USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 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 -167:sc= 0.0516 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -116:sc= -1.6! (180deg=-5.44!) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.486 USER MOD Single : A 26 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.905) 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= -1.14 K(o=-1.1,f=-0.033) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 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 -57:sc= -1.12 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -5.72! C(o=-5.7!,f=-10!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.15 K(o=-1.1,f=-4.4!) USER MOD Single : A 80 THR OG1 : rot 22:sc= -2.27 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -116:sc= -0.314 (180deg=-2.91!) USER MOD Single : A 98 HIS : no HD1:sc= -0.662 K(o=-0.66,f=-1.3) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N TRP A 12 -7.728 -2.086 2.575 1.00 0.00 N ATOM 130 CA TRP A 12 -7.382 -0.987 1.680 1.00 0.00 C ATOM 131 C TRP A 12 -8.462 -0.785 0.624 1.00 0.00 C ATOM 132 O TRP A 12 -9.456 -1.510 0.592 1.00 0.00 O ATOM 133 CB TRP A 12 -6.036 -1.256 1.006 1.00 0.00 C ATOM 134 CG TRP A 12 -4.928 -1.528 1.978 1.00 0.00 C ATOM 135 CD1 TRP A 12 -4.344 -0.631 2.827 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.271 -2.780 2.200 1.00 0.00 C ATOM 137 NE1 TRP A 12 -3.363 -1.251 3.563 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.299 -2.570 3.198 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.410 -4.059 1.655 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.472 -3.591 3.658 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -3.588 -5.072 2.113 1.00 0.00 C ATOM 142 CH2 TRP A 12 -2.630 -4.833 3.107 1.00 0.00 C ATOM 0 HA TRP A 12 -7.307 -0.077 2.275 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.138 -2.109 0.335 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.768 -0.397 0.391 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.614 0.412 2.908 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.777 -0.802 4.267 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.147 -4.253 0.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.732 -3.409 4.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.686 -6.064 1.698 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.004 -5.645 3.445 1.00 0.00 H new ATOM 153 N SER A 13 -8.261 0.206 -0.240 1.00 0.00 N ATOM 154 CA SER A 13 -9.221 0.505 -1.296 1.00 0.00 C ATOM 155 C SER A 13 -8.652 0.145 -2.665 1.00 0.00 C ATOM 156 O SER A 13 -7.465 0.320 -2.938 1.00 0.00 O ATOM 157 CB SER A 13 -9.602 1.986 -1.264 1.00 0.00 C ATOM 158 OG SER A 13 -10.858 2.204 -1.883 1.00 0.00 O ATOM 0 H SER A 13 -7.443 0.815 -0.229 1.00 0.00 H new ATOM 0 HA SER A 13 -10.113 -0.096 -1.122 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.637 2.333 -0.231 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.836 2.573 -1.772 1.00 0.00 H new ATOM 0 HG SER A 13 -10.987 3.164 -2.033 1.00 0.00 H new ATOM 164 N PRO A 14 -9.520 -0.372 -3.548 1.00 0.00 N ATOM 165 CA PRO A 14 -9.128 -0.768 -4.904 1.00 0.00 C ATOM 166 C PRO A 14 -8.795 0.431 -5.785 1.00 0.00 C ATOM 167 O PRO A 14 -8.498 0.279 -6.969 1.00 0.00 O ATOM 168 CB PRO A 14 -10.368 -1.493 -5.434 1.00 0.00 C ATOM 169 CG PRO A 14 -11.502 -0.924 -4.654 1.00 0.00 C ATOM 170 CD PRO A 14 -10.950 -0.609 -3.291 1.00 0.00 C ATOM 0 HA PRO A 14 -8.226 -1.380 -4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.499 -1.324 -6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.289 -2.570 -5.289 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.894 -0.027 -5.133 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.325 -1.635 -4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.431 0.267 -2.856 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.102 -1.434 -2.595 1.00 0.00 H new ATOM 178 N GLU A 15 -8.847 1.623 -5.198 1.00 0.00 N ATOM 179 CA GLU A 15 -8.551 2.848 -5.932 1.00 0.00 C ATOM 180 C GLU A 15 -7.132 3.329 -5.638 1.00 0.00 C ATOM 181 O GLU A 15 -6.873 3.933 -4.598 1.00 0.00 O