00 0.00 C ATOM 256 C GLU A 20 0.330 -7.660 -9.104 1.00 0.00 C ATOM 257 O GLU A 20 -0.653 -8.130 -9.676 1.00 0.00 O ATOM 258 CB GLU A 20 2.797 -7.800 -9.496 1.00 0.00 C ATOM 259 CG GLU A 20 3.069 -9.068 -10.287 1.00 0.00 C ATOM 260 CD GLU A 20 3.868 -8.808 -11.550 1.00 0.00 C ATOM 261 OE1 GLU A 20 5.045 -8.406 -11.434 1.00 0.00 O ATOM 262 OE2 GLU A 20 3.317 -9.006 -12.653 1.00 0.00 O ATOM 0 H GLU A 20 2.484 -5.367 -9.223 1.00 0.00 H new ATOM 0 HA GLU A 20 1.317 -7.265 -10.959 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.633 -7.113 -9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.751 -8.046 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.610 -9.775 -9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.121 -9.537 -10.551 1.00 0.00 H new ATOM 269 N VAL A 21 0.443 -7.614 -7.780 1.00 0.00 N ATOM 270 CA VAL A 21 -0.606 -8.123 -6.905 1.00 0.00 C ATOM 271 C VAL A 21 -1.951 -7.481 -7.229 1.00 0.00 C ATOM 272 O VAL A 21 -3.005 -8.005 -6.867 1.00 0.00 O ATOM 273 CB VAL A 21 -0.273 -7.870 -5.423 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.152 -8.303 -5.115 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.481 -6.404 -5.073 1.00 0.00 C ATOM 0 H VAL A 21 1.251 -7.229 -7.290 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.668 -9.198 -7.077 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.949 -8.466 -4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.370 -8.117 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.263 -9.367 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.847 -7.736 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.241 -6.243 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.169 -5.786 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.521 -6.131 -5.254 1.00 0.00 H new ATOM 285 N THR A 22 -1.908 -6.343 -7.915 1.00 0.00 N ATOM 286 CA THR A 22 -3.122 -5.628 -8.287 1.00 0.00 C ATOM 287 C THR A 22 -3.363 -5.700 -9.791 1.00 0.00 C ATOM 288 O THR A 22 -4.023 -4.835 -10.366 1.00 0.00 O ATOM 289 CB THR A 22 -3.059 -4.150 -7.858 1.00 0.00 C ATOM 290 OG1 THR A 22 -2.058 -3.463 -8.618 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.748 -4.030 -6.374 1.00 0.00 C ATOM 0 H THR A 22 -1.045 -5.897 -8.224 1.00 0.00 H new ATOM 0 HA THR A 22 -3.947 -6.114 -7.766 1.00 0.00 H new ATOM 0 HB THR A 22 -4.033 -3.697 -8.046 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.170 -3.702 -8.280 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.709 -2.977 -6.094 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.527 -4.530 -5.798 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.786 -4.497 -6.165 1.00 0.00 H new ATOM 387 N VAL A 28 -6.977 0.218 -10.058 1.00 0.00 N ATOM 388 CA VAL A 28 -5.708 0.254 -9.340 1.00 0.00 C ATOM 389 C VAL A 28 -4.569 0.685 -10.257 1.00 0.00 C ATOM 390 O VAL A 28 -3.883 -0.149 -10.848 1.00 0.00 O ATOM 391 CB VAL A 28 -5.370 -1.119 -8.730 1.00 0.00 C ATOM 392 CG1 VAL A 28 -4.032 -1.067 -8.007 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.476 -1.571 -7.790 1.00 0.00 C ATOM 0 HA VAL A 28 -5.819 0.983 -8.537 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.292 -1.847 -9.538 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.810 -2.046 -7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.248 -0.791 -8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.079 -0.327 -7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.220 -2.543 -7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.589 -0.845 -6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.413 -1.650 -8.342 1.00 0.00 H new ATOM 403 N LYS A 29 -4.373 1.994 -10.372 1.00 0.00 N ATOM 404 CA LYS A 29 -3.316 2.539 -11.216 1.00 0.00 C ATOM 405 C LYS A 29 -2.241 3.217 -10.373 1.00 0.00 C ATOM 406 O LYS A 29 -2.411 4.355 -9.933 1.00 0.00 O ATOM 407 CB LYS A 29 -3.899 3.538 -12.218 1.00 0.00 C ATOM 408 CG LYS A 29 -2.845 4.269 -13.032 1.00 0.00 C ATOM 409 CD LYS A 29 -2.150 3.336 -14.010 1.00 0.00 C ATOM 410 CE LYS A 29 -0.719 3.775 -14.278 1.00 0.00 C ATOM 411 NZ LYS A 29 0.232 3.199 -13.286 1.00 0.00 N ATOM 0 H LYS A 29 -4.933 2.698 -9.891 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.858 1.713 -11.760 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.569 3.010 -12.897 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.502 4.269 -11.680 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.310 5.089 -13.578 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.107 4.710 -12.362 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.152 2.322 -13.611 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.705 3.310 -14.947 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.427 3.468 -15.282 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.661 4.863 -14.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.032 3.850 -13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.256 3.059 -12.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.585 2.284 -13.634 1.00 0.00 H new ATOM 425 N ILE A 30 -1.136 2.513 -10.152 1.00 0.00 N ATOM 426 CA ILE A 30 -0.034 3.049 -9.364 1.00 0.00 C ATOM 427 C ILE A 30 0.890 3.906 -10.223 1.00 0.00 C ATOM 428 O ILE A 30 2.000 3.494 -10.562 1.00 0.00 O ATOM 429 CB ILE A 30 0.789 1.924 -8.709 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.086 1.115 -7.749 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.991 2.503 -7.977 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.770 -0.065 -8.404 1.00 0.00 C ATOM 0 H ILE A 30 -0.980 1.570 -10.508 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.476 3.667 -8.582 1.00 0.00 H new ATOM 0 HB ILE A 30 1.151 1.257 -9.491 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.530 0.756 -6.924 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.843 1.771 -7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.562 1.695 -7.520 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.624 3.040 -8.684 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.649 3.189 -7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.373 -0.592 -7.665 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.412 0.288 -9.211 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.018 -0.742 -8.809 1.00 0.00 H new ATOM 444 N THR A 31 0.426 5.102 -10.570 1.00 0.00 N ATOM 445 CA THR A 31 1.211 6.018 -11.388 1.00 0.00 C ATOM 446 C THR A 31 2.197 6.808 -10.537 1.00 0.00 C ATOM 447 O THR A 31 3.260 7.208 -11.011 1.00 0.00 O ATOM 448 CB THR A 31 0.307 7.003 -12.154 1.00 0.00 C ATOM 449 OG1 THR A 31 1.101 8.030 -12.757 1.00 0.00 O ATOM 450 CG2 THR A 31 -0.720 7.629 -11.223 1.00 0.00 C ATOM 0 H THR A 31 -0.490 5.459 -10.297 1.00 0.00 H new ATOM 0 HA THR A 31 1.761 5.409 -12.105 1.00 0.00 H new ATOM 0 HB THR A 31 -0.220 6.450 -12.931 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.519 8.651 -13.243 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.347 8.321 -11.785 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.342 6.846 -10.789 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.208 8.169 -10.427 1.00 0.00 H new ATOM 458 N ASN A 32 1.839 7.030 -9.276 1.00 0.00 N ATOM 459 CA ASN A 32 2.694 7.773 -8.358 1.00 0.00 C ATOM 460 C ASN A 32 2.729 7.107 -6.986 1.00 0.00 C ATOM 461 O ASN A 32 2.097 6.072 -6.771 1.00 0.00 O ATOM 462 CB ASN A 32 2.201 9.216 -8.224 1.00 0.00 C ATOM 463 CG ASN A 32 1.756 9.800 -9.551 1.00 0.00 C ATOM 464 OD1 ASN A 32 2.580 10.152 -10.395 1.00 0.00 O ATOM 465 ND2 ASN A 32 0.446 9.907 -9.740 1.00 0.00 N ATOM 0 H ASN A 32 0.963 6.706 -8.867 1.00 0.00 H new ATOM 0 HA ASN A 32 3.705 7.777 -8.766 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.371 9.249 -7.519 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.998 9.832 -7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.087 10.294 -10.613 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.201 9.602 -9.013 1.00 0.00 H new ATOM 472 N PHE A 33 3.470 7.707 -6.061 1.00 0.00 N ATOM 473 CA PHE A 33 3.588 7.171 -4.710 1.00 0.00 C ATOM 474 C PHE A 33 3.098 8.184 -3.679 1.00 0.00 C ATOM 475 O PHE A 33 3.501 8.149 -2.516 1.00 0.00 O ATOM 476 CB PHE A 33 5.039 6.788 -4.415 1.00 0.00 C ATOM 477 CG PHE A 33 5.382 5.382 -4.817 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.656 4.310 -4.324 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.429 5.132 -5.689 1.00 0.00 C ATOM 480 CE1 PHE A 33 4.969 3.015 -4.691 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.747 3.839 -6.061 1.00 0.00 C ATOM 482 CZ PHE A 33 6.015 2.779 -5.562 1.00 0.00 C ATOM 0 H PHE A 33 3.998 8.565 -6.222 1.00 0.00 H new ATOM 0 HA PHE A 33 2.964 6.280 -4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.702 7.478 -4.937 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.229 6.909 -3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.836 4.489 -3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.004 5.957 -6.083 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.396 2.188 -4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.566 3.658 -6.741 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.260 1.768 -5.852 1.00 0.00 H new ATOM 492 N THR A 34 2.225 9.087 -4.114 1.00 0.00 N ATOM 493 CA THR A 34 1.680 10.111 -3.231 1.00 0.00 C ATOM 494 C THR A 34 0.157 10.129 -3.284 1.00 0.00 C ATOM 495 O THR A 34 -0.513 9.888 -2.279 1.00 0.00 O ATOM 496 CB THR A 34 2.212 11.509 -3.598 1.00 0.00 C ATOM 497 OG1 THR A 34 2.106 11.719 -5.011 1.00 0.00 O ATOM 498 CG2 THR A 34 3.661 11.668 -3.164 1.00 0.00 C ATOM 0 H THR A 34 1.880 9.130 -5.073 1.00 0.00 H new ATOM 0 HA THR A 34 2.002 9.861 -2.220 1.00 0.00 H new ATOM 0 HB THR A 34 1.609 12.251 -3.075 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.445 12.611 -5.236 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.015 12.663 -3.434 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.734 11.537 -2.084 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.275 10.917 -3.662 1.00 0.00 H new ATOM 506 N THR A 35 -0.387 10.415 -4.463 1.00 0.00 N ATOM 507 CA THR A 35 -1.832 10.465 -4.647 1.00 0.00 C ATOM 508 C THR A 35 -2.408 9.069 -4.856 1.00 0.00 C ATOM 509 O THR A 35 -3.365 8.676 -4.189 1.00 0.00 O ATOM 510 CB THR A 35 -2.215 11.351 -5.847 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.647 10.820 -7.049 1.00 0.00 O ATOM 512 CG2 THR A 35 -1.734 12.780 -5.640 1.00 0.00 C ATOM 0 H THR A 35 0.152 10.616 -5.305 1.00 0.00 H new ATOM 0 HA THR A 35 -2.252 10.896 -3.738 1.00 0.00 H new ATOM 0 HB THR A 35 -3.302 11.359 -5.932 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.896 11.388 -7.807 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.016 13.387 -6.500 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.192 13.191 -4.740 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.649 12.787 -5.531 1.00 0.00 H new ATOM 520 N SER A 36 -1.818 8.324 -5.785 1.00 0.00 N ATOM 521 CA SER A 36 -2.276 6.972 -6.083 1.00 0.00 C ATOM 522 C SER A 36 -2.576 6.204 -4.800 1.00 0.00 C ATOM 523 O SER A 36 -3.423 5.311 -4.781 1.00 0.00 O ATOM 524 CB SER A 36 -1.223 6.224 -6.904 1.00 0.00 C ATOM 525 OG SER A 36 -1.448 4.825 -6.870 1.00 0.00 O ATOM 0 H SER A 36 -1.023 8.633 -6.344 1.00 0.00 H new ATOM 0 HA SER A 36 -3.195 7.046 -6.664 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.246 6.574 -7.936 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.229 6.445 -6.514 1.00 0.00 H new ATOM 0 HG SER A 36 -0.666 4.377 -6.485 1.00 0.00 H new ATOM 531 N TRP A 37 -1.874 6.557 -3.729 1.00 0.00 N ATOM 532 CA TRP A 37 -2.065 5.902 -2.440 1.00 0.00 C ATOM 533 C TRP A 37 -2.872 6.784 -1.494 1.00 0.00 C ATOM 534 O TRP A 37 -3.552 6.288 -0.596 1.00 0.00 O ATOM 535 CB TRP A 37 -0.712 5.564 -1.811 1.00 0.00 C ATOM 536 CG TRP A 37 0.194 4.797 -2.727 1.00 0.00 C ATOM 537 CD1 TRP A 37 0.973 5.308 -3.726 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.412 3.382 -2.728 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.662 4.295 -4.349 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.336 3.104 -3.754 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.081 2.323 -1.961 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.774 1.812 -4.032 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.354 1.041 -2.238 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.274 0.794 -3.265 1.00 0.00 C ATOM 0 H TRP A 37 -1.168 7.293 -3.728 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.621 4.980 -2.609 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.217 6.488 -1.512 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.876 4.983 -0.904 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.038 6.354 -3.988 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.311 4.411 -5.128 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.789 2.503 -1.