USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot 180:sc= -0.908 USER MOD Single : A 17 LYS NZ :NH3+ -123:sc= 0.592 (180deg=-0.00574) USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= 0.94 (180deg=0.854) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0378) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.829 K(o=-0.83,f=-0.0021) USER MOD Single : A 42 THR OG1 : rot -9:sc= 1.21 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -68:sc= -0.578 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -6.77! C(o=-6.8!,f=-12!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0.0168 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 80 THR OG1 : rot 1:sc= -2.33! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 165:sc=-0.00409 (180deg=-0.135) USER MOD Single : A 98 HIS : no HD1:sc= -0.752 X(o=-0.75,f=-1) USER MOD Single : A 102 CYS SG : rot -82:sc= 0.0459 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N TRP A 12 -8.034 -1.900 2.094 1.00 0.00 N ATOM 130 CA TRP A 12 -7.525 -0.924 1.137 1.00 0.00 C ATOM 131 C TRP A 12 -8.558 -0.634 0.053 1.00 0.00 C ATOM 132 O TRP A 12 -9.588 -1.303 -0.031 1.00 0.00 O ATOM 133 CB TRP A 12 -6.230 -1.430 0.500 1.00 0.00 C ATOM 134 CG TRP A 12 -5.123 -1.635 1.490 1.00 0.00 C ATOM 135 CD1 TRP A 12 -4.473 -0.670 2.205 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.535 -2.883 1.872 1.00 0.00 C ATOM 137 NE1 TRP A 12 -3.517 -1.242 3.008 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.535 -2.600 2.823 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.757 -4.213 1.505 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.760 -3.597 3.408 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -3.986 -5.202 2.086 1.00 0.00 C ATOM 142 CH2 TRP A 12 -2.999 -4.890 3.030 1.00 0.00 C ATOM 0 HA TRP A 12 -7.320 0.001 1.675 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.429 -2.371 -0.012 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.903 -0.718 -0.258 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.680 0.388 2.147 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.895 -0.738 3.640 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.518 -4.464 0.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.997 -3.359 4.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.147 -6.233 1.808 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.415 -5.686 3.468 1.00 0.00 H new ATOM 153 N SER A 13 -8.277 0.368 -0.774 1.00 0.00 N ATOM 154 CA SER A 13 -9.184 0.748 -1.850 1.00 0.00 C ATOM 155 C SER A 13 -8.714 0.177 -3.185 1.00 0.00 C ATOM 156 O SER A 13 -7.520 0.119 -3.478 1.00 0.00 O ATOM 157 CB SER A 13 -9.289 2.272 -1.943 1.00 0.00 C ATOM 158 OG SER A 13 -10.420 2.660 -2.704 1.00 0.00 O ATOM 0 H SER A 13 -7.428 0.931 -0.719 1.00 0.00 H new ATOM 0 HA SER A 13 -10.168 0.336 -1.625 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.358 2.697 -0.941 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.385 2.675 -2.399 1.00 0.00 H new ATOM 0 HG SER A 13 -10.466 3.638 -2.747 1.00 0.00 H new ATOM 164 N PRO A 14 -9.676 -0.256 -4.014 1.00 0.00 N ATOM 165 CA PRO A 14 -9.386 -0.830 -5.331 1.00 0.00 C ATOM 166 C PRO A 14 -8.869 0.212 -6.317 1.00 0.00 C ATOM 167 O PRO A 14 -8.608 -0.096 -7.479 1.00 0.00 O ATOM 168 CB PRO A 14 -10.742 -1.372 -5.788 1.00 0.00 C ATOM 169 CG PRO A 14 -11.745 -0.548 -5.056 1.00 0.00 C ATOM 170 CD PRO A 14 -11.120 -0.217 -3.729 1.00 0.00 C ATOM 0 HA PRO A 14 -8.603 -1.587 -5.282 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.863 -1.277 -6.867 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.847 -2.430 -5.547 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.985 0.359 -5.611 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.678 -1.096 -4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.433 0.764 -3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.398 -0.940 -2.962 1.00 0.00 H new ATOM 178 N GLU A 15 -8.723 1.446 -5.844 1.00 0.00 N ATOM 179 CA GLU A 15 -8.237 2.533 -6.685 1.00 0.00 C ATOM 180 C GLU A 15 -6.971 3.151 -6.099 1.00 0.00 C ATOM 181 O GLU A 15 -7.015 3.831 -5.074 1.00 0.00 O ATOM 182 CB GLU A 15 -9.315 3.607 -6.843 1.00 0.00 C ATOM 183 CG GLU A 15 -9.466 4.502 -5.624 1.00 0.00 C ATOM 184 CD GLU A 15 -10.863 5.076 -5.490 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.765 4.616 -6.222 1.00 0.00 O ATOM 186 OE2 GLU A 15 -11.055 5.983 -4.654 1.00 0.00 O ATOM 0 H GLU A 15 -8.934 1.717 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.999 2.120 -7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.077 4.224 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.270 3.124 -7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.224 3.932 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.746 5.318 -5.686 1.00 0.00 H new ATOM 193 N VAL A 16 -5.842 2.908 -6.758 1.00 0.00 N ATOM 194 CA VAL A 16 -4.562 3.440 -6.303 1.00 0.00 C ATOM 195 C VAL A 16 -4.415 4.911 -6.676 1.00 0.00 C ATOM 196 O VAL A 16 -5.014 5.381 -7.644 1.00 0.00 O ATOM 197 CB VAL A 16 -3.382 2.650 -6.900 1.00 0.00 C ATOM 198 CG1 VAL A 16 -3.462 2.636 -8.418 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.059 3.236 -6.432 1.00 0.00 C ATOM 0 H VAL A 16 -5.788 2.347 -7.608 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.545 3.340 -5.218 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.441 1.620 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.620 2.073 -8.822 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.395 2.166 -8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.428 3.659 -8.794 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.236 2.666 -6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.988 4.275 -6.753 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.004 3.187 -5.344 1.00 0.00 H new ATOM 209 N LYS A 17 -3.613 5.635 -5.903 1.00 0.00 N ATOM 210 CA LYS A 17 -3.384 7.053 -6.152 1.00 0.00 C ATOM 211 C LYS A 17 -1.897 7.339 -6.339 1.00 0.00 C ATOM 212 O LYS A 17 -1.073 6.957 -5.509 1.00 0.00 O ATOM 213 CB LYS A 17 -3.933 7.890 -4.995 1.00 0.00 C ATOM 214 CG LYS A 17 -3.546 7.362 -3.624 1.00 0.00 C ATOM 215 CD LYS A 17 -3.708 8.425 -2.551 1.00 0.00 C ATOM 216 CE LYS A 17 -2.866 8.111 -1.324 1.00 0.00 C ATOM 217 NZ LYS A 17 -3.418 8.745 -0.095 1.00 0.00 N ATOM 0 H LYS A 17 -3.110 5.262 -5.098 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.907 7.324 -7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.573 8.914 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.020 7.926 -5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.164 6.498 -3.378 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.512 7.019 -3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.419 9.396 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.757 8.498 -2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.816 7.031 -1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.846 8.459 -1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.693 9.353 0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.248 9.320 -0.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.699 8.006 0.581 1.00 0.00 H new ATOM 231 N ILE A 18 -1.563 8.015 -7.433 1.00 0.00 N ATOM 232 CA ILE A 18 -0.176 8.354 -7.727 1.00 0.00 C ATOM 233 C ILE A 18 0.227 9.658 -7.047 1.00 0.00 C ATOM 234 O ILE A 18 -0.286 10.728 -7.379 1.00 0.00 O ATOM 235 CB ILE A 18 0.063 8.483 -9.243 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.400 7.215 -9.964 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.533 8.754 -9.526 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.395 5.984 -9.590 1.00 0.00 C ATOM 0 H ILE A 18 -2.234 8.339 -8.130 1.00 0.00 H new ATOM 0 HA ILE A 18 0.437 7.540 -7.339 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.520 9.324 -9.618 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.452 7.041 -9.737 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.328 7.372 -11.040 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.686 8.843 -10.602 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.832 9.682 -9.039 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.135 7.932 -9.140 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.012 5.123 -10.138 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.444 6.138 -9.842 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.302 5.802 -8.519 1.00 0.00 H new ATOM 250 N VAL A 19 1.150 9.563 -6.095 1.00 0.00 N ATOM 251 CA VAL A 19 1.624 10.736 -5.371 1.00 0.00 C ATOM 252 C VAL A 19 2.967 11.211 -5.913 1.00 0.00 C ATOM 253 O VAL A 19 3.912 10.432 -6.027 1.00 0.00 O ATOM 254 CB VAL A 19 1.765 10.445 -3.865 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.429 11.615 -3.155 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.407 10.141 -3.251 1.00 0.00 C ATOM 0 H VAL A 19 1.584 8.686 -5.807 1.00 0.00 H new ATOM 0 HA VAL A 19 0.880 11.520 -5.515 1.00 0.00 H new ATOM 0 HB VAL A 19 2.399 9.567 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.520 11.391 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.420 11.782 -3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.823 12.512 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.526 9.938 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.253 10.998 -3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.027 9.269 -3.740 1.00 0.00 H new ATOM 266 N GLU A 20 3.043 12.496 -6.247 1.00 0.00 N ATOM 267 CA GLU A 20 4.271 13.075 -6.779 1.00 0.00 C ATOM 268 C GLU A 20 5.223 13.462 -5.650 1.00 0.00 C ATOM 269 O GLU A 20 5.019 14.468 -4.969 1.00 0.00 O ATOM 270 CB GLU A 20 3.953 14.301 -7.637 1.00 0.00 C ATOM 271 CG GLU A 20 3.696 13.973 -9.098 1.00 0.00 C ATOM 272 CD GLU A 20 2.983 15.092 -9.831 1.00 0.00 C ATOM 273 OE1 GLU A 20 1.735 15.124 -9.796 1.00 0.00 O ATOM 274 OE2 GLU A 20 3.674 15.936 -10.439 1.00 0.00 O ATOM 0 H GLU A 20 2.269 13.155 -6.159 1.00 0.00 H new ATOM 0 HA GLU A 20 4.758 12.323 -7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.077 14.803 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.783 15.004 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.645 13.767 -9.593 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.099 13.063 -9.163 1.00 0.00 H new ATOM 281 N LEU A 21 6.262 12.658 -5.459 1.00 0.00 N ATOM 282 CA LEU A 21 7.246 12.915 -4.413 1.00 0.00 C ATOM 283 C LEU A 21 8.581 13.341 -5.015 1.00 0.00 C ATOM 284 O LEU A 21 9.121 12.670 -5.894 1.00 0.00 O ATOM 285 CB LEU A 21 7.439 11.667 -3.549 1.00 0.00 C ATOM 286 CG LEU A 21 6.364 11.411 -2.492 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.874 10.441 -1.437 1.00 0.00 C ATOM 288 CD2 LEU A 21 5.924 12.718 -1.850 1.00 0.00 C ATOM 0 H LEU A 21 6.445 11.822 