ATOM 182 CB GLU A 15 -9.557 3.942 -5.569 1.00 0.00 C ATOM 183 CG GLU A 15 -9.386 4.483 -4.159 1.00 0.00 C ATOM 184 CD GLU A 15 -10.677 5.035 -3.586 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.497 5.558 -4.369 1.00 0.00 O ATOM 186 OE2 GLU A 15 -10.866 4.946 -2.355 1.00 0.00 O ATOM 0 H GLU A 15 -9.091 1.766 -4.218 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.630 2.631 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.459 4.764 -6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.567 3.546 -5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.016 3.688 -3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.630 5.268 -4.164 1.00 0.00 H new ATOM 193 N VAL A 16 -6.218 3.055 -6.563 1.00 0.00 N ATOM 194 CA VAL A 16 -4.826 3.459 -6.405 1.00 0.00 C ATOM 195 C VAL A 16 -4.647 4.943 -6.704 1.00 0.00 C ATOM 196 O VAL A 16 -5.263 5.481 -7.624 1.00 0.00 O ATOM 197 CB VAL A 16 -3.897 2.646 -7.326 1.00 0.00 C ATOM 198 CG1 VAL A 16 -4.368 2.731 -8.770 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.461 3.130 -7.196 1.00 0.00 C ATOM 0 H VAL A 16 -6.416 2.555 -7.430 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.557 3.265 -5.367 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.933 1.601 -7.018 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.699 2.151 -9.406 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.379 2.332 -8.847 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.363 3.772 -9.094 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.819 2.544 -7.854 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.405 4.182 -7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.129 3.011 -6.165 1.00 0.00 H new ATOM 209 N LYS A 17 -3.799 5.601 -5.920 1.00 0.00 N ATOM 210 CA LYS A 17 -3.536 7.023 -6.101 1.00 0.00 C ATOM 211 C LYS A 17 -2.044 7.283 -6.281 1.00 0.00 C ATOM 212 O LYS A 17 -1.225 6.833 -5.479 1.00 0.00 O ATOM 213 CB LYS A 17 -4.060 7.816 -4.901 1.00 0.00 C ATOM 214 CG LYS A 17 -3.598 7.270 -3.562 1.00 0.00 C ATOM 215 CD LYS A 17 -4.617 7.539 -2.467 1.00 0.00 C ATOM 216 CE LYS A 17 -4.446 8.931 -1.877 1.00 0.00 C ATOM 217 NZ LYS A 17 -5.728 9.469 -1.345 1.00 0.00 N ATOM 0 H LYS A 17 -3.282 5.171 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.055 7.350 -7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.736 8.853 -4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.150 7.819 -4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.427 6.197 -3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.645 7.724 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.624 7.435 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.512 6.793 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.706 8.898 -1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.059 9.605 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.569 10.419 -0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.427 9.525 -2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.085 8.840 -0.597 1.00 0.00 H new ATOM 231 N ILE A 18 -1.698 8.010 -7.338 1.00 0.00 N ATOM 232 CA ILE A 18 -0.305 8.331 -7.621 1.00 0.00 C ATOM 233 C ILE A 18 0.099 9.650 -6.972 1.00 0.00 C ATOM 234 O ILE A 18 -0.465 10.702 -7.275 1.00 0.00 O ATOM 235 CB ILE A 18 -0.043 8.416 -9.137 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.470 7.117 -9.823 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.426 8.706 -9.405 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.390 5.928 -9.455 1.00 0.00 C ATOM 0 H ILE A 18 -2.363 8.388 -8.012 1.00 0.00 H new ATOM 0 HA ILE A 18 0.295 7.524 -7.201 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.635 9.234 -9.549 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.506 6.901 -9.561 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.437 7.258 -10.903 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.595 8.763 -10.480 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.700 9.655 -8.944 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.037 7.908 -8.983 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.029 5.042 -9.978 