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.483 1.620 -4.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.022 0.215 -1.652 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.595 -0.219 -3.456 1.00 0.00 H new ATOM 555 N ARG A 38 -2.794 8.094 -1.703 1.00 0.00 N ATOM 556 CA ARG A 38 -3.517 9.046 -0.867 1.00 0.00 C ATOM 557 C ARG A 38 -4.874 8.483 -0.453 1.00 0.00 C ATOM 558 O ARG A 38 -5.214 8.463 0.729 1.00 0.00 O ATOM 559 CB ARG A 38 -3.707 10.369 -1.612 1.00 0.00 C ATOM 560 CG ARG A 38 -4.834 11.224 -1.055 1.00 0.00 C ATOM 561 CD ARG A 38 -4.615 12.698 -1.356 1.00 0.00 C ATOM 562 NE ARG A 38 -5.610 13.544 -0.703 1.00 0.00 N ATOM 563 CZ ARG A 38 -6.862 13.668 -1.128 1.00 0.00 C ATOM 564 NH1 ARG A 38 -7.271 13.004 -2.200 1.00 0.00 N ATOM 565 NH2 ARG A 38 -7.709 14.458 -0.479 1.00 0.00 N ATOM 0 H ARG A 38 -2.238 8.521 -2.444 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.927 9.225 0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.777 10.936 -1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.906 10.159 -2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.783 10.901 -1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.904 11.078 0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.618 12.991 -1.027 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.655 12.858 -2.434 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.328 14.069 0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.623 12.396 -2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.233 13.101 -2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.398 14.970 0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.671 14.553 -0.806 1.00 0.00 H new ATOM 579 N ASN A 39 -5.645 8.028 -1.436 1.00 0.00 N ATOM 580 CA ASN A 39 -6.965 7.466 -1.173 1.00 0.00 C ATOM 581 C ASN A 39 -6.862 6.220 -0.299 1.00 0.00 C ATOM 582 O ASN A 39 -7.489 6.135 0.755 1.00 0.00 O ATOM 583 CB ASN A 39 -7.667 7.123 -2.489 1.00 0.00 C ATOM 584 CG ASN A 39 -6.699 6.639 -3.551 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.598 6.185 -3.243 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.108 6.734 -4.811 1.00 0.00 N ATOM 0 H ASN A 39 -5.379 8.038 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.551 8.214 -0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.418 6.354 -2.308 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.195 8.003 -2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.500 6.424 -5.569 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.030 7.117 -5.020 1.00 0.00 H new ATOM 593 N GLY A 40 -6.065 5.254 -0.746 1.00 0.00 N ATOM 594 CA GLY A 40 -5.893 4.025 0.007 1.00 0.00 C ATOM 595 C GLY A 40 -6.432 2.815 -0.729 1.00 0.00 C ATOM 596 O GLY A 40 -6.947 1.881 -0.111 1.00 0.00 O ATOM 0 H GLY A 40 -5.535 5.301 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.834 3.877 0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.399 4.117 0.968 1.00 0.00 H new ATOM 600 N LEU A 41 -6.317 2.829 -2.052 1.00 0.00 N ATOM 601 CA LEU A 41 -6.799 1.723 -2.874 1.00 0.00 C ATOM 602 C LEU A 41 -5.704 0.683 -3.083 1.00 0.00 C ATOM 603 O LEU A 41 -5.964 -0.520 -3.061 1.00 0.00 O ATOM 604 CB LEU A 41 -7.289 2.244 -4.226 1.00 0.00 C ATOM 605 CG LEU A 41 -8.590 3.047 -4.205 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.934 3.543 -5.601 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.726 2.207 -3.641 1.00 0.00 C ATOM 0 H LEU A 41 -5.895 3.593 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.630 1.248 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.507 2.869 -4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.422 1.393 -4.894 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.449 3.913 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.863 4.112 -5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.131 4.181 -5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.055 2.691 -6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.644 2.795 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.867 1.322 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.482 1.902 -2.623 1.00 0.00 H new ATOM 619 N SER A 42 -4.477 1.154 -3.283 1.00 0.00 N ATOM 620 CA SER A 42 -3.342 0.264 -3.497 1.00 0.00 C ATOM 621 C SER A 42 -2.982 -0.476 -2.213 1.00 0.00 C ATOM 622 O SER A 42 -2.432 -1.577 -2.251 1.00 0.00 O ATOM 623 CB SER A 42 -2.133 1.057 -3.999 1.00 0.00 C ATOM 624 OG SER A 42 -2.357 1.556 -5.306 1.00 0.00 O ATOM 0 H SER A 42 -4.244 2.147 -3.301 1.00 0.00 H new ATOM 0 HA SER A 42 -3.625 -0.470 -4.251 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.930 1.885 -3.320 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.249 0.419 -3.997 1.00 0.00 H new ATOM 0 HG SER A 42 -1.863 2.394 -5.425 1.00 0.00 H new ATOM 630 N PHE A 43 -3.296 0.137 -1.076 1.00 0.00 N ATOM 631 CA PHE A 43 -3.005 -0.462 0.221 1.00 0.00 C ATOM 632 C PHE A 43 -3.966 -1.609 0.518 1.00 0.00 C ATOM 633 O PHE A 43 -3.551 -2.686 0.949 1.00 0.00 O ATOM 634 CB PHE A 43 -3.095 0.593 1.325 1.00 0.00 C ATOM 635 CG PHE A 43 -1.906 1.510 1.377 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.633 1.004 1.585 1.00 0.00 C ATOM 637 CD2 PHE A 43 -2.062 2.877 1.217 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.462 1.845 1.634 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.970 3.723 1.264 1.00 0.00 C ATOM 640 CZ PHE A 43 0.294 3.207 1.472 1.00 0.00 C ATOM 0 H PHE A 43 -3.752 1.048 -1.027 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.991 -0.860 0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.996 1.188 1.175 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.200 0.092 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.495 -0.060 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.048 3.286 1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.449 1.438 1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.105 4.787 1.138 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.149 3.866 1.508 1.00 0.00 H new ATOM 650 N CYS A 44 -5.252 -1.370 0.285 1.00 0.00 N ATOM 651 CA CYS A 44 -6.274 -2.382 0.529 1.00 0.00 C ATOM 652 C CYS A 44 -6.257 -3.447 -0.563 1.00 0.00 C ATOM 653 O CYS A 44 -6.569 -4.611 -0.314 1.00 0.00 O ATOM 654 CB CYS A 44 -7.657 -1.733 0.603 1.00 0.00 C ATOM 655 SG CYS A 44 -7.951 -0.795 2.121 1.00 0.00 S ATOM 0 H CYS A 44 -5.612 -0.485 -0.072 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.054 -2.862 1.483 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.781 -1.068 -0.252 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.416 -2.510 0.516 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.361 0.361 2.038 1.00 0.00 H new ATOM 661 N ALA A 45 -5.891 -3.039 -1.774 1.00 0.00 N ATOM 662 CA ALA A 45 -5.832 -3.958 -2.904 1.00 0.00 C ATOM 663 C ALA A 45 -4.762 -5.023 -2.691 1.00 0.00 C ATOM 664 O ALA A 45 -4.993 -6.206 -2.941 1.00 0.00 O ATOM 665 CB ALA A 45 -5.569 -3.193 -4.193 1.00 0.00 C ATOM 0 H ALA A 45 -5.631 -2.078 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.796 -4.460 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.527 -3.892 -5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.372 -2.475 -4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.619 -2.664 -4.115 1.00 0.00 H new ATOM 671 N ILE A 46 -3.592 -4.596 -2.227 1.00 0.00 N ATOM 672 CA ILE A 46 -2.487 -5.514 -1.981 1.00 0.00 C ATOM 673 C ILE A 46 -2.886 -6.598 -0.986 1.00 0.00 C ATOM 674 O ILE A 46 -2.899 -7.785 -1.316 1.00 0.00 O ATOM 675 CB ILE A 46 -1.248 -4.772 -1.446 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.646 -3.886 -2.538 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.216 -5.766 -0.934 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.209 -2.760 -2.000 1.00 0.00 C ATOM 0 H ILE A 46 -3.385 -3.620 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.239 -5.975 -2.937 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.554 -4.135 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.043 -4.503 -3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.452 -3.464 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.654 -5.227 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.650 -6.359 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.088 -6.425 -1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.603 -2.173 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.395 -2.120 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.036 -3.175 -1.424 1.00 0.00 H new ATOM 690 N LEU A 47 -3.211 -6.184 0.234 1.00 0.00 N ATOM 691 CA LEU A 47 -3.613 -7.120 1.278 1.00 0.00 C ATOM 692 C LEU A 47 -4.735 -8.030 0.791 1.00 0.00 C ATOM 693 O LEU A 47 -4.940 -9.121 1.325 1.00 0.00 O ATOM 694 CB LEU A 47 -4.063 -6.359 2.527 1.00 0.00 C ATOM 695 CG LEU A 47 -4.325 -7.208 3.771 1.00 0.00 C ATOM 696 CD1 LEU A 47 -3.041 -7.866 4.250 1.00 0.00 C ATOM 697 CD2 LEU A 47 -4.935 -6.358 4.877 1.00 0.00 C ATOM 0 H LEU A 47 -3.204 -5.206 0.524 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.751 -7.739 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.302 -5.618 2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.974 -5.812 2.286 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.034 -7.993 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.248 -8.466 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.645 -8.507 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.308 -7.098 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.115 -6.978 5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.249 -5.552 5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.878 -5.935 4.532 1.00 0.00 H new ATOM 709 N HIS A 48 -5.459 -7.576 -0.226 1.00 0.00 N ATOM 710 CA HIS A 48 -6.560 -8.352 -0.788 1.00 0.00 C ATOM 711 C HIS A 48 -6.034 -9.498 -1.646 1.00 0.00 C ATOM 712 O HIS A 48 -6.504 -10.632 -1.541 1.00 0.00 O ATOM 713 CB HIS A 48 -7.472 -7.452 -1.621 1.00 0.00 C ATOM 714 CG HIS A 48 -8.768 -8.100 -2.001 1.00 0.00 C ATOM 715 ND1 HIS A 48 -8.894 -8.961 -3.070 1.00 0.00 N ATOM 716 CD2 HIS A 48 -9.999 -8.009 -1.445 1.00 0.00 C ATOM 717 CE1 HIS A 48 -10.147 -9.371 -3.157 1.00 0.00 C ATOM 718 NE2 HIS A 48 -10.838 -8.808 -2.182 1.00 0.00 N ATOM 0 H HIS A 48 -5.304 -6.675 -0.678 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.134 -8.774 0.037 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.681 -6.541 -1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.945 -7.154 -2.527 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.270 -7.418 -0.583 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.539 -10.051 -3.899 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.833 -8.945 -2.005 1.00 0.00 H new ATOM 727 N HIS A 49 -5.058 -9.195 -2.497 1.00 0.00 N ATOM 728 CA HIS A 49 -4.469 -10.201 -3.374 1.00 0.00 C ATOM 729 C HIS A 49 -4.187 -11.491 -2.609 1.00 0.00 C ATOM 730 O HIS A 49 -4.543 -12.581 -3.057 1.00 0.00 O ATOM 731 CB HIS A 49 -3.178 -9.671 -3.997 1.00 0.00 C ATOM 732 CG HIS A 49 -2.664 -10.516 -5.122 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.434 -10.869 -6.210 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.450 -11.079 -5.323 1.00 0.00 C ATOM 735 CE1 HIS A 49 -2.716 -11.613 -7.032 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.508 -11.755 -6.517 1.00 0.00 N ATOM 0 H HIS A 49 -4.659 -8.262 -2.598 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.184 -10.419 -4.168 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.350 -8.659 -4.363 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.412 -9.605 -3.224 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.595 -11.010 -4.667 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.058 -12.034 -7.966 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.742 -12.281 -6.938 1.00 0.00 H new ATOM 745 N PHE A 50 -3.545 -11.359 -1.453 1.00 0.00 N ATOM 746 CA PHE A 50 -3.213 -12.514 -0.627 1.00 0.00 C ATOM 747 C PHE A 50 -4.455 -13.055 0.076 1.00 0.00 C ATOM 748 O PHE A 50 -4.733 -14.253 0.033 1.00 0.00 O ATOM 749 CB PHE A 50 -2.150 -12.139 0.408 1.00 0.00 C ATOM 750 CG PHE A 50 -0.983 -11.394 -0.174 1.00 0.00 C ATOM 751 CD1 PHE A 50 0.004 -12.066 -0.876 1.00 0.00 C ATOM 752 CD2 PHE A 50 -0.873 -10.022 -0.019 1.00 0.00 C ATOM 753 CE1 PHE A 50 1.079 -11.384 -1.414 1.00 0.00 C ATOM 754 CE2 PHE A 50 0.199 -9.334 -0.554 1.00 0.00 C ATOM 755 CZ PHE A 50 1.177 -10.016 -1.252 1.00 0.00 C ATOM 0 H PHE A 50 -3.244 -10.464 -1.067 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.817 -13.293 -1.278 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.610 -11.528 1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.787 -13.047 0.890 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.067 -13.136 -1.005 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.634 -9.484 0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.841 -11.920 -1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.272 -8.264 -0.427 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.016 -9.480 -1.670 1.00 0.00 H new ATOM 765 N ARG A 51 -5.196 -12.162 0.724 1.00 0.00 N ATOM 766 CA ARG A 51 -6.407 -12.549 1.438 1.00 0.00 C ATOM 767 C ARG A 51 -7.549 -11.582 1.136 1.00 0.00 C ATOM 768 O ARG A 51 -7.640 -10.494 1.705 1.00 0.00 O ATOM 769 CB ARG A 51 -6.145 -12.591 2.944 1.00 0.00 C ATOM 770 CG ARG A 51 -7.123 -13.469 3.708 1.00 0.00 C ATOM 771 CD ARG A 51 -6.639 -14.909 3.780 1.00 0.00 C ATOM 772 NE ARG A 51 -5.369 -15.025 4.491 1.00 0.00 N ATOM 773 CZ ARG A 51 -4.895 -16.170 4.967 1.00 0.00 C ATOM 774 NH1 ARG A 51 -5.583 -17.293 4.810 1.00 0.00 N ATOM 775 NH2 ARG A 51 -3.730 -16.195 5.602 1.00 0.00 N ATOM 0 H ARG A 51 -4.979 -11.166 0.769 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.697 -13.544 1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.132 -12.954 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.193 -11.577 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.254 -13.077 4.717 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.099 -13.436 3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.391 -15.520 4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.527 -15.304 2.771 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.815 -14.180 4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.479 -17.278 4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.216 -18.171 5.177 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.198 -15.334 5.725 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.367 -17.075 5.967 1.00 0.00 H new ATOM 789 N PRO A 52 -8.440 -11.986 0.218 1.00 0.00 N ATOM 790 CA PRO A 52 -9.591 -11.170 -0.180 1.00 0.00 C ATOM 791 C PRO A 52 -10.634 -11.060 0.927 1.00 0.00 C ATOM 792 O PRO A 52 -11.692 -10.460 0.738 1.00 0.00 O ATOM 793 CB PRO A 52 -10.164 -11.928 -1.380 1.00 0.00 C ATOM 794 CG PRO A 52 -9.733 -13.339 -1.178 1.00 0.00 C ATOM 795 CD PRO A 52 -8.393 -13.270 -0.500 1.00 0.00 C ATOM 0 HA PRO A 52 -9.304 -10.142 -0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.250 -11.847 -1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.783 -11.528 -2.320 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.452 -13.883 -0.566 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.662 -13.865 -2.130 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.244 -14.107 0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.576 -13.298 -1.221 1.00 0.00 H new ATOM 803 N ASP A 53 -10.328 -11.640 2.082 1.00 0.00 N ATOM 804 CA ASP A 53 -11.238 -11.605 3.221 1.00 0.00 C ATOM 805 C ASP A 53 -10.757 -10.609 4.271 1.00 0.00 C ATOM 806 O ASP A 53 -11.561 -9.929 4.911 1.00 0.00 O ATOM 807 CB ASP A 53 -11.366 -12.997 3.841 1.00 0.00 C ATOM 808 CG ASP A 53 -12.165 -12.985 5.130 1.00 0.00 C ATOM 809 OD1 ASP A 53 -11.764 -12.267 6.070 1.00 0.00 O ATOM 810 OD2 ASP A 53 -13.192 -13.693 5.198 1.00 0.00 O ATOM 0 H ASP A 53 -9.456 -12.140 2.255 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.216 -11.284 2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.844 -13.667 3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.371 -13.397 4.037 1.00 0.00 H new ATOM 815 N LEU A 54 -9.443 -10.527 4.443 1.00 0.00 N ATOM 816 CA LEU A 54 -8.854 -9.614 5.416 1.00 0.00 C ATOM 817 C LEU A 54 -9.493 -8.232 5.323 1.00 0.00 C ATOM 818 O LEU A 54 -9.750 -7.586 6.339 1.00 0.00 O ATOM 819 CB LEU A 54 -7.344 -9.506 5.196 1.00 0.00 C ATOM 820 CG LEU A 54 -6.479 -10.495 5.977 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.059 -10.508 5.433 1.00 0.00 C ATOM 822 CD2 LEU A 54 -6.482 -10.151 7.459 1.00 0.00 C ATOM 0 H LEU A 54 -8.765 -11.082 3.921 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.042 -10.015 6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.142 -9.638 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.031 -8.495 5.457 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.901 -11.493 5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.458 -11.218 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.074 -10.804 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.626 -9.512 5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.861 -10.865 8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.085 -9.146 7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.502 -10.195 7.841 1.00 0.00 H new ATOM 834 N ILE A 55 -9.749 -7.786 4.098 1.00 0.00 N ATOM 835 CA ILE A 55 -10.361 -6.482 3.872 1.00 0.00 C ATOM 836 C ILE A 55 -11.666 -6.615 3.095 1.00 0.00 C ATOM 837 O ILE A 55 -12.125 -7.723 2.816 1.00 0.00 O ATOM 838 CB ILE A 55 -9.414 -5.540 3.106 1.00 0.00 C ATOM 839 CG1 ILE A 55 -7.958 -5.955 3.329 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.633 -4.099 3.543 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.444 -6.934 2.297 1.00 0.00 C ATOM 0 H ILE A 55 -9.542 -8.308 3.247 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.567 -6.056 4.854 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.634 -5.613 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.329 -5.065 3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.863 -6.400 4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.956 -3.445 2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.664 -3.809 3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.436 -4.009 4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.406 -7.184 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.049 -7.841 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.506 -6.484 1.306 1.00 0.00 H new ATOM 853 N ASP A 56 -12.258 -5.479 2.745 1.00 0.00 N ATOM 854 CA ASP A 56 -13.510 -5.467 1.997 1.00 0.00 C ATOM 855 C ASP A 56 -13.325 -4.797 0.639 1.00 0.00 C ATOM 856 O ASP A 56 -14.264 -4.225 0.085 1.00 0.00 O ATOM 857 CB ASP A 56 -14.598 -4.745 2.792 1.00 0.00 C ATOM 858 CG ASP A 56 -15.041 -5.529 4.012 1.00 0.00 C ATOM 859 OD1 ASP A 56 -15.533 -6.664 3.842 1.00 0.00 O ATOM 860 OD2 ASP A 56 -14.894 -5.007 5.137 1.00 0.00 O ATOM 0 H ASP A 56 -11.891 -4.554 2.967 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.817 -6.500 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.227 -3.769 3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.458 -4.567 2.146 1.00 0.00 H new ATOM 865 N TYR A 57 -12.108 -4.869 0.110 1.00 0.00 N ATOM 866 CA TYR A 57 -11.799 -4.266 -1.181 1.00 0.00 C ATOM 867 C TYR A 57 -12.800 -4.709 -2.243 1.00 0.00 C ATOM 868 O TYR A 57 -12.937 -4.073 -3.289 1.00 0.00 O ATOM 869 CB TYR A 57 -10.380 -4.639 -1.614 1.00 0.00 C ATOM 870 CG TYR A 57 -9.908 -3.895 -2.843 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.276 -4.312 -4.116 1.00 0.00 C ATOM 872 CD2 TYR A 57 -9.093 -2.775 -2.730 1.00 0.00 C ATOM 873 CE1 TYR A 57 -9.846 -3.636 -5.241 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.659 -2.092 -3.850 1.00 0.00 C ATOM 875 CZ TYR A 57 -9.038 -2.527 -5.103 1.00 0.00 C ATOM 876 OH TYR A 57 -8.608 -1.849 -6.222 1.00 0.00 O ATOM 0 H TYR A 57 -11.320 -5.339 0.555 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.867 -3.183 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.693 -4.438 -0.792 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.338 -5.711 -1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -10.909 -5.180 -4.228 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.794 -2.433 -1.750 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.141 -3.974 -6.223 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.027 -1.223 -3.745 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.785 -0.891 -6.113 1.00 0.00 H new ATOM 886 N LYS A 58 -13.501 -5.804 -1.966 1.00 0.00 N ATOM 887 CA LYS A 58 -14.492 -6.333 -2.895 1.00 0.00 C ATOM 888 C LYS A 58 -15.632 -5.340 -3.099 1.00 0.00 C ATOM 889 O LYS A 58 -16.230 -5.279 -4.173 1.00 0.00 O ATOM 890 CB LYS A 58 -15.047 -7.662 -2.378 1.00 0.00 C ATOM 891 CG LYS A 58 -15.760 -7.545 -1.042 1.00 0.00 C ATOM 892 CD LYS A 58 -16.444 -8.847 -0.659 1.00 0.00 C ATOM 893 CE LYS A 58 -16.996 -8.791 0.757 1.00 0.00 C ATOM 894 NZ LYS A 58 -17.349 -10.144 1.269 1.00 0.00 N ATOM 0 H LYS A 58 -13.401 -6.342 -1.105 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.002 -6.499 -3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.739 -8.068 -3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.228 -8.375 -2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.043 -7.268 -0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.499 -6.746 -1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.254 -9.053 -1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.734 -9.670 -0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.258 -8.334 1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.880 -8.153 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.721 -10.063 2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.072 -10.570 0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.501 -10.746 1.274 1.00 0.00 H new ATOM 908 N SER A 59 -15.926 -4.562 -2.062 1.00 0.00 N ATOM 909 CA SER A 59 -16.995 -3.573 -2.127 1.00 0.00 C ATOM 910 C SER A 59 -16.494 -2.201 -1.684 1.00 0.00 C ATOM 911 O SER A 59 -17.245 -1.407 -1.116 1.00 0.00 O ATOM 912 CB SER A 59 -18.173 -4.005 -1.252 1.00 0.00 C ATOM 913 OG SER A 59 -19.062 -4.843 -1.971 1.00 0.00 O ATOM 0 H SER A 59 -15.439 -4.598 -1.167 1.00 0.00 H new ATOM 0 HA SER A 59 -17.328 -3.502 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.803 -4.532 -0.372 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.707 -3.124 -0.895 1.00 0.00 H new ATOM 0 HG SER A 59 -19.805 -5.107 -1.389 1.00 0.00 H new ATOM 919 N LEU A 60 -15.220 -1.931 -1.946 1.00 0.00 N ATOM 920 CA LEU A 60 -14.617 -0.656 -1.575 1.00 0.00 C ATOM 921 C LEU A 60 -14.741 0.356 -2.710 1.00 0.00 C ATOM 922 O LEU A 60 -15.357 0.079 -3.738 1.00 0.00 O ATOM 923 CB LEU A 60 -13.144 -0.853 -1.211 1.00 0.00 C ATOM 924 CG LEU A 60 -12.864 -1.328 0.215 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.396 -1.135 0.563 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.750 -0.589 1.208 1.00 0.00 C ATOM 0 H LEU A 60 -14.585 -2.578 -2.414 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.151 -0.268 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.712 -1.575 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.622 0.091 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.094 -2.392 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.215 -1.479 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.780 -1.710 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.140 -0.078 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.537 -0.940 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.551 0.481 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.797 -0.778 0.972 1.00 0.00 H new ATOM 938 N ASN A 61 -14.149 1.531 -2.516 1.00 0.00 N ATOM 939 CA ASN A 61 -14.192 2.584 -3.524 1.00 0.00 C ATOM 940 C ASN A 61 -13.273 3.740 -3.141 1.00 0.00 C ATOM 941 O ASN A 61 -12.901 3.913 -1.980 1.00 0.00 O ATOM 942 CB ASN A 61 -15.624 3.092 -3.699 1.00 0.00 C ATOM 943 CG ASN A 61 -16.421 2.249 -4.676 1.00 0.00 C ATOM 944 OD1 ASN A 61 -17.546 1.842 -4.386 1.00 0.00 O ATOM 945 ND2 ASN A 61 -15.840 1.983 -5.840 1.00 0.00 N ATOM 0 H ASN A 61 -13.634 1.777 -1.670 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.845 2.164 -4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.126 3.095 -2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.600 4.124 -4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.328 1.420 -6.537 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.906 2.341 -6.037 1.00 0.00 H new ATOM 952 N PRO A 62 -12.898 4.553 -4.140 1.00 0.00 N ATOM 953 CA PRO A 62 -12.019 5.708 -3.934 1.00 0.00 C ATOM 954 C PRO A 62 -12.703 6.824 -3.151 1.00 0.00 C ATOM 955 O PRO A 62 -12.124 7.888 -2.937 1.00 0.00 O ATOM 956 CB PRO A 62 -11.700 6.170 -5.357 1.00 0.00 C ATOM 957 CG PRO A 62 -12.851 5.697 -6.176 1.00 0.00 C ATOM 958 CD PRO A 62 -13.303 4.407 -5.549 1.00 0.00 C ATOM 0 HA PRO A 62 -11.137 5.450 -3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.597 7.254 -5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.761 5.744 -5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.656 6.432 -6.179 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.555 5.544 -7.214 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.380 4.269 -5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.828 3.545 -6.017 1.00 0.00 H new ATOM 966 N GLN A 63 -13.937 6.573 -2.727 1.00 0.00 N ATOM 967 CA GLN A 63 -14.699 7.558 -1.969 1.00 0.00 C ATOM 968 C GLN A 63 -14.271 7.568 -0.505 1.00 0.00 C ATOM 969 O GLN A 63 -14.652 8.455 0.258 1.00 0.00 O ATOM 970 CB GLN A 63 -16.197 7.265 -2.072 1.00 0.00 C ATOM 971 CG GLN A 63 -16.562 5.831 -1.723 1.00 0.00 C ATOM 972 CD GLN A 63 -16.054 5.415 -0.356 1.00 0.00 C ATOM 973 OE1 GLN A 63 -16.181 6.158 0.618 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.475 4.223 -0.277 1.00 0.00 N ATOM 0 H GLN A 63 -14.430 5.696 -2.895 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.498 8.541 -2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.737 7.940 -1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.532 7.480 -3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.646 5.718 -1.753 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.151 5.161 -2.478 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.391 3.640 -1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.114 3.890 0.617 1.00 0.00 H new ATOM 983 N ASP A 64 -13.476 6.575 -0.120 1.00 0.00 N ATOM 984 CA ASP A 64 -12.995 6.470 1.253 1.00 0.00 C ATOM 985 C ASP A 64 -11.485 6.677 1.317 1.00 0.00 C ATOM 986 O ASP A 64 -10.714 5.857 0.817 1.00 0.00 O ATOM 987 CB ASP A 64 -13.360 5.106 1.841 1.00 0.00 C ATOM 988 CG ASP A 64 -14.735 5.101 2.479 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.147 6.153 3.012 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.400 4.045 2.445 1.00 0.00 O ATOM 0 H ASP A 64 -13.151 5.832 -0.739 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.476 7.251 1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.325 4.353 1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.616 4.824 2.586 1.00 0.00 H new ATOM 995 N ILE A 65 -11.069 7.779 1.933 1.00 0.00 N ATOM 996 CA ILE A 65 -9.652 8.093 2.062 1.00 0.00 C ATOM 997 C ILE A 65 -9.133 7.736 3.451 1.00 0.00 C ATOM 998 O ILE A 65 -8.072 7.128 3.592 1.00 0.00 O ATOM 999 CB ILE A 65 -9.379 9.585 1.793 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.817 9.958 0.375 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.905 9.900 1.998 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.469 11.379 -0.011 1.00 0.00 C ATOM 0 H ILE A 65 -11.694 8.469 2.350 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.128 7.495 1.316 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.958 10.178 2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.350 9.273 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.895 9.820 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.729 10.958 1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.623 9.667 3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.306 9.301 1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.809 11.573 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -9.958 12.072 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.389 11.517 0.043 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.890 8.116 4.475 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.510 7.833 5.854 1.00 0.00 C ATOM 1016 C LYS A 66 -9.755 6.367 6.196 1.00 0.00 C ATOM 1017 O LYS A 66 -8.930 5.726 6.846 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.293 8.731 6.814 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.580 8.981 8.131 1.00 0.00 C ATOM 1020 CD LYS A 66 -9.986 10.312 8.742 1.00 0.00 C ATOM 1021 CE LYS A 66 -11.255 10.180 9.570 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.794 11.508 9.974 1.00 0.00 N ATOM 0 H LYS A 66 -10.771 8.621 4.376 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.445 8.039 5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.486 9.687 6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.262 8.275 7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.809 8.175 8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.502 8.967 7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.178 10.687 9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.141 11.045 7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.009 9.641 8.996 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.048 9.586 10.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.659 11.375 10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.084 12.012 10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.016 12.066 9.125 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.894 5.843 5.753 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.247 4.453 6.014 1.00 0.00 C ATOM 1038 C GLU A 67 -10.316 3.506 5.261 1.00 0.00 C ATOM 1039 O GLU A 67 -9.528 2.782 5.867 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.698 4.187 5.610 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.181 2.789 5.958 1.00 0.00 C ATOM 1042 CD GLU A 67 -14.677 2.731 6.198 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -15.440 3.084 5.275 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -15.084 2.331 7.309 1.00 0.00 O ATOM 0 H GLU A 67 -11.587 6.360 5.212 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.137 4.271 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.342 4.917 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.801 4.341 4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.920 2.107 5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.660 2.440 6.850 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.416 3.517 3.936 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.585 2.659 3.099 1.00 0.00 C ATOM 1053 C ASN A 68 -8.200 2.476 3.714 1.00 0.00 C ATOM 1054 O ASN A 68 -7.768 1.353 3.972 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.456 3.251 1.694 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.641 2.907 0.812 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.622 2.322 1.271 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.555 3.271 -0.462 1.00 0.00 N ATOM 0 H ASN A 68 -11.064 4.111 3.419 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.066 1.683 3.032 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.362 4.335 1.766 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.541 2.882 1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.322 3.067 -1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.722 3.754 -0.799 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.511 3.588 3.947 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.175 3.550 4.532 1.00 0.00 C ATOM 