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 21 6.873 13.727 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.489 10.799 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.404 11.742 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 21 5.500 10.962 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.096 10.271 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.138 9.495 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.754 10.862 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.159 12.516 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.780 13.196 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.517 13.380 -2.614 1.00 0.00 H new ATOM 300 N VAL A 22 9.110 14.462 -4.534 1.00 0.00 N ATOM 301 CA VAL A 22 10.384 14.977 -5.021 1.00 0.00 C ATOM 302 C VAL A 22 11.545 14.460 -4.179 1.00 0.00 C ATOM 303 O VAL A 22 11.791 14.947 -3.075 1.00 0.00 O ATOM 304 CB VAL A 22 10.406 16.517 -5.015 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.707 17.035 -5.610 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.207 17.070 -5.771 1.00 0.00 C ATOM 0 H VAL A 22 8.676 15.031 -3.807 1.00 0.00 H new ATOM 0 HA VAL A 22 10.497 14.623 -6.046 1.00 0.00 H new ATOM 0 HB VAL A 22 10.345 16.860 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.704 18.125 -5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.548 16.667 -5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.802 16.684 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.239 18.159 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.234 16.720 -6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.288 16.727 -5.296 1.00 0.00 H new ATOM 316 N LYS A 23 12.256 13.469 -4.706 1.00 0.00 N ATOM 317 CA LYS A 23 13.393 12.885 -4.005 1.00 0.00 C ATOM 318 C LYS A 23 14.533 13.891 -3.886 1.00 0.00 C ATOM 319 O LYS A 23 14.604 14.857 -4.646 1.00 0.00 O ATOM 320 CB LYS A 23 13.879 11.631 -4.734 1.00 0.00 C ATOM 321 CG LYS A 23 15.145 11.036 -4.143 1.00 0.00 C ATOM 322 CD LYS A 23 15.436 9.660 -4.719 1.00 0.00 C ATOM 323 CE LYS A 23 16.925 9.351 -4.698 1.00 0.00 C ATOM 324 NZ LYS A 23 17.187 7.885 -4.690 1.00 0.00 N ATOM 0 H LYS A 23 12.064 13.053 -5.617 1.00 0.00 H new ATOM 0 HA LYS A 23 13.067 12.611 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.090 10.879 -4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.057 11.876 -5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.987 11.700 -4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.043 10.964 -3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.898 8.904 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.067 9.608 -5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.402 9.800 -5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.378 9.806 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.131 7.703 -4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.469 7.407 -4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.144 7.519 -5.663 1.00 0.00 H new ATOM 338 N ASP A 24 15.424 13.657 -2.928 1.00 0.00 N ATOM 339 CA ASP A 24 16.563 14.542 -2.711 1.00 0.00 C ATOM 340 C ASP A 24 17.855 13.741 -2.575 1.00 0.00 C ATOM 341 O ASP A 24 17.860 12.520 -2.740 1.00 0.00 O ATOM 342 CB ASP A 24 16.343 15.395 -1.461 1.00 0.00 C ATOM 343 CG ASP A 24 16.837 14.713 -0.201 1.00 0.00 C ATOM 344 OD1 ASP A 24 16.356 13.600 0.099 1.00 0.00 O ATOM 345 OD2 ASP A 24 17.704 15.292 0.487 1.00 0.00 O ATOM 0 H ASP A 24 15.379 12.863 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 24 16.652 15.198 -3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.857 16.349 -1.580 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.281 15.617 -1.358 1.00 0.00 H new ATOM 350 N CYS A 25 18.946 14.435 -2.273 1.00 0.00 N ATOM 351 CA CYS A 25 20.244 13.789 -2.116 1.00 0.00 C ATOM 352 C CYS A 25 20.126 12.531 -1.263 1.00 0.00 C ATOM 353 O CYS A 25 20.431 11.428 -1.717 1.00 0.00 O ATOM 354 CB CYS A 25 21.246 14.757 -1.484 1.00 0.00 C ATOM 355 SG CYS A 25 21.774 16.094 -2.581 1.00 0.00 S ATOM 0 H CYS A 25 18.958 15.445 -2.132 1.00 0.00 H new ATOM 0 HA CYS A 25 20.601 13.503 -3.105 1.00 0.00 H new ATOM 0 HB2 CYS A 25 20.801 15.191 -0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.124 14.196 -1.164 1.00 0.00 H new ATOM 0 HG CYS A 25 22.618 16.860 -1.956 1.00 0.00 H new ATOM 361 N LYS A 26 19.682 12.704 -0.022 1.00 0.00 N ATOM 362 CA LYS A 26 19.523 11.583 0.897 1.00 0.00 C ATOM 363 C LYS A 26 18.504 10.582 0.363 1.00 0.00 C ATOM 364 O LYS A 26 18.602 9.383 0.623 1.00 0.00 O ATOM 365 CB LYS A 26 19.087 12.086 2.275 1.00 0.00 C ATOM 366 CG LYS A 26 17.667 12.623 2.305 1.00 0.00 C ATOM 367 CD LYS A 26 17.092 12.604 3.712 1.00 0.00 C ATOM 368 CE LYS A 26 17.641 13.746 4.553 1.00 0.00 C ATOM 369 NZ LYS A 26 17.019 15.050 4.191 1.00 0.00 N ATOM 0 H LYS A 26 19.426 13.610 0.370 1.00 0.00 H new ATOM 0 HA LYS A 26 20.486 11.080 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.174 11.271 2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.770 12.871 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.655 13.643 1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.037 12.026 1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.005 12.676 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.327 11.653 4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.462 13.539 5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.721 13.809 4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.316 15.777 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.323 15.326 3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.983 14.958 4.212 1.00 0.00 H new ATOM 383 N GLY A 27 17.526 11.082 -0.386 1.00 0.00 N ATOM 384 CA GLY A 27 16.504 10.217 -0.945 1.00 0.00 C ATOM 385 C GLY A 27 15.104 10.642 -0.550 1.00 0.00 C ATOM 386 O GLY A 27 14.740 11.811 -0.687 1.00 0.00 O ATOM 0 H GLY A 27 17.423 12.071 -0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.587 10.217 -2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.677 9.194 -0.612 1.00 0.00 H new ATOM 390 N LEU A 28 14.315 9.692 -0.059 1.00 0.00 N ATOM 391 CA LEU A 28 12.946 9.974 0.357 1.00 0.00 C ATOM 392 C LEU A 28 12.887 10.317 1.842 1.00 0.00 C ATOM 393 O LEU A 28 13.916 10.413 2.509 1.00 0.00 O ATOM 394 CB LEU A 28 12.045 8.773 0.063 1.00 0.00 C ATOM 395 CG LEU A 28 11.708 8.531 -1.409 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.240 9.819 -2.068 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.911 7.959 -2.144 1.00 0.00 C ATOM 0 H LEU A 28 14.600 8.720 0.061 1.00 0.00 H new ATOM 0 HA LEU A 28 12.591 10.835 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.527 7.878 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.112 8.901 0.612 1.00 0.00 H new ATOM 0 HG LEU A 28 10.897 7.805 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.005 9.627 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.350 10.186 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.030 10.568 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.653 7.793 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.743 8.661 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.200 7.013 -1.687 1.00 0.00 H new ATOM 409 N GLY A 29 11.674 10.499 2.355 1.00 0.00 N ATOM 410 CA GLY A 29 11.503 10.827 3.758 1.00 0.00 C ATOM 411 C GLY A 29 10.515 9.910 4.452 1.00 0.00 C ATOM 412 O GLY A 29 9.877 10.300 5.430 1.00 0.00 O ATOM 0 H GLY A 29 10.807 10.425 1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.467 10.765 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.162 11.858 3.848 1.00 0.00 H new ATOM 416 N PHE A 30 10.386 8.689 3.944 1.00 0.00 N ATOM 417 CA PHE A 30 9.466 7.715 4.519 1.00 0.00 C ATOM 418 C PHE A 30 10.103 6.329 4.570 1.00 0.00 C ATOM 419 O PHE A 30 11.205 6.122 4.063 1.00 0.00 O ATOM 420 CB PHE A 30 8.170 7.664 3.707 1.00 0.00 C ATOM 421 CG PHE A 30 8.383 7.325 2.259 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.730 8.310 1.348 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.237 6.023 1.809 1.00 0.00 C ATOM 424 CE1 PHE A 30 8.926 8.002 0.015 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.433 5.708 0.478 1.00 0.00 C ATOM 426 CZ PHE A 30 8.778 6.699 -0.420 1.00 0.00 C ATOM 0 H PHE A 30 10.907 8.350 3.135 1.00 0.00 H new ATOM 0 HA PHE A 30 9.236 8.027 5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.502 6.926 4.150 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.669 8.630 3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.849 9.330 1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.967 5.245 2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.194 8.779 -0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.317 4.689 0.140 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.932 6.456 -1.461 1.00 0.00 H new ATOM 436 N SER A 31 9.400 5.384 5.186 1.00 0.00 N ATOM 437 CA SER A 31 9.898 4.019 5.308 1.00 0.00 C ATOM 438 C SER A 31 8.860 3.016 4.814 1.00 0.00 C ATOM 439 O SER A 31 7.731 3.385 4.486 1.00 0.00 O ATOM 440 CB SER A 31 10.265 3.715 6.762 1.00 0.00 C ATOM 441 OG SER A 31 11.606 4.083 7.037 1.00 0.00 O ATOM 0 H SER A 31 8.484 5.538 5.608 1.00 0.00 H new ATOM 0 HA SER A 31 10.790 3.928 4.689 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.593 4.253 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.128 2.652 6.960 1.00 0.00 H new ATOM 0 HG SER A 31 11.816 3.880 7.973 1.00 0.00 H new ATOM 447 N ILE A 32 9.250 1.747 4.764 1.00 0.00 N ATOM 448 CA ILE A 32 8.353 0.690 4.311 1.00 0.00 C ATOM 449 C ILE A 32 8.633 -0.618 5.042 1.00 0.00 C ATOM 450 O ILE A 32 9.731 -0.832 5.557 1.00 0.00 O ATOM 451 CB ILE A 32 8.481 0.456 2.794 1.00 0.00 C ATOM 452 CG1 ILE A 32 9.933 0.637 2.348 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.565 1.403 2.033 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.287 -0.152 1.107 1.00 0.00 C ATOM 0 H ILE A 32 10.180 1.425 5.031 1.00 0.00 H new ATOM 0 HA ILE A 32 7.338 1.018 4.535 1.00 0.00 H new ATOM 0 HB ILE A 32 8.178 -0.567 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.118 1.695 2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.594 0.336 3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.667 1.226 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.532 1.229 2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.840 2.434 2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.331 0.025 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.134 -1.215 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.651 0.165 0.281 1.00 0.00 H new ATOM 466 N LEU A 33 7.633 -1.492 5.081 1.00 0.00 N ATOM 467 CA LEU A 33 7.771 -2.783 5.748 1.00 0.00 C ATOM 468 C LEU A 33 6.990 -3.864 5.008 1.00 0.00 C ATOM 469 O LEU A 33 6.221 -3.571 