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.423 6.123 -9.742 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.338 5.760 -8.379 1.00 0.00 H new ATOM 250 N VAL A 19 1.081 9.588 -6.079 1.00 0.00 N ATOM 251 CA VAL A 19 1.563 10.779 -5.389 1.00 0.00 C ATOM 252 C VAL A 19 2.903 11.237 -5.954 1.00 0.00 C ATOM 253 O VAL A 19 3.832 10.443 -6.096 1.00 0.00 O ATOM 254 CB VAL A 19 1.716 10.528 -3.877 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.317 11.745 -3.191 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.374 10.166 -3.259 1.00 0.00 C ATOM 0 H VAL A 19 1.559 8.726 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 19 0.819 11.559 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 19 2.395 9.688 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.417 11.548 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.299 11.954 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.666 12.606 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.501 9.992 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.330 10.984 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.012 9.262 -3.731 1.00 0.00 H new ATOM 266 N GLU A 20 2.994 12.524 -6.275 1.00 0.00 N ATOM 267 CA GLU A 20 4.221 13.088 -6.826 1.00 0.00 C ATOM 268 C GLU A 20 5.182 13.492 -5.712 1.00 0.00 C ATOM 269 O GLU A 20 4.973 14.497 -5.030 1.00 0.00 O ATOM 270 CB GLU A 20 3.902 14.300 -7.704 1.00 0.00 C ATOM 271 CG GLU A 20 3.657 13.948 -9.162 1.00 0.00 C ATOM 272 CD GLU A 20 2.878 15.020 -9.898 1.00 0.00 C ATOM 273 OE1 GLU A 20 1.784 15.391 -9.424 1.00 0.00 O ATOM 274 OE2 GLU A 20 3.363 15.489 -10.949 1.00 0.00 O ATOM 0 H GLU A 20 2.234 13.195 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 20 4.701 12.323 -7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.020 14.803 -7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.728 15.009 -7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.614 13.793 -9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.112 13.005 -9.218 1.00 0.00 H new ATOM 281 N LEU A 21 6.235 12.703 -5.532 1.00 0.00 N ATOM 282 CA LEU A 21 7.229 12.977 -4.500 1.00 0.00 C ATOM 283 C LEU A 21 8.554 13.407 -5.121 1.00 0.00 C ATOM 284 O LEU A 21 9.095 12.724 -5.991 1.00 0.00 O ATOM 285 CB LEU A 21 7.440 11.740 -3.626 1.00 0.00 C ATOM 286 CG LEU A 21 6.386 11.492 -2.547 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.913 10.527 -1.497 1.00 0.00 C ATOM 288 CD2 LEU A 21 5.963 12.804 -1.903 1.00 0.00 C ATOM 0 H LEU A 21 6.423 11.868 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 21 6.858 13.793 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.480 10.865 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.413 11.823 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 21 5.512 11.042 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.149 10.363 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.165 9.578 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.804 10.948 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.212 12.608 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.830 13.282 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.543 13.463 -2.663 1.00 0.00 H new ATOM 300 N VAL A 22 9.074 14.543 -4.667 1.00 0.00 N ATOM 301 CA VAL A 22 10.337 15.063 -5.175 1.00 0.00 C ATOM 302 C VAL A 22 11.508 14.596 -4.318 1.00 0.00 C ATOM 303 O VAL A 22 11.719 15.093 -3.211 1.00 0.00 O ATOM 304 CB VAL A 22 10.332 16.603 -5.224 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.710 17.130 -5.594 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.281 17.101 -6.204 1.00 0.00 C ATOM 0 H VAL A 22 8.639 15.121 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 22 10.454 14.676 -6.187 1.00 0.00 H new ATOM 0 HB VAL A 22 10.079 16.980 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.687 18.219 -5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.437 16.803 -4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.995 16.746 -6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.291 18.191 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.501 16.716 -7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.297 