1067 C ASN A 69 -6.186 2.808 5.865 1.00 0.00 C ATOM 1068 O ASN A 69 -5.447 1.842 6.056 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.643 4.971 4.731 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.988 5.524 3.480 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.763 5.532 3.359 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.805 5.990 2.542 1.00 0.00 N ATOM 0 H ASN A 69 -7.855 4.526 3.740 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.519 3.016 3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.463 5.625 5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.921 4.975 5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.423 6.375 1.678 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.814 5.963 2.686 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.029 3.265 6.784 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.139 2.645 8.099 1.00 0.00 C ATOM 1081 C LYS A 70 -7.286 1.131 7.976 1.00 0.00 C ATOM 1082 O LYS A 70 -6.658 0.374 8.716 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.333 3.223 8.861 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.592 2.543 10.194 1.00 0.00 C ATOM 1085 CD LYS A 70 -7.583 2.975 11.245 1.00 0.00 C ATOM 1086 CE LYS A 70 -7.665 2.102 12.488 1.00 0.00 C ATOM 1087 NZ LYS A 70 -7.124 2.796 13.690 1.00 0.00 N ATOM 0 H LYS A 70 -7.647 4.064 6.642 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.225 2.861 8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.164 4.286 9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.225 3.138 8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.599 2.781 10.536 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.546 1.461 10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.577 2.923 10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.762 4.015 11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.703 1.822 12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.110 1.179 12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.198 2.168 14.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.126 3.041 13.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.670 3.664 13.865 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.118 0.697 7.035 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.346 -0.726 6.812 1.00 0.00 C ATOM 1103 C LYS A 71 -7.023 -1.479 6.709 1.00 0.00 C ATOM 1104 O LYS A 71 -6.761 -2.400 7.481 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.167 -0.938 5.538 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.434 -0.102 5.485 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.523 -0.791 4.680 1.00 0.00 C ATOM 1108 CE LYS A 71 -12.388 -1.680 5.560 1.00 0.00 C ATOM 1109 NZ LYS A 71 -12.981 -2.811 4.794 1.00 0.00 N ATOM 0 H LYS A 71 -8.646 1.311 6.414 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.901 -1.118 7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.548 -0.700 4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.433 -1.992 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.791 0.084 6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.212 0.869 5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.147 -0.041 4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.070 -1.390 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.788 -2.073 6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.186 -1.085 6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.006 -2.846 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.803 -2.674 3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.548 -3.705 5.104 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.194 -1.080 5.750 1.00 0.00 N ATOM 1124 CA ALA A 72 -4.897 -1.715 5.548 1.00 0.00 C ATOM 1125 C ALA A 72 -4.087 -1.732 6.840 1.00 0.00 C ATOM 1126 O ALA A 72 -3.827 -2.793 7.408 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.125 -1.001 4.448 1.00 0.00 C ATOM 0 H ALA A 72 -6.397 -0.320 5.101 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.069 -2.748 5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.159 -1.486 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.692 -1.046 3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.971 0.041 4.729 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.691 -0.550 7.299 1.00 0.00 N ATOM 1134 CA TYR A 73 -2.907 -0.429 8.523 1.00 0.00 C ATOM 1135 C TYR A 73 -3.351 -1.459 9.558 1.00 0.00 C ATOM 1136 O TYR A 73 -2.530 -2.023 10.281 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.039 0.981 9.101 1.00 0.00 C ATOM 1138 CG TYR A 73 -2.830 2.076 8.080 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.980 1.889 6.996 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.481 3.297 8.198 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.785 2.887 6.061 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.294 4.300 7.266 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.445 4.090 6.200 1.00 0.00 C ATOM 1144 OH TYR A 73 -2.254 5.087 5.271 1.00 0.00 O ATOM 0 H TYR A 73 -3.900 0.338 6.842 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.862 -0.616 8.275 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.029 1.092 9.543 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.315 1.104 9.906 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.463 0.947 6.883 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.145 3.466 9.033 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.119 2.726 5.226 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.810 5.243 7.372 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.914 4.995 4.552 1.00 0.00 H new ATOM 1154 N ASP A 74 -4.656 -1.698 9.622 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.211 -2.661 10.567 1.00 0.00 C ATOM 1156 C ASP A 74 -4.870 -4.088 10.151 1.00 0.00 C ATOM 1157 O ASP A 74 -4.483 -4.911 10.980 1.00 0.00 O ATOM 1158 CB ASP A 74 -6.729 -2.493 10.665 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.134 -1.507 11.743 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -6.460 -1.467 12.795 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -8.123 -0.775 11.535 1.00 0.00 O ATOM 0 H ASP A 74 -5.349 -1.239 9.031 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.768 -2.472 11.545 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.117 -2.156 9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.186 -3.461 10.872 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.018 -4.376 8.862 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.723 -5.705 8.359 1.00 0.00 C ATOM 1168 C GLY A 75 -3.244 -6.031 8.417 1.00 0.00 C ATOM 1169 O GLY A 75 -2.857 -7.122 8.837 1.00 0.00 O ATOM 0 H GLY A 75 -5.337 -3.712 8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.277 -6.442 8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.070 -5.786 7.329 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.414 -5.084 7.992 1.00 0.00 N ATOM 1174 CA PHE A 76 -0.968 -5.277 7.995 1.00 0.00 C ATOM 1175 C PHE A 76 -0.417 -5.238 9.417 1.00 0.00 C ATOM 1176 O PHE A 76 0.405 -6.070 9.799 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.287 -4.205 7.142 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.623 -4.298 5.681 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.300 -5.431 4.953 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.263 -3.251 5.036 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.608 -5.520 3.609 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.574 -3.335 3.692 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.245 -4.470 2.977 1.00 0.00 C ATOM 0 H PHE A 76 -2.718 -4.176 7.641 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.757 -6.258 7.569 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.576 -3.221 7.511 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.793 -4.287 7.264 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.199 -6.255 5.442 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.521 -2.360 5.590 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.351 -6.410 3.053 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.074 -2.513 3.201 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.485 -4.536 1.926 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.876 -4.265 10.197 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.431 -4.117 11.577 1.00 0.00 C ATOM 1195 C ALA A 77 -0.993 -5.228 12.457 1.00 0.00 C ATOM 1196 O ALA A 77 -0.577 -5.395 13.603 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.838 -2.755 12.119 1.00 0.00 C ATOM 0 H ALA A 77 -1.556 -3.567 9.896 1.00 0.00 H new ATOM 0 HA ALA A 77 0.656 -4.192 11.592 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.499 -2.658 13.151 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.384 -1.971 11.513 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.923 -2.658 12.083 1.00 0.00 H new ATOM 1203 N SER A 78 -1.940 -5.986 11.913 1.00 0.00 N ATOM 1204 CA SER A 78 -2.562 -7.079 12.651 1.00 0.00 C ATOM 1205 C SER A 78 -1.599 -8.253 12.798 1.00 0.00 C ATOM 1206 O SER A 78 -1.642 -8.985 13.787 1.00 0.00 O ATOM 1207 CB SER A 78 -3.839 -7.538 11.944 1.00 0.00 C ATOM 1208 OG SER A 78 -4.284 -8.783 12.454 1.00 0.00 O ATOM 0 H SER A 78 -2.293 -5.863 10.964 1.00 0.00 H new ATOM 0 HA SER A 78 -2.817 -6.714 13.646 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.620 -6.788 12.073 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.655 -7.625 10.873 1.00 0.00 H new ATOM 0 HG SER A 78 -5.102 -9.054 11.987 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.731 -8.425 11.806 1.00 0.00 N ATOM 1215 CA ILE A 79 0.244 -9.508 11.825 1.00 0.00 C ATOM 1216 C ILE A 79 1.539 -9.072 12.501 1.00 0.00 C ATOM 1217 O ILE A 79 2.157 -9.840 13.237 1.00 0.00 O ATOM 1218 CB ILE A 79 0.563 -10.003 10.401 1.00 0.00 C ATOM 1219 CG1 ILE A 79 0.792 -8.815 9.465 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.563 -10.884 9.882 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.354 -9.208 8.117 1.00 0.00 C ATOM 0 H ILE A 79 -0.683 -7.829 10.980 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.202 -10.324 12.394 1.00 0.00 H new ATOM 0 HB ILE A 79 1.476 -10.597 10.434 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.153 -8.292 9.317 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.474 -8.112 9.943 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.323 -11.226 8.875 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.683 -11.746 10.539 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.491 -10.313 9.860 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.491 -8.316 7.506 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.315 -9.705 8.254 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.662 -9.887 7.618 1.00 0.00 H new ATOM 1233 N GLY A 80 1.943 -7.830 12.249 1.00 0.00 N ATOM 1234 CA GLY A 80 3.161 -7.311 12.842 1.00 0.00 C ATOM 1235 C GLY A 80 3.691 -6.094 12.110 1.00 0.00 C ATOM 1236 O GLY A 80 4.503 -5.342 12.648 1.00 0.00 O ATOM 0 H GLY A 80 1.448 -7.174 11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.972 -7.051 13.883 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.922 -8.091 12.842 1.00 0.00 H new ATOM 1240 N ILE A 81 3.231 -5.901 10.878 1.00 0.00 N ATOM 1241 CA ILE A 81 3.665 -4.768 10.071 1.00 0.00 C ATOM 1242 C ILE A 81 3.298 -3.446 10.737 1.00 0.00 C ATOM 1243 O ILE A 81 2.211 -2.912 10.522 1.00 0.00 O ATOM 1244 CB ILE A 81 3.043 -4.809 8.662 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.488 -6.072 7.921 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.428 -3.565 7.876 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.917 -6.187 6.526 1.00 0.00 C ATOM 0 H ILE A 81 2.558 -6.514 10.418 1.00 0.00 H new ATOM 0 HA ILE A 81 4.749 -4.840 9.984 1.00 0.00 H new ATOM 0 HB ILE A 81 1.958 -4.831 8.761 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.576 -6.084 7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.191 -6.947 8.500 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.981 -3.609 6.883 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.067 -2.679 8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.513 -3.514 7.783 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.275 -7.106 6.061 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.828 -6.207 6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.235 -5.331 5.931 1.00 0.00 H new ATOM 1259 N SER A 82 4.215 -2.923 11.545 1.00 0.00 N ATOM 1260 CA SER A 82 3.987 -1.664 12.245 1.00 0.00 C ATOM 1261 C SER A 82 3.561 -0.571 11.271 1.00 0.00 C ATOM 1262 O SER A 82 4.256 -0.286 10.296 1.00 0.00 O ATOM 1263 CB SER A 82 5.253 -1.235 12.990 1.00 0.00 C ATOM 1264 OG SER A 82 6.280 -0.874 12.083 1.00 0.00 O ATOM 0 H SER A 82 5.122 -3.351 11.731 1.00 0.00 H new ATOM 0 HA SER A 82 3.184 -1.817 12.966 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.027 -0.392 13.643 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.597 -2.049 13.628 1.00 0.00 H new ATOM 0 HG SER A 82 5.882 -0.491 11.274 1.00 0.00 H new ATOM 1270 N ARG A 83 2.412 0.040 11.543 1.00 0.00 N ATOM 1271 CA ARG A 83 1.890 1.101 10.691 1.00 0.00 C ATOM 1272 C ARG A 83 2.680 2.392 10.886 1.00 0.00 C ATOM 1273 O ARG A 83 3.012 2.766 12.012 1.00 0.00 O ATOM 1274 CB ARG A 83 0.410 1.346 10.992 1.00 0.00 C ATOM 1275 CG ARG A 83 0.130 1.661 12.452 1.00 0.00 C ATOM 1276 CD ARG A 83 0.105 3.160 12.703 1.00 0.00 C ATOM 1277 NE ARG A 83 -0.627 3.499 13.921 1.00 0.00 N ATOM 1278 CZ ARG A 83 -1.194 4.682 14.132 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -1.114 5.633 13.212 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -1.843 4.915 15.266 1.00 0.00 N ATOM 0 H ARG A 83 1.825 -0.182 12.347 1.00 0.00 H new ATOM 0 HA ARG A 83 1.994 0.784 9.653 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.055 2.172 10.376 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.162 0.464 10.703 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.827 1.226 12.742 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.893 1.199 13.078 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.127 3.532 12.779 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.355 3.662 11.852 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.707 2.789 14.649 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.616 5.458 12.339 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.550 6.540 13.377 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.907 4.186 15.976 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.278 5.823 15.427 1.00 0.00 H new ATOM 1294 N LEU A 84 2.978 3.070 9.783 1.00 0.00 N ATOM 1295 CA LEU A 84 3.729 4.319 9.832 1.00 0.00 C ATOM 1296 C LEU A 84 2.859 5.495 9.400 1.00 0.00 C ATOM 1297 O LEU A 84 2.748 6.494 10.112 1.00 0.00 O ATOM 1298 CB LEU A 84 4.966 4.229 8.936 1.00 0.00 C ATOM 1299 CG LEU A 84 6.205 3.591 9.565 1.00 0.00 C ATOM 1300 CD1 LEU A 84 6.200 2.086 9.347 1.00 0.00 C ATOM 1301 CD2 LEU A 84 7.472 4.210 8.993 1.00 0.00 C ATOM 0 H LEU A 84 2.711 2.775 8.844 1.00 0.00 H new ATOM 0 HA LEU A 84 4.045 4.484 10.862 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.703 3.661 8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.227 5.235 8.608 1.00 0.00 H new ATOM 0 HG LEU A 84 6.183 3.782 10.638 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.089 1.650 9.802 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.310 1.655 9.805 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.197 1.873 8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.344 3.744 9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.500 4.050 7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.480 5.280 9.202 1.00 0.00 H new ATOM 1313 N LEU A 85 2.243 5.369 8.230 1.00 0.00 N ATOM 1314 CA LEU A 85 1.379 6.421 7.703 1.00 0.00 C ATOM 1315 C LEU A 85 0.019 6.406 8.394 1.00 0.00 C ATOM 1316 O LEU A 85 -0.479 5.350 8.781 1.00 0.00 O ATOM 1317 CB LEU A 85 1.200 6.252 6.193 1.00 0.00 C ATOM 1318 CG LEU A 85 0.764 7.500 5.426 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.832 8.580 5.511 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.466 7.156 3.973 1.00 0.00 C ATOM 0 H LEU A 85 2.325 4.550 7.628 1.00 0.00 H new ATOM 0 HA LEU A 85 1.855 7.382 7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.143 5.902 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.463 5.468 6.020 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.148 7.883 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.504 9.461 4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.997 8.847 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.761 8.207 5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.157 8.056 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.362 6.748 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.334 6.417 3.931 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.576 7.585 8.542 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.880 7.706 9.185 1.00 0.00 C ATOM 1334 C GLU A 86 -2.984 7.881 8.146 1.00 0.00 C ATOM 1335 O GLU A 86 -2.810 8.545 7.124 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.886 8.888 10.156 1.00 0.00 C ATOM 1337 CG GLU A 86 -1.081 8.642 11.421 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.122 9.818 12.377 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -2.234 10.286 12.696 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -0.039 10.269 12.807 1.00 0.00 O ATOM 0 H GLU A 86 -0.177 8.469 8.226 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.070 6.788 9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.488 9.767 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.916 9.117 10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.466 7.755 11.925 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.045 8.432 11.153 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.148 7.271 8.413 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.304 7.344 7.514 1.00 0.00 C ATOM 1349 C PRO A 87 -5.928 8.735 7.484 1.00 0.00 C ATOM 1350 O PRO A 87 -6.340 9.218 6.429 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.284 6.332 8.114 1.00 0.00 C ATOM 1352 CG PRO A 87 -5.914 6.255 9.555 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.426 6.463 9.613 1.00 0.00 C ATOM 0 HA PRO A 87 -5.030 7.133 6.480 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.316 6.658 7.987 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.195 5.360 7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.437 7.017 10.133 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.190 5.289 9.977 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.128 6.981 10.524 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.887 5.516 9.594 1.00 0.00 H new ATOM 1361 N SER A 88 -5.993 9.375 8.647 1.00 0.00 N ATOM 1362 CA SER A 88 -6.570 10.710 8.753 1.00 0.00 C ATOM 1363 C SER A 88 -5.672 11.745 8.081 1.00 0.00 C ATOM 1364 O SER A 88 -6.105 12.468 7.184 1.00 0.00 O ATOM 1365 CB SER A 88 -6.783 11.081 10.222 1.00 0.00 C ATOM 1366 OG SER A 88 -7.045 12.466 10.366 1.00 0.00 O ATOM 0 H SER A 88 -5.653 8.991 9.529 1.00 0.00 H new ATOM 0 HA SER A 88 -7.533 10.704 8.243 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.615 10.506 10.628 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.898 10.813 10.800 1.00 0.00 H new ATOM 0 HG SER A 88 -7.179 12.677 11.314 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.421 11.808 8.522 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.460 12.753 7.963 1.00 0.00 C ATOM 1374 C ASP A 89 -3.642 12.884 6.454 1.00 0.00 C ATOM 1375 O ASP A 89 -3.605 13.986 5.908 1.00 0.00 O ATOM 1376 CB ASP A 89 -2.032 12.308 8.281 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.456 11.401 7.211 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -1.327 11.854 6.054 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -1.135 10.238 7.531 1.00 0.00 O ATOM 0 H ASP A 89 -4.048 11.217 9.265 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.638 13.727 8.418 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.396 13.187 8.389 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.022 11.787 9.239 1.00 0.00 H new ATOM 1384 N MET A 90 -3.837 11.751 5.786 1.00 0.00 N ATOM 1385 CA MET A 90 -4.024 11.740 4.340 1.00 0.00 C ATOM 1386 C MET A 90 -5.154 12.680 3.931 1.00 0.00 C ATOM 1387 O MET A 90 -5.023 13.444 2.974 1.00 0.00 O ATOM 1388 CB MET A 90 -4.324 10.321 3.854 1.00 0.00 C ATOM 1389 CG MET A 90 -3.185 9.343 4.092 1.00 0.00 C ATOM 1390 SD MET A 90 -1.947 9.387 2.782 1.00 0.00 S ATOM 1391 CE MET A 90 -2.239 7.809 1.986 1.00 0.00 C ATOM 0 H MET A 90 -3.870 10.830 6.223 1.00 0.00 H new ATOM 0 HA MET A 90 -3.101 12.087 3.876 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.218 9.954 4.359 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.549 10.351 2.788 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.708 9.572 5.045 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.589 8.334 4.172 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.735 7.790 1.020 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.851 7.007 2.614 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.310 7.668 1.839 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.263 12.618 4.661 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.415 13.464 4.374 1.00 0.00 C ATOM 1403 C VAL A 91 -7.102 14.930 4.647 1.00 0.00 C ATOM 1404 O VAL A 91 -7.371 15.799 3.816 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.639 13.047 5.211 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.838 13.922 4.877 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.963 11.578 4.987 1.00 0.00 C ATOM 0 H VAL A 91 -6.388 11.991 5.456 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.646 13.336 3.316 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.400 13.186 6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.693 13.612 5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.600 14.963 5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.081 13.818 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.830 11.301 5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.182 11.410 3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.109 10.968 5.281 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.530 