4.092 1.00 0.00 O ATOM 470 CB LEU A 33 7.285 -2.686 7.195 1.00 0.00 C ATOM 471 CG LEU A 33 5.805 -2.991 7.427 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.520 -3.154 8.912 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.935 -1.893 6.833 1.00 0.00 C ATOM 0 H LEU A 33 6.718 -1.331 4.659 1.00 0.00 H new ATOM 0 HA LEU A 33 8.826 -3.056 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.876 -3.371 7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.489 -1.679 7.559 1.00 0.00 H new ATOM 0 HG LEU A 33 5.564 -3.929 6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.462 -3.371 9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.117 -3.975 9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.777 -2.233 9.435 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.885 -2.127 7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.178 -0.941 7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.118 -1.824 5.761 1.00 0.00 H new ATOM 485 N ASP A 34 7.190 -5.113 5.413 1.00 0.00 N ATOM 486 CA ASP A 34 6.502 -6.238 4.791 1.00 0.00 C ATOM 487 C ASP A 34 5.257 -6.620 5.585 1.00 0.00 C ATOM 488 O ASP A 34 5.307 -6.763 6.807 1.00 0.00 O ATOM 489 CB ASP A 34 7.441 -7.441 4.682 1.00 0.00 C ATOM 490 CG ASP A 34 7.643 -8.140 6.011 1.00 0.00 C ATOM 491 OD1 ASP A 34 7.872 -7.440 7.020 1.00 0.00 O ATOM 492 OD2 ASP A 34 7.575 -9.387 6.043 1.00 0.00 O ATOM 0 H ASP A 34 7.823 -5.372 6.170 1.00 0.00 H new ATOM 0 HA ASP A 34 6.194 -5.935 3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.036 -8.150 3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.406 -7.111 4.298 1.00 0.00 H new ATOM 497 N TYR A 35 4.140 -6.783 4.883 1.00 0.00 N ATOM 498 CA TYR A 35 2.881 -7.144 5.523 1.00 0.00 C ATOM 499 C TYR A 35 2.355 -8.469 4.980 1.00 0.00 C ATOM 500 O TYR A 35 2.730 -8.897 3.889 1.00 0.00 O ATOM 501 CB TYR A 35 1.841 -6.043 5.309 1.00 0.00 C ATOM 502 CG TYR A 35 0.822 -5.948 6.422 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.211 -6.872 6.524 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.891 -4.935 7.370 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.146 -6.789 7.538 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.038 -4.845 8.388 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.054 -5.774 8.468 1.00 0.00 C ATOM 508 OH TYR A 35 -1.983 -5.687 9.480 1.00 0.00 O ATOM 0 H TYR A 35 4.082 -6.671 3.871 1.00 0.00 H new ATOM 0 HA TYR A 35 3.065 -7.257 6.591 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.353 -5.085 5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.322 -6.223 4.367 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.284 -7.669 5.798 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.685 -4.205 7.310 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.944 -7.514 7.602 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.031 -4.051 9.117 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.775 -4.917 10.050 1.00 0.00 H new ATOM 518 N GLN A 36 1.483 -9.112 5.750 1.00 0.00 N ATOM 519 CA GLN A 36 0.905 -10.389 5.347 1.00 0.00 C ATOM 520 C GLN A 36 -0.611 -10.378 5.518 1.00 0.00 C ATOM 521 O GLN A 36 -1.121 -10.103 6.604 1.00 0.00 O ATOM 522 CB GLN A 36 1.514 -11.530 6.164 1.00 0.00 C ATOM 523 CG GLN A 36 2.742 -12.151 5.519 1.00 0.00 C ATOM 524 CD GLN A 36 3.125 -13.476 6.150 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.253 -13.655 6.609 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.185 -14.413 6.175 1.00 0.00 N ATOM 0 H GLN A 36 1.161 -8.770 6.656 1.00 0.00 H new ATOM 0 HA GLN A 36 1.133 -10.545 4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.783 -11.155 7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.760 -12.304 6.311 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.553 -12.300 4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.580 -11.459 5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.263 -14.221 5.783 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.385 -15.325 6.586 1.00 0.00 H new ATOM 535 N ASP A 37 -1.325 -10.677 4.438 1.00 0.00 N ATOM 536 CA ASP A 37 -2.783 -10.702 4.469 1.00 0.00 C ATOM 537 C ASP A 37 -3.287 -11.669 5.535 1.00 0.00 C ATOM 538 O ASP A 37 -2.751 -12.762 5.720 1.00 0.00 O ATOM 539 CB ASP A 37 -3.336 -11.099 3.099 1.00 0.00 C ATOM 540 CG ASP A 37 -4.801 -10.742 2.941 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.656 -11.536 3.387 1.00 0.00 O ATOM 542 OD2 ASP A 37 -5.092 -9.670 2.372 1.00 0.00 O ATOM 0 H ASP A 37 -0.918 -10.905 3.531 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.134 -9.701 4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.758 -10.603 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.209 -12.172 2.956 1.00 0.00 H new ATOM 547 N PRO A 38 -4.343 -11.260 6.254 1.00 0.00 N ATOM 548 CA PRO A 38 -4.942 -12.075 7.315 1.00 0.00 C ATOM 549 C PRO A 38 -5.668 -13.298 6.765 1.00 0.00 C ATOM 550 O PRO A 38 -5.915 -14.264 7.489 1.00 0.00 O ATOM 551 CB PRO A 38 -5.935 -11.118 7.979 1.00 0.00 C ATOM 552 CG PRO A 38 -6.275 -10.128 6.919 1.00 0.00 C ATOM 553 CD PRO A 38 -5.032 -9.969 6.088 1.00 0.00 C ATOM 0 HA PRO A 38 -4.191 -12.473 7.997 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.823 -11.647 8.326 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.494 -10.631 8.849 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.109 -10.478 6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.577 -9.176 7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.270 -9.772 5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.419 -9.138 6.437 1.00 0.00 H new ATOM 561 N LEU A 39 -6.007 -13.252 5.482 1.00 0.00 N ATOM 562 CA LEU A 39 -6.704 -14.358 4.834 1.00 0.00 C ATOM 563 C LEU A 39 -5.747 -15.174 3.971 1.00 0.00 C ATOM 564 O LEU A 39 -5.922 -16.382 3.806 1.00 0.00 O ATOM 565 CB LEU A 39 -7.856 -13.829 3.978 1.00 0.00 C ATOM 566 CG LEU A 39 -8.652 -12.665 4.569 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.518 -12.013 3.502 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.507 -13.141 5.735 1.00 0.00 C ATOM 0 H LEU A 39 -5.811 -12.461 4.869 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.106 -15.007 5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.452 -13.515 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.544 -14.651 3.782 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.948 -11.921 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.077 -11.187 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.884 -11.636 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.214 -12.748 3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.067 -12.299 6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.203 -13.905 5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.865 -13.560 6.510 1.00 0.00 H new ATOM 580 N ASP A 40 -4.736 -14.508 3.425 1.00 0.00 N ATOM 581 CA ASP A 40 -3.749 -15.173 2.582 1.00 0.00 C ATOM 582 C ASP A 40 -2.340 -14.964 3.128 1.00 0.00 C ATOM 583 O ASP A 40 -1.695 -13.947 2.876 1.00 0.00 O ATOM 584 CB ASP A 40 -3.837 -14.649 1.148 1.00 0.00 C ATOM 585 CG ASP A 40 -3.351 -15.662 0.130 1.00 0.00 C ATOM 586 OD1 ASP A 40 -2.507 -16.508 0.492 1.00 0.00 O ATOM 587 OD2 ASP A 40 -3.816 -15.610 -1.028 1.00 0.00 O ATOM 0 H ASP A 40 -4.578 -13.508 3.551 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.965 -16.241 2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.870 -14.381 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.245 -13.738 1.060 1.00 0.00 H new ATOM 592 N PRO A 41 -1.850 -15.951 3.894 1.00 0.00 N ATOM 593 CA PRO A 41 -0.513 -15.898 4.492 1.00 0.00 C ATOM 594 C PRO A 41 0.593 -16.026 3.450 1.00 0.00 C ATOM 595 O PRO A 41 1.705 -15.534 3.645 1.00 0.00 O ATOM 596 CB PRO A 41 -0.499 -17.103 5.436 1.00 0.00 C ATOM 597 CG PRO A 41 -1.496 -18.048 4.859 1.00 0.00 C ATOM 598 CD PRO A 41 -2.564 -17.192 4.235 1.00 0.00 C ATOM 0 HA PRO A 41 -0.326 -14.946 4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.492 -17.555 5.486 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.769 -16.814 6.451 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.033 -18.698 4.116 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.915 -18.693 5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.993 -17.665 3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.385 -17.006 4.927 1.00 0.00 H new ATOM 606 N THR A 42 0.282 -16.689 2.340 1.00 0.00 N ATOM 607 CA THR A 42 1.249 -16.881 1.267 1.00 0.00 C ATOM 608 C THR A 42 1.378 -15.626 0.411 1.00 0.00 C ATOM 609 O THR A 42 2.065 -15.628 -0.610 1.00 0.00 O ATOM 610 CB THR A 42 0.859 -18.067 0.365 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.423 -17.831 -0.227 1.00 0.00 O ATOM 612 CG2 THR A 42 0.825 -19.363 1.160 1.00 0.00 C ATOM 0 H THR A 42 -0.633 -17.102 2.161 1.00 0.00 H new ATOM 0 HA THR A 42 2.208 -17.094 1.740 1.00 0.00 H new ATOM 0 HB THR A 42 1.610 -18.160 -0.420 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.830 -17.038 0.179 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.547 -20.186 0.502 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.810 -19.555 1.585 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.093 -19.278 1.963 1.00 0.00 H new ATOM 620 N ARG A 43 0.713 -14.556 0.834 1.00 0.00 N ATOM 621 CA ARG A 43 0.753 -13.294 0.105 1.00 0.00 C ATOM 622 C ARG A 43 1.218 -12.158 1.011 1.00 0.00 C ATOM 623 O ARG A 43 0.717 -11.992 2.123 1.00 0.00 O ATOM 624 CB ARG A 43 -0.627 -12.970 -0.471 1.00 0.00 C ATOM 625 CG ARG A 43 -0.865 -13.559 -1.851 1.00 0.00 C ATOM 626 CD ARG A 43 -1.912 -12.770 -2.621 1.00 0.00 C ATOM 627 NE ARG A 43 -2.458 -13.533 -3.740 1.00 0.00 N ATOM 628 CZ ARG A 43 -3.262 -13.013 -4.661 1.00 0.00 C ATOM 629 NH1 ARG A 43 -3.611 -11.736 -4.596 1.00 0.00 N ATOM 630 NH2 ARG A 43 -3.719 -13.771 -5.650 1.00 0.00 N ATOM 0 H ARG A 43 0.140 -14.538 1.678 1.00 0.00 H new ATOM 0 HA ARG A 43 1.465 -13.398 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.392 -13.342 0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.745 -11.888 -0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.070 -13.567 -2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.187 -14.596 -1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.720 -12.486 -1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.469 -11.847 -2.994 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.209 -14.519 -3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.262 -11.150 -3.838 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.228 -11.339 -5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.453 -14.754 -5.704 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.336 -13.370 -6.356 1.00 0.00 H new ATOM 644 N SER A 44 2.180 -11.378 0.527 1.00 0.00 N ATOM 645 CA SER A 44 2.716 -10.260 1.294 1.00 0.00 C ATOM 646 C SER A 44 2.613 -8.960 0.503 1.00 0.00 C ATOM 647 O SER A 44 2.566 -8.970 -0.727 1.00 0.00 O ATOM 648 CB SER A 44 4.175 -10.526 1.672 1.00 0.00 C ATOM 649 OG SER A 44 4.873 -11.147 0.607 1.00 0.00 O ATOM 0 H SER A 44 2.604 -11.500 -0.393 1.00 0.00 H new ATOM 0 HA SER A 44 2.125 -10.159 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.663 -9.587 1.932 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.215 -11.162 2.556 1.00 0.00 H new ATOM 0 HG SER A 44 5.803 -11.305 0.873 1.00 0.00 H new ATOM 655 N VAL A 45 2.580 -7.840 1.219 1.00 0.00 N ATOM 656 CA VAL A 45 2.484 -6.530 0.586 1.00 0.00 C ATOM 657 C VAL A 45 3.287 -5.488 1.355 1.00 0.00 C ATOM 658 O VAL A 45 3.481 -5.607 2.565 1.00 0.00 O ATOM 659 CB VAL A 45 1.020 -6.062 0.484 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.168 -7.118 -0.204 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.468 -5.735 1.863 1.00 0.00 C ATOM 0 H VAL A 45 2.618 -7.814 2.238 1.00 0.00 H new ATOM 0 HA VAL A 45 2.896 -6.633 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 45 0.988 -5.155 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.863 -6.770 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.552 -7.298 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.204 -8.044 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.567 -5.406 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.512 -6.624 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.063 -4.941 2.314 1.00 0.00 H new ATOM 671 N ILE A 46 3.752 -4.465 0.645 1.00 0.00 N ATOM 672 CA ILE A 46 4.533 -3.400 1.262 1.00 0.00 C ATOM 673 C ILE A 46 3.634 -2.266 1.741 1.00 0.00 C ATOM 674 O ILE A 46 2.776 -1.784 1.001 1.00 0.00 O ATOM 675 CB ILE A 46 5.580 -2.832 0.285 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.565 -3.926 -0.133 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.317 -1.663 0.920 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.467 -4.389 0.989 1.00 0.00 C ATOM 0 H ILE A 46 3.601 -4.351 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 46 5.046 -3.840 2.117 1.00 0.00 H new ATOM 0 HB ILE A 46 5.066 -2.471 -0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.006 -4.780 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.180 -3.556 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.053 -1.272 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.605 -0.878 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.822 -2.000 1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.138 -5.165 0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.053 -3.546 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.861 -4.790 1.801 1.00 0.00 H new ATOM 690 N VAL A 47 3.837 -1.842 2.985 1.00 0.00 N ATOM 691 CA VAL A 47 3.047 -0.762 3.563 1.00 0.00 C ATOM 692 C VAL A 47 3.926 0.430 3.924 1.00 0.00 C ATOM 693 O VAL A 47 5.152 0.322 3.955 1.00 0.00 O ATOM 694 CB VAL A 47 2.293 -1.230 4.822 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.973 -0.487 4.962 1.00 0.00 C ATOM 696 CG2 VAL A 47 2.066 -2.734 4.779 1.00 0.00 C ATOM 0 H VAL A 47 4.542 -2.230 3.611 1.00 0.00 H new ATOM 0 HA VAL A 47 2.323 -0.460 2.806 1.00 0.00 H new ATOM 0 HB VAL A 47 2.904 -1.003 5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.455 -0.831 5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.165 0.583 5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.352 -0.680 4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.532 -3.047 5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.476 -2.988 3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.027 -3.246 4.732 1.00 0.00 H new ATOM 706 N ILE A 48 3.292 1.565 4.196 1.00 0.00 N ATOM 707 CA ILE A 48 4.017 2.777 4.557 1.00 0.00 C ATOM 708 C ILE A 48 4.368 2.786 6.041 1.00 0.00 C ATOM 709 O ILE A 48 3.586 3.248 6.872 1.00 0.00 O ATOM 710 CB ILE A 48 3.200 4.041 4.226 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.838 4.066 2.740 1.00 0.00 C ATOM 712 CG2 ILE A 48 3.980 5.290 4.608 1.00 0.00 C ATOM 713 CD1 ILE A 48 4.038 4.190 1.827 1.00 0.00 C ATOM 0 H ILE A 48 2.278 1.671 4.173 1.00 0.00 H new ATOM 0 HA ILE A 48 4.935 2.783 3.969 1.00 0.00 H new ATOM 0 HB ILE A 48 2.277 4.021 4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.295 3.154 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.162 4.900 2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.390 6.175 4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.192 5.274 5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.918 5.318 4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.706 4.201 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.569 5.116 2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.705 3.342 1.985 1.00 0.00 H new ATOM 725 N ARG A 49 5.551 2.275 6.366 1.00 0.00 N ATOM 726 CA ARG A 49 6.008 2.225 7.750 1.00 0.00 C ATOM 727 C ARG A 49 5.660 3.517 8.484 1.00 0.00 C ATOM 728 O ARG A 49 4.881 3.511 9.436 1.00 0.00 O ATOM 729 CB ARG A 49 7.518 1.986 7.803 1.00 0.00 C ATOM 730 CG ARG A 49 8.075 1.925 9.215 1.00 0.00 C ATOM 731 CD ARG A 49 7.810 0.574 9.861 1.00 0.00 C ATOM 732 NE ARG A 49 8.549 0.410 11.110 1.00 0.00 N ATOM 733 CZ ARG A 49 9.869 0.273 11.170 1.00 0.00 C ATOM 734 NH1 ARG A 49 10.591 0.282 10.058 1.00 0.00 N ATOM 735 NH2 ARG A 49 10.469 0.128 12.345 1.00 0.00 N ATOM 0 H ARG A 49 6.210 1.890 5.690 1.00 0.00 H new ATOM 0 HA ARG A 49 5.499 1.398 8.245 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.748 1.052 7.290 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.023 2.782 7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.148 2.114 9.192 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.625 2.713 9.819 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.743 0.468 10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.089 -0.220 9.168 1.00 0.00 H new ATOM 0 HE ARG A 49 8.023 0.400 11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.133 0.394 9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.604 0.177 10.107 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.917 0.122 13.202 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.483 0.023 12.391 1.00 0.00 H new ATOM 749 N SER A 50 6.245 4.623 8.034 1.00 0.00 N ATOM 750 CA SER A 50 6.000 5.922 8.650 1.00 0.00 C ATOM 751 C SER A 50 6.638 7.040 7.831 1.00 0.00 C ATOM 752 O SER A 50 7.564 6.806 7.054 1.00 0.00 O ATOM 753 CB SER A 50 6.549 5.943 10.078 1.00 0.00 C ATOM 754 OG SER A 50 5.797 6.819 10.900 1.00 0.00 O ATOM 0 H SER A 50 6.892 4.645 7.245 1.00 0.00 H new ATOM 0 HA SER A 50 4.923 6.086 8.680 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.524 4.936 10.495 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.593 6.257 10.065 1.00 0.00 H new ATOM 0 HG SER A 50 6.166 6.814 11.808 1.00 0.00 H new ATOM 760 N LEU A 51 6.136 8.257 8.012 1.00 0.00 N ATOM 761 CA LEU A 51 6.655 9.414 7.290 1.00 0.00 C ATOM 762 C LEU A 51 7.579 10.240 8.179 1.00 0.00 C ATOM 763 O LEU A 51 7.146 10.813 9.180 1.00 0.00 O ATOM 764 CB LEU A 51 5.503 10.283 6.785 1.00 0.00 C ATOM 765 CG LEU A 51 4.237 9.539 6.357 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.140 10.523 5.981 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.537 8.602 5.196 1.00 0.00 C ATOM 0 H LEU A 51 5.371 8.468 8.652 1.00 0.00 H new ATOM 0 HA LEU A 51 7.229 9.052 6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.237 10.990 7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.860 10.868 5.938 1.00 0.00 H new ATOM 0 HG LEU A 51 3.887 8.942 7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.247 9.975 5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.906 11.153 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.479 11.147 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.625 8.081 4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.912 9.179 4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.289 7.874 5.501 1.00 0.00 H new ATOM 779 N VAL A 52 8.853 10.299 7.806 1.00 0.00 N ATOM 780 CA VAL A 52 9.838 11.058 8.568 1.00 0.00 C ATOM 781 C VAL A 52 9.382 12.498 8.774 1.00 0.00 C ATOM 782 O VAL A 52 8.783 13.103 7.885 1.00 0.00 O ATOM 783 CB VAL A 52 11.210 11.060 7.866 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.192 11.947 8.617 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.746 9.642 7.742 1.00 0.00 C ATOM 0 H VAL A 52 9.228 9.831 6.981 1.00 0.00 H new ATOM 0 HA VAL A 52 9.935 10.569 9.537 1.00 0.00 H new ATOM 0 HB VAL A 52 11.086 11.466 6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.155 11.936 8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.810 12.967 8.649 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.315 11.574 9.634 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.715 9.662 7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.857 9.207 8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.050 9.040 7.158 1.00 0.00 H new ATOM 795 N ALA A 53 9.671 13.042 9.952 1.00 0.00 N ATOM 796 CA ALA A 53 9.293 14.412 10.274 1.00 0.00 C ATOM 797 C ALA A 53 9.681 15.367 9.150 1.00 0.00 C ATOM 798 O ALA A 53 10.863 15.556 8.863 1.00 0.00 O ATOM 799 CB ALA A 53 9.939 14.844 11.582 1.00 0.00 C ATOM 0 H ALA A 53 10.166 12.554 10.699 1.00 0.00 H new ATOM 0 HA ALA A 53 8.209 14.447 10.387 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.648 15.869 11.810 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.609 14.186 12.386 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.023 14.787 11.488 1.00 0.00 H new ATOM 805 N ASP A 54 8.678 15.966 8.517 1.00 0.00 N ATOM 806 CA ASP A 54 8.914 16.902 7.424 1.00 0.00 C ATOM 807 C ASP A 54 9.641 16.218 6.270 1.00 0.00 C ATOM 808 O ASP A 54 10.436 16.841 5.568 1.00 0.00 O ATOM 809 CB ASP A 54 9.727 18.100 7.917 1.00 0.00 C ATOM 810 CG ASP A 54 9.440 19.360 7.125 1.00 0.00 C ATOM 811 OD1 ASP A 54 8.989 19.242 5.966 1.00 0.00 O ATOM 812 OD2 ASP A 54 9.666 20.464 7.663 1.00 0.00 O ATOM 0 H ASP A 54 7.694 15.820 8.742 1.00 0.00 H new ATOM 0 HA ASP A 54 7.947 17.253 7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.505 18.277 8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.790 17.866 7.850 1.00 0.00 H new ATOM 817 N GLY A 55 9.362 14.932 6.081 1.00 0.00 N ATOM 818 CA GLY A 55 9.998 14.184 5.012 1.00 0.00 C ATOM 819 C GLY A 55 9.276 14.337 3.688 1.00 0.00 C ATOM 820 O GLY A 55 8.082 14.633 3.654 1.00 0.00 O ATOM 0 H GLY A 55 8.707 14.395 6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.029 14.520 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.034 13.129 5.283 1.00 0.00 H new ATOM 824 N VAL A 56 10.003 14.138 2.593 1.00 0.00 N ATOM 825 CA VAL A 56 9.425 14.256 