16.754 -5.890 1.00 0.00 H new ATOM 316 N LYS A 23 12.269 13.638 -4.836 1.00 0.00 N ATOM 317 CA LYS A 23 13.422 13.104 -4.120 1.00 0.00 C ATOM 318 C LYS A 23 14.613 14.051 -4.223 1.00 0.00 C ATOM 319 O LYS A 23 14.788 14.736 -5.231 1.00 0.00 O ATOM 320 CB LYS A 23 13.800 11.729 -4.675 1.00 0.00 C ATOM 321 CG LYS A 23 15.088 11.173 -4.094 1.00 0.00 C ATOM 322 CD LYS A 23 15.473 9.857 -4.750 1.00 0.00 C ATOM 323 CE LYS A 23 16.977 9.634 -4.712 1.00 0.00 C ATOM 324 NZ LYS A 23 17.405 8.950 -3.461 1.00 0.00 N ATOM 0 H LYS A 23 12.108 13.215 -5.750 1.00 0.00 H new ATOM 0 HA LYS A 23 13.151 13.003 -3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.989 11.030 -4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.900 11.798 -5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.892 11.897 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.970 11.025 -3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.969 9.035 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.129 9.851 -5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.277 9.037 -5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.488 10.593 -4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.019 9.584 -2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.567 8.704 -2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.928 8.084 -3.701 1.00 0.00 H new ATOM 338 N ASP A 24 15.429 14.084 -3.176 1.00 0.00 N ATOM 339 CA ASP A 24 16.606 14.945 -3.150 1.00 0.00 C ATOM 340 C ASP A 24 17.883 14.116 -3.057 1.00 0.00 C ATOM 341 O ASP A 24 17.834 12.889 -2.972 1.00 0.00 O ATOM 342 CB ASP A 24 16.527 15.917 -1.972 1.00 0.00 C ATOM 343 CG ASP A 24 15.347 16.863 -2.080 1.00 0.00 C ATOM 344 OD1 ASP A 24 14.369 16.515 -2.775 1.00 0.00 O ATOM 345 OD2 ASP A 24 15.400 17.950 -1.468 1.00 0.00 O ATOM 0 H ASP A 24 15.297 13.524 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 24 16.630 15.514 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.452 15.352 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.449 16.496 -1.920 1.00 0.00 H new ATOM 350 N CYS A 25 19.025 14.795 -3.075 1.00 0.00 N ATOM 351 CA CYS A 25 20.316 14.122 -2.994 1.00 0.00 C ATOM 352 C CYS A 25 20.312 13.067 -1.893 1.00 0.00 C ATOM 353 O CYS A 25 20.858 11.976 -2.060 1.00 0.00 O ATOM 354 CB CYS A 25 21.430 15.138 -2.739 1.00 0.00 C ATOM 355 SG CYS A 25 21.275 16.026 -1.171 1.00 0.00 S ATOM 0 H CYS A 25 19.083 15.811 -3.145 1.00 0.00 H new ATOM 0 HA CYS A 25 20.498 13.625 -3.947 1.00 0.00 H new ATOM 0 HB2 CYS A 25 22.390 14.621 -2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.441 15.861 -3.554 1.00 0.00 H new ATOM 0 HG CYS A 25 22.264 16.860 -1.045 1.00 0.00 H new ATOM 361 N LYS A 26 19.693 13.400 -0.765 1.00 0.00 N ATOM 362 CA LYS A 26 19.617 12.482 0.366 1.00 0.00 C ATOM 363 C LYS A 26 18.688 11.313 0.056 1.00 0.00 C ATOM 364 O LYS A 26 19.020 10.158 0.319 1.00 0.00 O ATOM 365 CB LYS A 26 19.128 13.219 1.615 1.00 0.00 C ATOM 366 CG LYS A 26 17.764 13.866 1.445 1.00 0.00 C ATOM 367 CD LYS A 26 17.482 14.871 2.548 1.00 0.00 C ATOM 368 CE LYS A 26 16.942 14.191 3.797 1.00 0.00 C ATOM 369 NZ LYS A 26 18.036 13.681 4.668 1.00 0.00 N ATOM 0 H LYS A 26 19.237 14.299 -0.610 1.00 0.00 H new ATOM 0 HA LYS A 26 20.617 12.089 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.087 12.517 2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.854 13.987 1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.715 14.364 0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.992 13.096 1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.397 15.410 2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.762 15.609 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.330 14.897 4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.292 13.365 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.931 12.654 4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.955 13.885 4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.987 14.148 5.596 1.00 0.00 H new ATOM 383 N GLY A 27 17.523 11.621 -0.505 1.00 0.00 N ATOM 384 CA GLY A 27 16.565 10.584 -0.842 