15.200 5.815 1.00 0.00 N ATOM 1418 CA LEU A 92 -6.178 16.563 6.199 1.00 0.00 C ATOM 1419 C LEU A 92 -5.393 17.255 5.090 1.00 0.00 C ATOM 1420 O LEU A 92 -5.854 18.237 4.507 1.00 0.00 O ATOM 1421 CB LEU A 92 -5.359 16.555 7.491 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.968 15.790 8.666 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.967 15.676 9.805 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -7.244 16.469 9.141 1.00 0.00 C ATOM 0 H LEU A 92 -6.300 14.493 6.513 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.102 17.117 6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.380 16.129 7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.196 17.587 7.801 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.219 14.785 8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.418 15.128 10.632 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.081 15.144 9.459 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.684 16.673 10.142 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.664 15.911 9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -7.018 17.486 9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.966 16.497 8.325 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.205 16.736 4.801 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.355 17.302 3.759 1.00 0.00 C ATOM 1438 C LEU A 93 -3.839 16.885 2.374 1.00 0.00 C ATOM 1439 O LEU A 93 -4.640 15.961 2.239 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.905 16.859 3.959 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.638 15.358 3.833 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.421 14.976 2.377 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.437 14.957 4.676 1.00 0.00 C ATOM 0 H LEU A 93 -3.808 15.924 5.274 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.410 18.388 3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.283 17.381 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.580 17.184 4.947 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.511 14.820 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.232 13.905 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.310 15.227 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.565 15.522 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.262 13.886 4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.444 15.502 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.631 15.195 5.722 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.347 17.572 1.349 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.726 17.270 -0.026 1.00 0.00 C ATOM 1457 C ALA A 94 -2.824 16.194 -0.621 1.00 0.00 C ATOM 1458 O ALA A 94 -3.302 15.163 -1.094 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.678 18.531 -0.876 1.00 0.00 C ATOM 0 H ALA A 94 -2.685 18.342 1.444 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.747 16.888 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.963 18.291 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.370 19.270 -0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.667 18.938 -0.867 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.519 16.442 -0.594 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.551 15.493 -1.130 1.00 0.00 C ATOM 1467 C ILE A 95 0.400 15.004 -0.043 1.00 0.00 C ATOM 1468 O ILE A 95 1.074 15.788 0.626 1.00 0.00 O ATOM 1469 CB ILE A 95 0.271 16.115 -2.274 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.650 16.555 -3.413 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.310 15.124 -2.779 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.586 15.466 -3.889 1.00 0.00 C ATOM 0 H ILE A 95 -1.108 17.291 -0.207 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.119 14.648 -1.519 1.00 0.00 H new ATOM 0 HB ILE A 95 0.790 16.994 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.239 17.411 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.041 16.892 -4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.883 15.578 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.982 14.855 -1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.810 14.228 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.209 15.849 -4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.004 14.618 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.221 15.145 -3.063 1.00 0.00 H new ATOM 1484 N PRO A 96 0.459 13.676 0.138 1.00 0.00 N ATOM 1485 CA PRO A 96 1.327 13.052 1.141 1.00 0.00 C ATOM 1486 C PRO A 96 2.804 13.168 0.783 1.00 0.00 C ATOM 1487 O PRO A 96 3.160 13.735 -0.251 1.00 0.00 O ATOM 1488 CB PRO A 96 0.887 11.586 1.128 1.00 0.00 C ATOM 1489 CG PRO A 96 0.315 11.375 -0.232 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.315 12.682 -0.624 1.00 0.00 C ATOM 0 HA PRO A 96 1.233 13.531 2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.729 10.918 1.312 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.148 11.388 1.904 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.091 11.088 -0.941 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.423 10.573 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.245 12.856 -1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.373 12.712 -0.364 1.00 0.00 H new ATOM 1498 N ASP A 97 3.661 12.627 1.642 1.00 0.00 N ATOM 1499 CA ASP A 97 5.101 12.669 1.415 1.00 0.00 C ATOM 1500 C ASP A 97 5.586 11.375 0.768 1.00 0.00 C ATOM 1501 O ASP A 97 5.577 10.314 1.392 1.00 0.00 O ATOM 1502 CB ASP A 97 5.840 12.902 2.733 1.00 0.00 C ATOM 1503 CG ASP A 97 5.855 14.363 3.138 1.00 0.00 C ATOM 1504 OD1 ASP A 97 6.647 15.133 2.555 1.00 0.00 O ATOM 1505 OD2 ASP A 97 5.073 14.737 4.037 1.00 0.00 O ATOM 0 H ASP A 97 3.383 12.154 2.502 1.00 0.00 H new ATOM 0 HA ASP A 97 5.314 13.496 0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.367 12.315 3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.865 12.543 2.640 1.00 0.00 H new ATOM 1510 N LYS A 98 6.009 11.471 -0.488 1.00 0.00 N ATOM 1511 CA LYS A 98 6.499 10.310 -1.222 1.00 0.00 C ATOM 1512 C LYS A 98 7.474 9.501 -0.372 1.00 0.00 C ATOM 1513 O LYS A 98 7.334 8.285 -0.236 1.00 0.00 O ATOM 1514 CB LYS A 98 7.180 10.751 -2.519 1.00 0.00 C ATOM 1515 CG LYS A 98 7.563 9.596 -3.428 1.00 0.00 C ATOM 1516 CD LYS A 98 8.617 10.009 -4.442 1.00 0.00 C ATOM 1517 CE LYS A 98 9.443 8.819 -4.904 1.00 0.00 C ATOM 1518 NZ LYS A 98 9.980 9.016 -6.279 1.00 0.00 N ATOM 0 H LYS A 98 6.022 12.342 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 98 5.645 9.678 -1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.513 11.422 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.076 11.322 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.940 8.768 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.677 9.234 -3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.134 10.474 -5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.273 10.759 -4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.269 8.660 -4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.828 7.919 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.537 8.183 -6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.191 9.143 -6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.587 9.860 -6.297 1.00 0.00 H new ATOM 1532 N LEU A 99 8.462 10.183 0.197 1.00 0.00 N ATOM 1533 CA LEU A 99 9.460 9.528 1.035 1.00 0.00 C ATOM 1534 C LEU A 99 8.794 8.728 2.150 1.00 0.00 C ATOM 1535 O LEU A 99 9.161 7.582 2.412 1.00 0.00 O ATOM 1536 CB LEU A 99 10.411 10.565 1.635 1.00 0.00 C ATOM 1537 CG LEU A 99 11.014 11.570 0.652 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.759 12.666 1.399 1.00 0.00 C ATOM 1539 CD2 LEU A 99 11.940 10.866 -0.329 1.00 0.00 C ATOM 0 H LEU A 99 8.593 11.189 0.093 1.00 0.00 H new ATOM 0 HA LEU A 99 10.029 8.841 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.874 11.118 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.226 10.038 2.130 1.00 0.00 H new ATOM 0 HG LEU A 99 10.202 12.030 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.181 13.372 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.069 13.189 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.562 12.223 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.360 11.596 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.747 10.378 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.377 10.118 -0.888 1.00 0.00 H new ATOM 1551 N THR A 100 7.811 9.338 2.804 1.00 0.00 N ATOM 1552 CA THR A 100 7.093 8.683 3.890 1.00 0.00 C ATOM 1553 C THR A 100 6.341 7.455 3.390 1.00 0.00 C ATOM 1554 O THR A 100 6.657 6.326 3.765 1.00 0.00 O ATOM 1555 CB THR A 100 6.094 9.643 4.563 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.728 10.897 4.837 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.558 9.047 5.856 1.00 0.00 C ATOM 0 H THR A 100 7.494 10.286 2.600 1.00 0.00 H new ATOM 0 HA THR A 100 7.840 8.376 4.622 1.00 0.00 H new ATOM 0 HB THR A 100 5.259 9.800 3.880 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.142 11.443 5.402 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.855 9.743 6.313 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.050 8.107 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.385 8.864 6.542 1.00 0.00 H new ATOM 1565 N VAL A 101 5.345 7.682 2.540 1.00 0.00 N ATOM 1566 CA VAL A 101 4.549 6.593 1.986 1.00 0.00 C ATOM 1567 C VAL A 101 5.433 5.422 1.572 1.00 0.00 C ATOM 1568 O VAL A 101 5.289 4.312 2.083 1.00 0.00 O ATOM 1569 CB VAL A 101 3.729 7.060 0.769 1.00 0.00 C ATOM 1570 CG1 VAL A 101 2.935 5.901 0.184 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.808 8.207 1.155 1.00 0.00 C ATOM 0 H VAL A 101 5.070 8.611 2.220 1.00 0.00 H new ATOM 0 HA VAL A 101 3.866 6.268 2.771 1.00 0.00 H new ATOM 0 HB VAL A 101 4.418 7.420 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.362 6.250 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.620 5.114 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.254 5.508 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.236 8.524 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.124 7.877 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.403 9.043 1.523 1.00 0.00 H new ATOM 1581 N MET A 102 6.347 5.678 0.642 1.00 0.00 N ATOM 1582 CA MET A 102 7.256 4.645 0.160 1.00 0.00 C ATOM 1583 C MET A 102 7.830 3.840 1.322 1.00 0.00 C ATOM 1584 O MET A 102 7.870 2.610 1.279 1.00 0.00 O ATOM 1585 CB MET A 102 8.392 5.273 -0.650 1.00 0.00 C ATOM 1586 CG MET A 102 8.027 5.541 -2.101 1.00 0.00 C ATOM 1587 SD MET A 102 9.424 6.142 -3.069 1.00 0.00 S ATOM 1588 CE MET A 102 9.899 4.652 -3.941 1.00 0.00 C ATOM 0 H MET A 102 6.478 6.591 0.207 1.00 0.00 H new ATOM 0 HA MET A 102 6.691 3.970 -0.482 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.688 6.210 -0.179 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.259 4.613 -0.618 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.646 4.624 -2.551 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.221 6.274 -2.139 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.957 4.703 -4.200 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.723 3.786 -3.303 