1.260 1.00 0.00 C ATOM 826 C VAL A 56 7.985 13.757 1.239 1.00 0.00 C ATOM 827 O VAL A 56 7.114 14.368 0.620 1.00 0.00 O ATOM 828 CB VAL A 56 10.245 13.469 0.220 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.566 13.512 -1.140 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.662 14.016 0.136 1.00 0.00 C ATOM 0 H VAL A 56 10.993 13.894 2.603 1.00 0.00 H new ATOM 0 HA VAL A 56 9.443 15.314 1.000 1.00 0.00 H new ATOM 0 HB VAL A 56 10.300 12.428 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.160 12.951 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.573 13.069 -1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.478 14.547 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.228 13.449 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.630 15.065 -0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.145 13.927 1.109 1.00 0.00 H new ATOM 840 N ALA A 57 7.741 12.641 1.919 1.00 0.00 N ATOM 841 CA ALA A 57 6.406 12.060 1.981 1.00 0.00 C ATOM 842 C ALA A 57 5.407 13.042 2.585 1.00 0.00 C ATOM 843 O ALA A 57 4.413 13.396 1.953 1.00 0.00 O ATOM 844 CB ALA A 57 6.429 10.768 2.784 1.00 0.00 C ATOM 0 H ALA A 57 8.451 12.121 2.435 1.00 0.00 H new ATOM 0 HA ALA A 57 6.087 11.837 0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.425 10.345 2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.105 10.057 2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.774 10.975 3.797 1.00 0.00 H new ATOM 850 N GLU A 58 5.680 13.478 3.811 1.00 0.00 N ATOM 851 CA GLU A 58 4.803 14.418 4.499 1.00 0.00 C ATOM 852 C GLU A 58 4.685 15.723 3.718 1.00 0.00 C ATOM 853 O GLU A 58 3.583 16.217 3.477 1.00 0.00 O ATOM 854 CB GLU A 58 5.327 14.700 5.909 1.00 0.00 C ATOM 855 CG GLU A 58 4.239 15.082 6.898 1.00 0.00 C ATOM 856 CD GLU A 58 4.793 15.717 8.158 1.00 0.00 C ATOM 857 OE1 GLU A 58 5.574 15.046 8.866 1.00 0.00 O ATOM 858 OE2 GLU A 58 4.447 16.883 8.438 1.00 0.00 O ATOM 0 H GLU A 58 6.500 13.196 4.347 1.00 0.00 H new ATOM 0 HA GLU A 58 3.813 13.967 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.847 13.816 6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.061 15.504 5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.546 15.775 6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.667 14.193 7.165 1.00 0.00 H new ATOM 865 N ARG A 59 5.827 16.277 3.325 1.00 0.00 N ATOM 866 CA ARG A 59 5.853 17.525 2.573 1.00 0.00 C ATOM 867 C ARG A 59 4.788 17.523 1.480 1.00 0.00 C ATOM 868 O ARG A 59 3.903 18.379 1.459 1.00 0.00 O ATOM 869 CB ARG A 59 7.234 17.744 1.953 1.00 0.00 C ATOM 870 CG ARG A 59 8.364 17.743 2.969 1.00 0.00 C ATOM 871 CD ARG A 59 9.510 18.641 2.530 1.00 0.00 C ATOM 872 NE ARG A 59 10.386 17.979 1.566 1.00 0.00 N ATOM 873 CZ ARG A 59 11.604 18.414 1.261 1.00 0.00 C ATOM 874 NH1 ARG A 59 12.087 19.503 1.841 1.00 0.00 N ATOM 875 NH2 ARG A 59 12.340 17.757 0.374 1.00 0.00 N ATOM 0 H ARG A 59 6.747 15.881 3.515 1.00 0.00 H new ATOM 0 HA ARG A 59 5.639 18.340 3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.420 16.964 1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.237 18.695 1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.987 18.079 3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.730 16.726 3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.107 19.552 2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.091 18.940 3.402 1.00 0.00 H new ATOM 0 HE ARG A 59 10.044 17.137 1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.524 20.010 2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.022 19.834 1.605 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.971 16.918 -0.074 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.275 18.091 0.140 1.00 0.00 H new ATOM 889 N SER A 60 4.880 16.556 0.573 1.00 0.00 N ATOM 890 CA SER A 60 3.928 16.445 -0.526 1.00 0.00 C ATOM 891 C SER A 60 2.494 16.439 -0.004 1.00 0.00 C ATOM 892 O SER A 60 1.643 17.184 -0.486 1.00 0.00 O ATOM 893 CB SER A 60 4.194 15.173 -1.333 1.00 0.00 C ATOM 894 OG SER A 60 3.508 14.064 -0.778 1.00 0.00 O ATOM 0 H SER A 60 5.604 15.838 0.577 1.00 0.00 H new ATOM 0 HA SER A 60 4.057 17.312 -1.174 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.877 15.321 -2.365 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.265 14.969 -1.354 1.00 0.00 H new ATOM 0 HG SER A 60 3.902 13.837 0.090 1.00 0.00 H new ATOM 900 N GLY A 61 2.236 15.590 0.987 1.00 0.00 N ATOM 901 CA GLY A 61 0.905 15.501 1.559 1.00 0.00 C ATOM 902 C GLY A 61 0.028 14.499 0.835 1.00 0.00 C ATOM 903 O GLY A 61 -1.149 14.758 0.587 1.00 0.00 O ATOM 0 H GLY A 61 2.924 14.963 1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.982 15.219 2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.433 16.483 1.526 1.00 0.00 H new ATOM 907 N GLY A 62 0.603 13.350 0.494 1.00 0.00 N ATOM 908 CA GLY A 62 -0.148 12.323 -0.205 1.00 0.00 C ATOM 909 C GLY A 62 0.030 10.951 0.415 1.00 0.00 C ATOM 910 O GLY A 62 -0.863 10.107 0.340 1.00 0.00 O ATOM 0 H GLY A 62 1.575 13.112 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.206 12.585 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.169 12.291 -1.247 1.00 0.00 H new ATOM 914 N LEU A 63 1.188 10.727 1.027 1.00 0.00 N ATOM 915 CA LEU A 63 1.482 9.446 1.661 1.00 0.00 C ATOM 916 C LEU A 63 1.036 9.445 3.119 1.00 0.00 C ATOM 917 O LEU A 63 0.899 10.502 3.738 1.00 0.00 O ATOM 918 CB LEU A 63 2.979 9.143 1.573 1.00 0.00 C ATOM 919 CG LEU A 63 3.443 8.414 0.312 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.412 9.348 -0.887 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.840 7.843 0.510 1.00 0.00 C ATOM 0 H LEU A 63 1.938 11.415 1.098 1.00 0.00 H new ATOM 0 HA LEU A 63 0.929 8.671 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.525 10.084 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.260 8.544 2.439 1.00 0.00 H new ATOM 0 HG LEU A 63 2.758 7.588 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.746 8.811 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.395 9.708 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.073 10.195 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.154 7.327 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.537 8.653 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.831 7.139 1.342 1.00 0.00 H new ATOM 933 N LEU A 64 0.814 8.254 3.664 1.00 0.00 N ATOM 934 CA LEU A 64 0.385 8.116 5.052 1.00 0.00 C ATOM 935 C LEU A 64 0.798 6.760 5.615 1.00 0.00 C ATOM 936 O LEU A 64 0.870 5.759 4.902 1.00 0.00 O ATOM 937 CB LEU A 64 -1.131 8.285 5.157 1.00 0.00 C ATOM 938 CG LEU A 64 -1.663 9.706 4.966 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.181 9.723 5.046 1.00 0.00 C ATOM 940 CD2 LEU A 64 -1.062 10.645 6.002 1.00 0.00 C ATOM 0 H LEU A 64 0.924 7.370 3.167 1.00 0.00 H new ATOM 0 HA LEU A 64 0.872 8.896 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.601 7.640 4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.449 7.928 6.136 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.368 10.053 3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.541 10.742 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.594 9.083 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.498 9.355 6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.452 11.651 5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.326 10.300 7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.023 10.657 5.897 1.00 0.00 H new ATOM 952 N PRO A 65 1.072 6.723 6.928 1.00 0.00 N ATOM 953 CA PRO A 65 1.479 5.495 7.618 1.00 0.00 C ATOM 954 C PRO A 65 0.339 4.488 7.728 1.00 0.00 C ATOM 955 O PRO A 65 -0.663 4.740 8.395 1.00 0.00 O ATOM 956 CB PRO A 65 1.893 5.988 9.006 1.00 0.00 C ATOM 957 CG PRO A 65 1.129 7.253 9.202 1.00 0.00 C ATOM 958 CD PRO A 65 1.006 7.877 7.840 1.00 0.00 C ATOM 0 HA PRO A 65 2.271 4.971 7.084 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.650 5.255 9.775 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.968 6.162 9.060 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.147 7.053 9.630 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.648 7.919 9.891 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.068 8.422 7.731 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.811 8.587 7.649 1.00 0.00 H new ATOM 966 N GLY A 66 0.500 3.344 7.069 1.00 0.00 N ATOM 967 CA GLY A 66 -0.523 2.315 7.107 1.00 0.00 C ATOM 968 C GLY A 66 -1.058 1.979 5.729 1.00 0.00 C ATOM 969 O GLY A 66 -1.692 0.941 5.538 1.00 0.00 O ATOM 0 H GLY A 66 1.321 3.112 6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.112 1.415 7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.345 2.647 7.742 1.00 0.00 H new ATOM 973 N ASP A 67 -0.805 2.860 4.767 1.00 0.00 N ATOM 974 CA ASP A 67 -1.267 2.652 3.400 1.00 0.00 C ATOM 975 C ASP A 67 -0.380 1.646 2.674 1.00 0.00 C ATOM 976 O ASP A 67 0.822 1.565 2.929 1.00 0.00 O ATOM 977 CB ASP A 67 -1.285 3.978 2.638 1.00 0.00 C ATOM 978 CG ASP A 67 -2.120 5.035 3.334 1.00 0.00 C ATOM 979 OD1 ASP A 67 -1.858 5.309 4.524 1.00 0.00 O ATOM 980 OD2 ASP A 67 -3.035 5.588 2.689 1.00 0.00 O ATOM 0 H ASP A 67 -0.283 3.725 4.909 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.280 2.252 3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.264 4.342 2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.677 3.812 1.635 1.00 0.00 H new ATOM 985 N ARG A 68 -0.980 0.880 1.769 1.00 0.00 N ATOM 986 CA ARG A 68 -0.245 -0.123 1.008 1.00 0.00 C ATOM 987 C ARG A 68 0.356 0.486 -0.256 1.00 0.00 C ATOM 988 O ARG A 68 -0.363 1.009 -1.108 1.00 0.00 O ATOM 989 CB ARG A 68 -1.164 -1.288 0.637 1.00 0.00 C ATOM 990 CG ARG A 68 -0.481 -2.363 -0.192 1.00 0.00 C ATOM 991 CD ARG A 68 -0.602 -2.079 -1.681 1.00 0.00 C ATOM 992 NE ARG A 68 -0.100 -3.185 -2.492 1.00 0.00 N ATOM 993 CZ ARG A 68 -0.784 -4.301 -2.717 1.00 0.00 C ATOM 994 NH1 ARG A 68 -1.992 -4.459 -2.194 1.00 0.00 N ATOM 995 NH2 ARG A 68 -0.260 -5.263 -3.466 1.00 0.00 N ATOM 0 H ARG A 68 -1.974 0.935 1.545 1.00 0.00 H new ATOM 0 HA ARG A 68 0.566 -0.494 1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.553 -1.738 1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.019 -0.902 0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.572 -2.423 0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.925 -3.333 0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.646 -1.891 -1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.049 -1.172 -1.923 1.00 0.00 H new ATOM 0 HE ARG A 68 0.827 -3.095 -2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.398 -3.722 -1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.515 -5.317 -2.368 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.669 -5.146 -3.870 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.787 -6.120 -3.638 1.00 0.00 H new ATOM 1009 N LEU A 69 1.677 0.416 -0.369 1.00 0.00 N ATOM 1010 CA LEU A 69 2.376 0.961 -1.529 1.00 0.00 C ATOM 1011 C LEU A 69 2.279 0.011 -2.719 1.00 0.00 C ATOM 1012 O LEU A 69 2.554 -1.182 -2.598 1.00 0.00 O ATOM 1013 CB LEU A 69 3.844 1.221 -1.188 1.00 0.00 C ATOM 1014 CG LEU A 69 4.802 1.316 -2.376 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.455 2.512 -3.248 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.243 1.406 -1.893 1.00 0.00 C ATOM 0 H LEU A 69 2.287 -0.012 0.328 1.00 0.00 H new ATOM 0 HA LEU A 69 1.900 1.903 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.906 2.150 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.190 0.424 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 69 4.696 0.412 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.148 2.563 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.437 2.406 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.531 3.426 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.911 1.473 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.363 2.292 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.488 0.517 -1.311 1.00 0.00 H new ATOM 1028 N VAL A 70 1.887 0.551 -3.869 1.00 0.00 N ATOM 1029 CA VAL A 70 1.757 -0.247 -5.082 1.00 0.00 C ATOM 1030 C VAL A 70 3.095 -0.375 -5.802 1.00 0.00 C ATOM 1031 O VAL A 70 3.617 -1.476 -5.973 1.00 0.00 O ATOM 1032 CB VAL A 70 0.724 0.363 -6.047 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.553 -0.518 -7.275 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.607 0.570 -5.340 1.00 0.00 C ATOM 0 H VAL A 70 1.654 1.537 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 70 1.417 -1.236 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 70 1.091 1.335 -6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.181 -0.070 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.508 -0.610 -7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.209 -1.506 -6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.326 1.002 -6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.981 -0.389 -4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.469 1.245 -4.496 1.00 0.00 H new ATOM 1044 N SER A 71 3.645 0.760 -6.222 1.00 0.00 N ATOM 1045 CA SER A 71 4.922 0.775 -6.927 1.00 0.00 C ATOM 1046 C SER A 71 5.632 2.112 -6.735 1.00 0.00 C ATOM 1047 O SER A 71 5.029 3.091 -6.297 1.00 0.00 O ATOM 1048 CB SER A 71 4.708 0.509 -8.419 1.00 0.00 C ATOM 1049 OG SER A 71 3.464 1.028 -8.856 1.00 0.00 O ATOM 0 H SER A 71 3.227 1.680 -6.087 1.00 0.00 H new ATOM 0 HA SER A 71 5.549 -0.014 -6.510 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.516 0.963 -8.992 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.745 -0.564 -8.609 1.00 0.00 H new ATOM 0 HG SER A 71 3.352 0.847 -9.813 1.00 0.00 H new ATOM 1055 N VAL A 72 6.920 2.143 -7.065 1.00 0.00 N ATOM 1056 CA VAL A 72 7.714 3.358 -6.930 1.00 0.00 C ATOM 1057 C VAL A 72 8.485 3.656 -8.211 1.00 0.00 C ATOM 1058 O VAL A 72 9.439 2.956 -8.551 1.00 0.00 O ATOM 1059 CB VAL A 72 8.709 3.251 -5.759 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.558 4.509 -5.663 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.969 2.996 -4.454 1.00 0.00 C ATOM 0 H VAL A 72 7.435 1.341 -7.428 1.00 0.00 H new ATOM 0 HA VAL A 72 7.016 4.171 -6.731 1.00 0.00 H new ATOM 0 HB VAL A 72 9.373 2.407 -5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.255 4.415 -4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.116 4.643 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.912 5.372 -5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.687 2.923 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.280 3.818 -4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.409 2.064 -4.529 1.00 0.00 H new ATOM 1071 N ASN A 73 8.065 4.699 -8.919 1.00 0.00 N ATOM 1072 CA ASN A 73 8.716 5.090 -10.164 1.00 0.00 C ATOM 1073 C ASN A 73 8.602 3.984 -11.209 1.00 0.00 C ATOM 1074 O ASN A 73 9.566 3.676 -11.908 1.00 0.00 O ATOM 1075 CB ASN A 73 10.189 5.419 -9.912 1.00 0.00 C ATOM 1076 CG ASN A 73 10.392 6.850 -9.452 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.457 7.502 -8.987 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.617 7.345 -9.581 1.00 0.00 N ATOM 0 H ASN A 73 7.277 5.289 -8.652 1.00 0.00 H new ATOM 0 HA ASN A 73 8.212 5.978 -10.545 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.587 4.738 -9.159 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.758 5.250 -10.826 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.814 8.302 -9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.362 6.768 -9.972 1.00 0.00 H new ATOM 1085 N GLU A 74 7.416 3.391 -11.308 1.00 0.00 N ATOM 1086 CA GLU A 74 7.177 2.319 -12.267 1.00 0.00 C ATOM 1087 C GLU A 74 7.921 1.050 -11.861 1.00 0.00 C ATOM 1088 O GLU A 74 8.641 0.456 -12.665 1.00 0.00 O ATOM 1089 CB GLU A 74 7.611 2.752 -13.668 1.00 0.00 C ATOM 1090 CG GLU A 74 6.961 1.949 -14.782 1.00 0.00 C ATOM 1091 CD GLU A 74 6.921 2.701 -16.098 1.00 0.00 C ATOM 1092 OE1 GLU A 74 8.000 2.937 -16.680 1.00 0.00 O ATOM 1093 OE2 GLU A 74 5.810 3.055 -16.545 1.00 0.00 O ATOM 0 H GLU A 74 6.607 3.635 -10.737 1.00 0.00 H new ATOM 0 HA GLU A 74 6.108 2.106 -12.276 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.371 3.806 -13.804 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.694 2.659 -13.749 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.507 1.016 -14.918 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.945 1.684 -14.488 1.00 0.00 H new ATOM 1100 N TYR A 75 7.743 0.641 -10.610 1.00 0.00 N ATOM 1101 CA TYR A 75 8.400 -0.555 -10.096 1.00 0.00 C ATOM 1102 C TYR A 75 7.409 -1.441 -9.347 1.00 0.00 C ATOM 1103 O TYR A 75 6.989 -1.118 -8.235 1.00 0.00 O ATOM 1104 CB TYR A 75 9.557 -0.171 -9.173 1.00 0.00 C ATOM 1105 CG TYR A 75 10.874 0.005 -9.895 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.208 1.217 -10.487 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.786 -1.040 -9.982 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.410 1.382 -11.148 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.991 -0.883 -10.640 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.298 0.329 -11.221 1.00 0.00 C ATOM 1111 OH TYR A 75 14.497 0.490 -11.877 1.00 0.00 O ATOM 0 H TYR A 75 7.149 1.120 -9.933 1.00 0.00 H new ATOM 0 HA TYR A 75 8.793 -1.116 -10.944 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.308 0.757 -8.658 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.671 -0.939 -8.408 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.516 2.044 -10.429 1.00 0.00 H new ATOM 0 HD2 TYR A 75 11.549 -1.991 -9.528 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.653 2.330 -11.605 1.00 0.00 H new ATOM 0 HE2 TYR A 75 13.689 -1.705 -10.699 1.00 0.00 H new ATOM 0 HH TYR A 75 15.007 -0.346 -11.836 1.00 0.00 H new ATOM 1121 N CYS A 76 7.041 -2.559 -9.963 1.00 0.00 N ATOM 1122 CA CYS A 76 6.100 -3.493 -9.355 1.00 0.00 C ATOM 1123 C CYS A 76 6.616 -3.985 -8.008 1.00 0.00 C ATOM 1124 O CYS A 76 7.507 -4.834 -7.944 1.00 0.00 O ATOM 1125 CB CYS A 76 5.855 -4.681 -10.287 1.00 0.00 C ATOM 1126 SG CYS A 76 5.292 -4.217 -11.942 1.00 0.00 S ATOM 0 H CYS A 76 7.380 -2.841 -10.883 1.00 0.00 H new ATOM 0 HA CYS A 76 5.159 -2.968 -9.192 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.777 -5.255 -10.376 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.113 -5.338 -9.833 1.00 0.00 H new ATOM 0 HG CYS A 76 5.115 -5.289 -12.656 1.00 0.00 H new ATOM 1132 N LEU A 77 6.053 -3.447 -6.931 1.00 0.00 N ATOM 1133 CA LEU A 77 6.458 -3.831 -5.583 1.00 0.00 C ATOM 1134 C LEU A 77 5.492 -4.855 -4.996 1.00 0.00 C ATOM 1135 O LEU A 77 5.467 -5.076 -3.785 1.00 0.00 O ATOM 1136 CB LEU A 77 6.524 -2.599 -4.679 1.00 0.00 C ATOM 1137 CG LEU A 77 7.511 -1.510 -5.100 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.541 -0.390 -4.072 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.902 -2.096 -5.293 1.00 0.00 C ATOM 0 H LEU A 77 5.315 -2.744 -6.965 1.00 0.00 H new ATOM 0 HA LEU A 77 7.448 -4.284 -5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.528 -2.158 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.782 -2.926 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 77 7.179 -1.094 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.249 0.376 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.547 0.049 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.848 -0.791 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.591 -1.306 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.243 -2.540 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.870 -2.862 -6.067 1.00 0.00 H new ATOM 1151 N ASP A 78 4.701 -5.479 -5.862 1.00 0.00 N ATOM 1152 CA ASP A 78 3.736 -6.484 -5.429 1.00 0.00 C ATOM 1153 C ASP A 78 4.445 -7.720 -4.886 1.00 0.00 C ATOM 1154 O ASP A 78 5.458 -8.156 -5.430 1.00 0.00 O ATOM 1155 CB ASP A 78 2.820 -6.875 -6.590 1.00 0.00 C ATOM 1156 CG ASP A 78 3.581 -7.504 -7.741 1.00 0.00 C ATOM 1157 OD1 ASP A 78 3.872 -8.715 -7.667 1.00 0.00 O ATOM 1158 OD2 ASP A 78 3.885 -6.784 -8.716 1.00 0.00 O ATOM 0 H ASP A 78 4.709 -5.307 -6.867 1.00 0.00 H new ATOM 0 HA ASP A 78 3.133 -6.053 -4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.064 -7.574 -6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.293 -5.990 -6.947 1.00 0.00 H new ATOM 1163 N ASN A 79 3.905 -8.279 -3.808 1.00 0.00 N ATOM 1164 CA ASN A 79 4.487 -9.465 -3.189 1.00 0.00 C ATOM 1165 C ASN A 79 6.011 -9.390 -3.197 1.00 0.00 C ATOM 1166 O ASN A 79 6.692 -10.382 -3.461 1.00 0.00 O ATOM 1167 CB ASN A 79 4.023 -10.727 -3.920 1.00 0.00 C ATOM 1168 CG ASN A 79 2.570 -11.057 -3.638 1.00 0.00 C ATOM 1169 OD1 ASN A 79 2.265 -11.879 -2.774 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.666 -10.416 -4.369 1.00 0.00 N ATOM 0 H ASN A 79 3.066 -7.930 -3.345 1.00 0.00 H new ATOM 0 HA ASN A 79 4.148 -9.508 -2.154 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.161 -10.594 -4.993 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.649 -11.568 -3.620 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.673 -10.597 -4.225 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.965 -9.743 -5.074 1.00 0.00 H new ATOM 1177 N THR A 80 6.541 -8.207 -2.905 1.00 0.00 N ATOM 1178 CA THR A 80 7.984 -8.001 -2.878 1.00 0.00 C ATOM 1179 C THR A 80 8.528 -8.099 -1.457 1.00 0.00 C ATOM 1180 O THR A 80 7.860 -7.710 -0.499 1.00 0.00 O ATOM 1181 CB THR A 80 8.367 -6.632 -3.469 1.00 0.00 C ATOM 1182 OG1 THR A 80 7.638 -6.399 -4.679 1.00 0.00 O ATOM 1183 CG2 THR A 80 9.861 -6.562 -3.750 1.00 0.00 C ATOM 0 H THR A 80 5.992 -7.376 -2.684 1.00 0.00 H new ATOM 0 HA THR A 