1.00 0.00 H new ATOM 0 HE3 MET A 102 9.307 4.559 -4.851 1.00 0.00 H new ATOM 1598 N THR A 103 8.273 4.542 2.360 1.00 0.00 N ATOM 1599 CA THR A 103 8.846 3.892 3.533 1.00 0.00 C ATOM 1600 C THR A 103 7.929 2.791 4.054 1.00 0.00 C ATOM 1601 O THR A 103 8.319 1.625 4.121 1.00 0.00 O ATOM 1602 CB THR A 103 9.108 4.904 4.664 1.00 0.00 C ATOM 1603 OG1 THR A 103 9.892 5.997 4.171 1.00 0.00 O ATOM 1604 CG2 THR A 103 9.829 4.241 5.828 1.00 0.00 C ATOM 0 H THR A 103 8.246 5.560 2.413 1.00 0.00 H new ATOM 0 HA THR A 103 9.794 3.454 3.220 1.00 0.00 H new ATOM 0 HB THR A 103 8.147 5.277 5.018 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.318 6.610 3.667 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.003 4.976 6.614 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.217 3.428 6.220 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.784 3.843 5.485 1.00 0.00 H new ATOM 1612 N TYR A 104 6.710 3.168 4.422 1.00 0.00 N ATOM 1613 CA TYR A 104 5.738 2.212 4.939 1.00 0.00 C ATOM 1614 C TYR A 104 5.591 1.021 3.998 1.00 0.00 C ATOM 1615 O TYR A 104 5.634 -0.133 4.426 1.00 0.00 O ATOM 1616 CB TYR A 104 4.381 2.890 5.138 1.00 0.00 C ATOM 1617 CG TYR A 104 3.333 1.981 5.740 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.632 1.164 6.822 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.042 1.942 5.226 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.678 0.332 7.375 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.081 1.114 5.773 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.404 0.311 6.847 1.00 0.00 C ATOM 1623 OH TYR A 104 0.450 -0.516 7.396 1.00 0.00 O ATOM 0 H TYR A 104 6.371 4.129 4.372 1.00 0.00 H new ATOM 0 HA TYR A 104 6.100 1.849 5.901 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.510 3.759 5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.023 3.257 4.176 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.628 1.179 7.239 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.786 2.569 4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 104 2.928 -0.298 8.216 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.082 1.095 5.362 1.00 0.00 H new ATOM 0 HH TYR A 104 0.633 -0.637 8.351 1.00 0.00 H new ATOM 1633 N LEU A 105 5.418 1.309 2.712 1.00 0.00 N ATOM 1634 CA LEU A 105 5.266 0.263 1.708 1.00 0.00 C ATOM 1635 C LEU A 105 6.455 -0.692 1.731 1.00 0.00 C ATOM 1636 O LEU A 105 6.285 -1.909 1.809 1.00 0.00 O ATOM 1637 CB LEU A 105 5.121 0.882 0.316 1.00 0.00 C ATOM 1638 CG LEU A 105 3.704 1.279 -0.098 1.00 0.00 C ATOM 1639 CD1 LEU A 105 3.737 2.160 -1.337 1.00 0.00 C ATOM 1640 CD2 LEU A 105 2.853 0.042 -0.344 1.00 0.00 C ATOM 0 H LEU A 105 5.380 2.258 2.341 1.00 0.00 H new ATOM 0 HA LEU A 105 4.365 -0.303 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.754 1.768 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.507 0.173 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 105 3.255 1.848 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.719 2.433 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.310 3.063 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.206 1.617 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.848 0.344 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.300 -0.554 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.801 -0.551 0.569 1.00 0.00 H new ATOM 1652 N TYR A 106 7.657 -0.133 1.666 1.00 0.00 N ATOM 1653 CA TYR A 106 8.875 -0.934 1.679 1.00 0.00 C ATOM 1654 C TYR A 106 8.801 -2.021 2.748 1.00 0.00 C ATOM 1655 O TYR A 106 9.345 -3.111 2.578 1.00 0.00 O ATOM 1656 CB TYR A 106 10.094 -0.044 1.926 1.00 0.00 C ATOM 1657 CG TYR A 106 10.668 0.560 0.664 1.00 0.00 C ATOM 1658 CD1 TYR A 106 10.982 -0.236 -0.430 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.896 1.927 0.567 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.507 0.312 -1.585 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.419 2.484 -0.584 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.724 1.672 -1.657 1.00 0.00 C ATOM 1663 OH TYR A 106 12.245 2.222 -2.806 1.00 0.00 O ATOM 0 H TYR A 106 7.815 0.873 1.604 1.00 0.00 H new ATOM 0 HA TYR A 106 8.974 -1.413 0.705 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.815 0.759 2.609 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.867 -0.631 2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.813 -1.301 -0.377 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.660 2.565 1.406 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.746 -0.321 -2.427 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.588 3.549 -0.644 1.00 0.00 H new ATOM 0 HH TYR A 106 12.335 3.191 -2.693 1.00 0.00 H new ATOM 1673 N GLN A 107 8.122 -1.713 3.849 1.00 0.00 N ATOM 1674 CA GLN A 107 7.975 -2.663 4.945 1.00 0.00 C ATOM 1675 C GLN A 107 7.115 -3.850 4.526 1.00 0.00 C ATOM 1676 O GLN A 107 7.462 -5.002 4.786 1.00 0.00 O ATOM 1677 CB GLN A 107 7.358 -1.975 6.164 1.00 0.00 C ATOM 1678 CG GLN A 107 8.122 -0.742 6.619 1.00 0.00 C ATOM 1679 CD GLN A 107 9.247 -1.074 7.580 1.00 0.00 C ATOM 1680 OE1 GLN A 107 9.995 -2.029 7.371 1.00 0.00 O ATOM 1681 NE2 GLN A 107 9.372 -0.285 8.640 1.00 0.00 N ATOM 0 H GLN A 107 7.666 -0.814 4.005 1.00 0.00 H new ATOM 0 HA GLN A 107 8.966 -3.032 5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.332 -1.690 5.930 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.311 -2.687 6.988 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.532 -0.231 5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.432 -0.048 7.099 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.729 0.496 8.773 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.111 -0.459 9.321 1.00 0.00 H new ATOM 1690 N ILE A 108 5.991 -3.560 3.878 1.00 0.00 N ATOM 1691 CA ILE A 108 5.082 -4.604 3.423 1.00 0.00 C ATOM 1692 C ILE A 108 5.733 -5.471 2.350 1.00 0.00 C ATOM 1693 O ILE A 108 5.892 -6.679 2.527 1.00 0.00 O ATOM 1694 CB ILE A 108 3.776 -4.009 2.863 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.937 -3.411 3.994 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.986 -5.073 2.116 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.332 -1.996 4.356 1.00 0.00 C ATOM 0 H ILE A 108 5.689 -2.611 3.657 1.00 0.00 H new ATOM 0 HA ILE A 108 4.848 -5.219 4.292 1.00 0.00 H new ATOM 0 HB ILE A 108 4.028 -3.213 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.887 -3.423 3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.030 -4.043 4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.066 -4.637 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.584 -5.457 1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.741 -5.889 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.696 -1.636 5.164 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.373 -1.980 4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.212 -1.351 3.486 1.00 0.00 H new ATOM 1709 N ARG A 109 6.108 -4.846 1.240 1.00 0.00 N ATOM 1710 CA ARG A 109 6.743 -5.560 0.138 1.00 0.00 C ATOM 1711 C ARG A 109 7.873 -6.451 0.647 1.00 0.00 C ATOM 1712 O ARG A 109 8.056 -7.570 0.171 1.00 0.00 O ATOM 1713 CB ARG A 109 7.285 -4.570 -0.894 1.00 0.00 C ATOM 1714 CG ARG A 109 8.175 -5.213 -1.946 1.00 0.00 C ATOM 1715 CD ARG A 109 9.184 -4.222 -2.503 1.00 0.00 C ATOM 1716 NE ARG A 109 10.169 -4.870 -3.366 1.00 0.00 N ATOM 1717 CZ ARG A 109 11.321 -4.310 -3.716 1.00 0.00 C ATOM 1718 NH1 ARG A 109 11.633 -3.098 -3.278 1.00 0.00 N ATOM 1719 NH2 ARG A 109 12.165 -4.963 -4.504 1.00 0.00 N ATOM 0 H ARG A 109 5.984 -3.847 1.079 1.00 0.00 H new ATOM 0 HA ARG A 109 5.991 -6.191 -0.335 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.447 -4.080 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.849 -3.793 -0.378 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.700 -6.062 -1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.559 -5.602 -2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.660 -3.450 -3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.696 -3.724 -1.679 1.00 0.00 H new ATOM 0 HE ARG A 109 9.960 -5.804 -3.719 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.987 -2.593 -2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.519 -2.670 -3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.929 -5.896 -4.842 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.050 -4.532 -4.772 1.00 0.00 H new ATOM 1733 N ALA A 110 8.627 -5.945 1.617 1.00 0.00 N ATOM 1734 CA ALA A 110 9.737 -6.694 2.191 1.00 0.00 C ATOM 1735 C ALA A 110 9.237 -7.901 2.979 1.00 0.00 C ATOM 1736 O ALA A 110 9.788 -8.996 2.873 1.00 0.00 O ATOM 1737 CB ALA A 110 10.578 -5.792 3.083 1.00 0.00 C ATOM 0 H ALA A 110 8.489 -5.019 2.022 1.00 0.00 H new ATOM 0 HA ALA A 110 10.357 -7.059 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.404 -6.365 3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.974 -4.965 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.959 -5.399 3.890 1.00 0.00 H new ATOM 1743 N HIS A 111 8.188 -7.692 3.769 1.00 0.00 N ATOM 1744 CA HIS A 111 7.613 -8.763 4.574 1.00 0.00 C ATOM 1745 C HIS A 111 7.329 -9.994 3.719 1.00 0.00 C ATOM 1746 O HIS A 111 7.826 -11.085 3.999 1.00 0.00 O ATOM 1747 CB HIS A 111 6.325 -8.288 5.248 1.00 0.00 C ATOM 1748 CG HIS A 111 5.820 -9.224 6.303 1.00 0.00 C ATOM 1749 ND1 HIS A 111 6.098 -9.066 7.644 1.00 0.00 N ATOM 1750 CD2 HIS A 111 5.050 -10.333 6.208 1.00 0.00 C ATOM 1751 CE1 HIS A 111 5.521 -10.038 8.328 1.00 0.00 C ATOM 1752 NE2 HIS A 111 4.879 -10.820 7.480 1.00 0.00 N ATOM 0 H HIS A 111 7.720 -6.791 3.868 1.00 0.00 H new ATOM 0 HA HIS A 111 8.337 -9.035 5.342 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.498 -7.309 5.695 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.554 -8.159 4.489 1.00 0.00 H new ATOM 0 HD2 HIS A 111 4.645 -10.756 5.300 1.00 0.00 H new ATOM 0 HE1 HIS A 111 5.567 -10.170 9.399 1.00 0.00 H new ATOM 0 HE2 HIS A 111 4.343 -11.651 7.729 1.00 0.00 H new ATOM 1761 N PHE A 112 6.527 -9.812 2.675 1.00 0.00 N ATOM 1762 CA PHE A 112 6.176 -10.908 1.780 1.00 0.00 C ATOM 1763 C PHE A 112 7.346 -11.258 0.864 1.00 0.00 C ATOM 1764 O PHE A 112 7.836 -12.387 0.870 1.00 0.00 O ATOM 1765 CB PHE A 112 4.951 -10.537 0.941 1.00 0.00 C ATOM 1766 CG PHE A 112 3.668 -10.536 1.722 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.942 -11.704 1.887 1.00 0.00 C ATOM 1768 CD2 PHE A 112 3.189 -9.367 2.291 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.761 -11.707 2.606 1.00 0.00 C ATOM 1770 CE2 PHE A 112 2.009 -9.364 3.011 1.00 0.00 C ATOM 1771 CZ PHE A 112 1.294 -10.535 3.168 1.00 0.00 C ATOM 0 H PHE A 112 6.108 -8.915 2.428 1.00 0.00 H new ATOM 0 HA PHE A 112 5.940 -11.780 2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.104 -9.549 0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.862 -11.239 0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.303 -12.623 1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.744 -8.448 2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.204 -12.625 2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.646 -8.446 3.450 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.371 -10.534 3.729 1.00 0.00 H new