80 8.427 -8.788 -3.488 1.00 0.00 H new ATOM 0 HB THR A 80 8.114 -5.863 -2.739 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.042 -7.157 -4.853 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.107 -5.586 -4.167 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.413 -6.710 -2.822 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.134 -7.340 -4.463 1.00 0.00 H new ATOM 1191 N SER A 81 9.743 -8.621 -1.328 1.00 0.00 N ATOM 1192 CA SER A 81 10.375 -8.773 -0.023 1.00 0.00 C ATOM 1193 C SER A 81 10.934 -7.441 0.469 1.00 0.00 C ATOM 1194 O SER A 81 11.572 -6.705 -0.286 1.00 0.00 O ATOM 1195 CB SER A 81 11.495 -9.813 -0.093 1.00 0.00 C ATOM 1196 OG SER A 81 10.970 -11.129 -0.075 1.00 0.00 O ATOM 0 H SER A 81 10.310 -8.946 -2.111 1.00 0.00 H new ATOM 0 HA SER A 81 9.617 -9.112 0.683 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.079 -9.663 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.175 -9.678 0.748 1.00 0.00 H new ATOM 0 HG SER A 81 11.705 -11.775 -0.122 1.00 0.00 H new ATOM 1202 N LEU A 82 10.689 -7.136 1.738 1.00 0.00 N ATOM 1203 CA LEU A 82 11.166 -5.892 2.332 1.00 0.00 C ATOM 1204 C LEU A 82 12.528 -5.505 1.765 1.00 0.00 C ATOM 1205 O LEU A 82 12.708 -4.399 1.257 1.00 0.00 O ATOM 1206 CB LEU A 82 11.256 -6.032 3.853 1.00 0.00 C ATOM 1207 CG LEU A 82 11.971 -4.899 4.590 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.287 -3.569 4.316 1.00 0.00 C ATOM 1209 CD2 LEU A 82 12.015 -5.181 6.085 1.00 0.00 C ATOM 0 H LEU A 82 10.163 -7.733 2.376 1.00 0.00 H new ATOM 0 HA LEU A 82 10.453 -5.104 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.245 -6.116 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.767 -6.967 4.082 1.00 0.00 H new ATOM 0 HG LEU A 82 12.995 -4.840 4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.810 -2.775 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.308 -3.363 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.253 -3.615 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.527 -4.365 6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.999 -5.267 6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.551 -6.113 6.264 1.00 0.00 H new ATOM 1221 N ALA A 83 13.483 -6.425 1.853 1.00 0.00 N ATOM 1222 CA ALA A 83 14.827 -6.182 1.344 1.00 0.00 C ATOM 1223 C ALA A 83 14.786 -5.644 -0.082 1.00 0.00 C ATOM 1224 O ALA A 83 15.466 -4.671 -0.408 1.00 0.00 O ATOM 1225 CB ALA A 83 15.654 -7.458 1.405 1.00 0.00 C ATOM 0 H ALA A 83 13.351 -7.345 2.272 1.00 0.00 H new ATOM 0 HA ALA A 83 15.296 -5.427 1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.655 -7.261 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.721 -7.799 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.178 -8.229 0.799 1.00 0.00 H new ATOM 1231 N GLU A 84 13.983 -6.283 -0.928 1.00 0.00 N ATOM 1232 CA GLU A 84 13.855 -5.867 -2.320 1.00 0.00 C ATOM 1233 C GLU A 84 13.210 -4.488 -2.419 1.00 0.00 C ATOM 1234 O GLU A 84 13.667 -3.630 -3.173 1.00 0.00 O ATOM 1235 CB GLU A 84 13.029 -6.887 -3.105 1.00 0.00 C ATOM 1236 CG GLU A 84 13.860 -8.001 -3.720 1.00 0.00 C ATOM 1237 CD GLU A 84 13.166 -8.668 -4.892 1.00 0.00 C ATOM 1238 OE1 GLU A 84 12.958 -7.992 -5.921 1.00 0.00 O ATOM 1239 OE2 GLU A 84 12.830 -9.865 -4.779 1.00 0.00 O ATOM 0 H GLU A 84 13.412 -7.089 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 84 14.855 -5.812 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.283 -7.325 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.487 -6.370 -3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.816 -7.595 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.078 -8.749 -2.958 1.00 0.00 H new ATOM 1246 N ALA A 85 12.144 -4.284 -1.651 1.00 0.00 N ATOM 1247 CA ALA A 85 11.436 -3.010 -1.651 1.00 0.00 C ATOM 1248 C ALA A 85 12.371 -1.862 -1.282 1.00 0.00 C ATOM 1249 O ALA A 85 12.390 -0.826 -1.947 1.00 0.00 O ATOM 1250 CB ALA A 85 10.257 -3.061 -0.691 1.00 0.00 C ATOM 0 H ALA A 85 11.752 -4.984 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 85 11.062 -2.831 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.738 -2.103 -0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.570 -3.849 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.617 -3.268 0.317 1.00 0.00 H new ATOM 1256 N VAL A 86 13.144 -2.054 -0.218 1.00 0.00 N ATOM 1257 CA VAL A 86 14.081 -1.035 0.239 1.00 0.00 C ATOM 1258 C VAL A 86 15.114 -0.717 -0.836 1.00 0.00 C ATOM 1259 O VAL A 86 15.411 0.448 -1.100 1.00 0.00 O ATOM 1260 CB VAL A 86 14.811 -1.478 1.521 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.829 -0.431 1.945 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.811 -1.744 2.637 1.00 0.00 C ATOM 0 H VAL A 86 13.140 -2.906 0.343 1.00 0.00 H new ATOM 0 HA VAL A 86 13.496 -0.141 0.453 1.00 0.00 H new ATOM 0 HB VAL A 86 15.345 -2.405 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.335 -0.762 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.562 -0.294 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.321 0.514 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.343 -2.056 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.248 -0.834 2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.124 -2.533 2.330 1.00 0.00 H new ATOM 1272 N GLU A 87 15.658 -1.760 -1.454 1.00 0.00 N ATOM 1273 CA GLU A 87 16.659 -1.591 -2.501 1.00 0.00 C ATOM 1274 C GLU A 87 16.081 -0.824 -3.687 1.00 0.00 C ATOM 1275 O GLU A 87 16.780 -0.044 -4.335 1.00 0.00 O ATOM 1276 CB GLU A 87 17.179 -2.953 -2.965 1.00 0.00 C ATOM 1277 CG GLU A 87 18.270 -3.524 -2.075 1.00 0.00 C ATOM 1278 CD GLU A 87 19.600 -2.818 -2.257 1.00 0.00 C ATOM 1279 OE1 GLU A 87 19.592 -1.610 -2.573 1.00 0.00 O ATOM 1280 OE2 GLU A 87 20.648 -3.475 -2.083 1.00 0.00 O ATOM 0 H GLU A 87 15.423 -2.731 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 87 17.487 -1.016 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.347 -3.656 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.563 -2.859 -3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.961 -3.446 -1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.393 -4.585 -2.293 1.00 0.00 H new ATOM 1287 N ILE A 88 14.802 -1.051 -3.964 1.00 0.00 N ATOM 1288 CA ILE A 88 14.130 -0.381 -5.071 1.00 0.00 C ATOM 1289 C ILE A 88 14.023 1.119 -4.822 1.00 0.00 C ATOM 1290 O ILE A 88 14.230 1.927 -5.728 1.00 0.00 O ATOM 1291 CB ILE A 88 12.720 -0.954 -5.303 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.808 -2.331 -5.965 1.00 0.00 C ATOM 1293 CG2 ILE A 88 11.895 -0.002 -6.156 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.662 -3.250 -5.602 1.00 0.00 C ATOM 0 H ILE A 88 14.210 -1.693 -3.438 1.00 0.00 H new ATOM 0 HA ILE A 88 14.735 -0.557 -5.960 1.00 0.00 H new ATOM 0 HB ILE A 88 12.226 -1.066 -4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.833 -2.204 -7.047 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.747 -2.804 -5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.901 -0.421 -6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.809 0.959 -5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.384 0.139 -7.120 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.790 -4.208 -6.107 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.649 -3.407 -4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.720 -2.798 -5.914 1.00 0.00 H new ATOM 1306 N LEU A 89 13.699 1.486 -3.587 1.00 0.00 N ATOM 1307 CA LEU A 89 13.566 2.891 -3.216 1.00 0.00 C ATOM 1308 C LEU A 89 14.930 3.570 -3.156 1.00 0.00 C ATOM 1309 O LEU A 89 15.036 4.789 -3.296 1.00 0.00 O ATOM 1310 CB LEU A 89 12.861 3.017 -1.864 1.00 0.00 C ATOM 1311 CG LEU A 89 11.336 3.123 -1.909 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.750 2.990 -0.512 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.912 4.439 -2.545 1.00 0.00 C ATOM 0 H LEU A 89 13.524 0.830 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 89 12.967 3.388 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.127 2.152 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.251 3.898 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 89 10.952 2.307 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.664 3.068 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.025 2.022 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.141 3.785 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.824 4.498 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.307 5.270 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.301 4.494 -3.562 1.00 0.00 H new ATOM 1325 N LYS A 90 15.973 2.774 -2.950 1.00 0.00 N ATOM 1326 CA LYS A 90 17.333 3.296 -2.876 1.00 0.00 C ATOM 1327 C LYS A 90 17.952 3.401 -4.266 1.00 0.00 C ATOM 1328 O LYS A 90 18.742 4.305 -4.537 1.00 0.00 O ATOM 1329 CB LYS A 90 18.197 2.400 -1.986 1.00 0.00 C ATOM 1330 CG LYS A 90 18.085 2.722 -0.506 1.00 0.00 C ATOM 1331 CD LYS A 90 18.320 1.491 0.352 1.00 0.00 C ATOM 1332 CE LYS A 90 19.802 1.173 0.477 1.00 0.00 C ATOM 1333 NZ LYS A 90 20.507 2.150 1.352 1.00 0.00 N ATOM 0 H LYS A 90 15.903 1.763 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 90 17.289 4.295 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.911 1.360 -2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.239 2.495 -2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.810 3.493 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 90 17.096 3.130 -0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.896 1.651 1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.799 0.638 -0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 90 19.925 0.168 0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 90 20.259 1.176 -0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 21.437 1.769 1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 20.633 3.046 0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.943 2.318 2.210 1.00 0.00 H new ATOM 1347 N ALA A 91 17.588 2.471 -5.142 1.00 0.00 N ATOM 1348 CA ALA A 91 18.106 2.461 -6.505 1.00 0.00 C ATOM 1349 C ALA A 91 17.396 3.497 -7.369 1.00 0.00 C ATOM 1350 O ALA A 91 17.933 3.950 -8.380 1.00 0.00 O ATOM 1351 CB ALA A 91 17.961 1.074 -7.114 1.00 0.00 C ATOM 0 H ALA A 91 16.937 1.715 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 91 19.164 2.721 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.352 1.081 -8.132 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.519 0.354 -6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.908 0.793 -7.131 1.00 0.00 H new ATOM 1357 N VAL A 92 16.185 3.868 -6.966 1.00 0.00 N ATOM 1358 CA VAL A 92 15.402 4.852 -7.704 1.00 0.00 C ATOM 1359 C VAL A 92 16.141 6.182 -7.802 1.00 0.00 C ATOM 1360 O VAL A 92 16.722 6.670 -6.832 1.00 0.00 O ATOM 1361 CB VAL A 92 14.030 5.087 -7.043 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.189 5.855 -5.740 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.100 5.822 -7.996 1.00 0.00 C ATOM 0 H VAL A 92 15.725 3.502 -6.133 1.00 0.00 H new ATOM 0 HA VAL A 92 15.251 4.449 -8.706 1.00 0.00 H new ATOM 0 HB VAL A 92 13.586 4.119 -6.813 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.210 6.011 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.818 5.285 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.654 6.820 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.135 5.980 -7.514 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.536 6.786 -8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.961 5.228 -8.899 1.00 0.00 H new ATOM 1373 N PRO A 93 16.119 6.784 -9.000 1.00 0.00 N ATOM 1374 CA PRO A 93 16.782 8.067 -9.254 1.00 0.00 C ATOM 1375 C PRO A 93 16.087 9.227 -8.549 1.00 0.00 C ATOM 1376 O PRO A 93 14.904 9.162 -8.212 1.00 0.00 O ATOM 1377 CB PRO A 93 16.679 8.225 -10.773 1.00 0.00 C ATOM 1378 CG PRO A 93 15.488 7.417 -11.158 1.00 0.00 C ATOM 1379 CD PRO A 93 15.446 6.259 -10.200 1.00 0.00 C ATOM 0 HA PRO A 93 17.806 8.079 -8.879 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.556 9.271 -11.055 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.579 7.865 -11.270 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.576 8.011 -11.093 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.569 7.069 -12.188 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.422 5.952 -9.985 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.962 5.387 -10.601 1.00 0.00 H new ATOM 1387 N PRO A 94 16.837 10.315 -8.320 1.00 0.00 N ATOM 1388 CA PRO A 94 16.313 11.512 -7.654 1.00 0.00 C ATOM 1389 C PRO A 94 15.309 12.265 -8.521 1.00 0.00 C ATOM 1390 O PRO A 94 15.102 11.926 -9.685 1.00 0.00 O ATOM 1391 CB PRO A 94 17.563 12.364 -7.420 1.00 0.00 C ATOM 1392 CG PRO A 94 18.522 11.925 -8.472 1.00 0.00 C ATOM 1393 CD PRO A 94 18.253 10.462 -8.694 1.00 0.00 C ATOM 0 HA PRO A 94 15.771 11.266 -6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.339 13.427 -7.507 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.970 12.204 -6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.379 12.492 -9.392 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.552 12.089 -8.154 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.427 10.174 -9.731 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.899 9.837 -8.077 1.00 0.00 H new ATOM 1401 N GLY A 95 14.688 13.290 -7.944 1.00 0.00 N ATOM 1402 CA GLY A 95 13.714 14.075 -8.679 1.00 0.00 C ATOM 1403 C GLY A 95 12.296 13.583 -8.470 1.00 0.00 C ATOM 1404 O GLY A 95 12.009 12.888 -7.494 1.00 0.00 O ATOM 0 H GLY A 95 14.842 13.590 -6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.783 15.117 -8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.953 14.043 -9.742 1.00 0.00 H new ATOM 1408 N LEU A 96 11.405 13.943 -9.387 1.00 0.00 N ATOM 1409 CA LEU A 96 10.007 13.535 -9.298 1.00 0.00 C ATOM 1410 C LEU A 96 9.893 12.031 -9.069 1.00 0.00 C ATOM 1411 O LEU A 96 10.552 11.238 -9.742 1.00 0.00 O ATOM 1412 CB LEU A 96 9.259 13.926 -10.574 1.00 0.00 C ATOM 1413 CG LEU A 96 7.732 13.903 -10.490 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.238 12.510 -10.132 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.238 14.923 -9.474 1.00 0.00 C ATOM 0 H LEU A 96 11.626 14.517 -10.201 1.00 0.00 H new ATOM 0 HA LEU A 96 9.557 14.049 -8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.572 14.930 -10.862 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.569 13.254 -11.374 1.00 0.00 H new ATOM 0 HG LEU A 96 7.330 14.169 -11.467 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.149 12.513 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.561 11.802 -10.896 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.649 12.215 -9.167 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.149 14.893 -9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.650 14.688 -8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.561 15.920 -9.773 1.00 0.00 H new ATOM 1427 N VAL A 97 9.049 11.645 -8.117 1.00 0.00 N ATOM 1428 CA VAL A 97 8.845 10.236 -7.802 1.00 0.00 C ATOM 1429 C VAL A 97 7.376 9.852 -7.929 1.00 0.00 C ATOM 1430 O VAL A 97 6.558 10.192 -7.074 1.00 0.00 O ATOM 1431 CB VAL A 97 9.331 9.904 -6.378 1.00 0.00 C ATOM 1432 CG1 VAL A 97 9.062 8.443 -6.050 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.809 10.229 -6.230 1.00 0.00 C ATOM 0 H VAL A 97 8.496 12.288 -7.551 1.00 0.00 H new ATOM 0 HA VAL A 97 9.430 9.662 -8.521 1.00 0.00 H new ATOM 0 HB VAL A 97 8.775 10.519 -5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.412 8.226 -5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.992 8.247 -6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.590 7.807 -6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.135 9.988 -5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.384 9.642 -6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.969 11.290 -6.420 1.00 0.00 H new ATOM 1443 N HIS A 98 7.046 9.139 -9.002 1.00 0.00 N ATOM 1444 CA HIS A 98 5.674 8.707 -9.241 1.00 0.00 C ATOM 1445 C HIS A 98 5.415 7.345 -8.603 1.00 0.00 C ATOM 1446 O HIS A 98 5.730 6.306 -9.184 1.00 0.00 O ATOM 1447 CB HIS A 98 5.392 8.642 -10.742 1.00 0.00 C ATOM 1448 CG HIS A 98 5.126 9.980 -11.360 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.792 10.439 -12.476 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.258 10.959 -11.012 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.347 11.644 -12.787 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.415 11.982 -11.915 1.00 0.00 N ATOM 0 H HIS A 98 7.710 8.849 -9.719 1.00 0.00 H new ATOM 0 HA HIS A 98 5.004 9.436 -8.785 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.243 8.182 -11.244 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.533 7.994 -10.914 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.570 10.939 -10.179 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.688 12.249 -13.614 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.896 12.860 -11.912 1.00 0.00 H new ATOM 1461 N LEU A 99 4.839 7.359 -7.406 1.00 0.00 N ATOM 1462 CA LEU A 99 4.538 6.125 -6.688 1.00 0.00 C ATOM 1463 C LEU A 99 3.067 6.073 -6.287 1.00 0.00 C ATOM 1464 O LEU A 99 2.501 7.069 -5.836 1.00 0.00 O ATOM 1465 CB LEU A 99 5.422 6.005 -5.445 1.00 0.00 C ATOM 1466 CG LEU A 99 5.343 7.165 -4.452 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.125 7.016 -3.553 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.616 7.242 -3.620 1.00 0.00 C ATOM 0 H LEU A 99 4.571 8.210 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 99 4.744 5.287 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.156 5.086 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.457 5.900 -5.769 1.00 0.00 H new ATOM 0 HG LEU A 99 5.243 8.094 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.085 7.850 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.221 7.010 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.194 6.080 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.543 8.073 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.746 6.311 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.472 7.397 -4.277 1.00 0.00 H new ATOM 1480 N GLY A 100 2.454 4.905 -6.451 1.00 0.00 N ATOM 1481 CA GLY A 100 1.056 4.745 -6.100 1.00 0.00 C ATOM 1482 C GLY A 100 0.864 4.358 -4.647 1.00 0.00 C ATOM 1483 O GLY A 100 1.783 3.844 -4.008 1.00 0.00 O ATOM 0 H GLY A 100 2.901 4.066 -6.821 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.526 5.677 -6.298 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.609 3.982 -6.738 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.332 4.605 -4.123 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.640 4.279 -2.736 1.00 0.00 C ATOM 1489 C ILE A 101 -2.080 3.799 -2.591 1.00 0.00 C ATOM 1490 O ILE A 101 -2.975 4.264 -3.299 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.419 5.490 -1.811 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.981 6.070 -2.018 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.622 5.090 -0.357 1.00 0.00 C ATOM 1494 CD1 ILE A 101 2.079 5.234 -1.399 1.00 0.00 C ATOM 0 H ILE A 101 -1.103 5.030 -4.638 1.00 0.00 H new ATOM 0 HA ILE A 101 0.039 3.479 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.151 6.258 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.170 6.169 -3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.016 7.073 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.462 5.957 0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.638 4.719 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.089 4.307 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.044 5.705 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.915 5.156 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.071 4.238 -1.841 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.297 2.867 -1.670 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.630 2.324 -1.431 1.00 0.00 C ATOM 1508 C CYS A 102 -4.134 2.711 -0.045 1.00 0.00 C ATOM 1509 O CYS A 102 -3.715 2.139 0.962 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.616 0.801 -1.575 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.955 0.215 -3.251 1.00 0.00 S ATOM 0 H CYS A 102 -1.568 2.471 -1.077 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.306 2.746 -2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.642 0.426 -1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.355 0.376 -0.896 1.00 0.00 H new ATOM 0 HG CYS A 102 -5.239 0.204 -3.455 1.00 0.00 H new ATOM 1517 N SER A 103 -5.036 3.687 0.000 1.00 0.00 N ATOM 1518 CA SER A 103 -5.593 4.155 1.263 1.00 0.00 C ATOM 1519 C SER A 103 -5.938 2.980 2.173 1.00 0.00 C ATOM 1520 O SER A 103 -6.750 2.125 1.821 1.00 0.00 O ATOM 1521 CB SER A 103 -6.842 5.003 1.011 1.00 0.00 C ATOM 1522 OG SER A 103 -6.495 6.296 0.546 1.00 0.00 O ATOM 0 H SER A 103 -5.396 4.168 -0.824 1.00 0.00 H new ATOM 0 HA SER A 103 -4.840 4.768 1.759 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.479 4.508 0.278 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.420 5.087 1.931 1.00 0.00 H new ATOM 0 HG SER A 103 -7.310 6.817 0.391 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.314 2.946 3.347 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.567 1.872 4.290 1.00 0.00 C ATOM 1530 C GLY A 104 -6.164 2.372 5.591 1.00 0.00 C ATOM 1531 O GLY A 104 -6.755 3.450 5.654 1.00 0.00 O ATOM 0 H GLY A 104 -4.638 3.642 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.244 1.147 3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.634 1.349 4.499 1.00 0.00 H new