1.00 0.00 C ATOM 385 C GLY A 27 15.164 10.911 -0.365 1.00 0.00 C ATOM 386 O GLY A 27 14.793 12.081 -0.262 1.00 0.00 O ATOM 0 H GLY A 27 17.225 12.570 -0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.553 10.442 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.885 9.641 -0.400 1.00 0.00 H new ATOM 390 N LEU A 28 14.384 9.877 -0.073 1.00 0.00 N ATOM 391 CA LEU A 28 13.014 10.059 0.395 1.00 0.00 C ATOM 392 C LEU A 28 12.984 10.334 1.895 1.00 0.00 C ATOM 393 O LEU A 28 14.027 10.466 2.534 1.00 0.00 O ATOM 394 CB LEU A 28 12.175 8.821 0.075 1.00 0.00 C ATOM 395 CG LEU A 28 11.795 8.630 -1.394 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.350 9.949 -2.006 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.963 8.045 -2.175 1.00 0.00 C ATOM 0 H LEU A 28 14.676 8.903 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 28 12.591 10.920 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.724 7.939 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.259 8.865 0.664 1.00 0.00 H new ATOM 0 HG LEU A 28 10.962 7.929 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.084 9.794 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.484 10.328 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.163 10.672 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.675 7.916 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.816 8.721 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.236 7.078 -1.752 1.00 0.00 H new ATOM 409 N GLY A 29 11.779 10.416 2.453 1.00 0.00 N ATOM 410 CA GLY A 29 11.635 10.672 3.874 1.00 0.00 C ATOM 411 C GLY A 29 10.574 9.800 4.515 1.00 0.00 C ATOM 412 O GLY A 29 9.875 10.233 5.432 1.00 0.00 O ATOM 0 H GLY A 29 10.901 10.310 1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.590 10.500 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.380 11.721 4.027 1.00 0.00 H new ATOM 416 N PHE A 30 10.452 8.568 4.032 1.00 0.00 N ATOM 417 CA PHE A 30 9.466 7.633 4.563 1.00 0.00 C ATOM 418 C PHE A 30 10.048 6.226 4.661 1.00 0.00 C ATOM 419 O PHE A 30 11.048 5.910 4.016 1.00 0.00 O ATOM 420 CB PHE A 30 8.217 7.621 3.680 1.00 0.00 C ATOM 421 CG PHE A 30 8.509 7.341 2.233 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.852 8.370 1.371 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.440 6.050 1.736 1.00 0.00 C ATOM 424 CE1 PHE A 30 9.120 8.115 0.039 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.707 5.789 0.405 1.00 0.00 C ATOM 426 CZ PHE A 30 9.049 6.823 -0.444 1.00 0.00 C ATOM 0 H PHE A 30 11.023 8.194 3.274 1.00 0.00 H new ATOM 0 HA PHE A 30 9.191 7.963 5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.524 6.868 4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.715 8.585 3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.911 9.382 1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.174 5.238 2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.385 8.926 -0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.648 4.778 0.030 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.261 6.622 -1.484 1.00 0.00 H new ATOM 436 N SER A 31 9.415 5.385 5.472 1.00 0.00 N ATOM 437 CA SER A 31 9.872 4.013 5.659 1.00 0.00 C ATOM 438 C SER A 31 8.860 3.022 5.092 1.00 0.00 C ATOM 439 O SER A 31 7.756 3.402 4.700 1.00 0.00 O ATOM 440 CB SER A 31 10.106 3.728 7.144 1.00 0.00 C ATOM 441 OG SER A 31 11.353 4.246 7.572 1.00 0.00 O ATOM 0 H SER A 31 8.584 5.630 6.010 1.00 0.00 H new ATOM 0 HA SER A 31 10.813 3.893 5.122 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.303 4.171 7.733 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.075 2.653 7.320 1.00 0.00 H new ATOM 0 HG SER A 31 11.478 4.052 8.525 1.00 0.00 H new ATOM 447 N ILE A 32 9.245 1.751 5.052 1.00 0.00 N ATOM 448 CA ILE A 32 8.372 0.705 4.535 1.00 0.00 C ATOM 449 C ILE A 32 8.620 -0.620 5.247 1.00 0.00 C ATOM 450 O ILE A 32 9.709 -0.863 5.769 1.00 0.00 O ATOM 451 CB ILE A 32 8.568 0.505 3.020 1.00 0.00 C ATOM 452 CG1 ILE A 32 10.043 0.676 2.649 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.703 1.484 2.241 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.432 -0.043 1.376 1.00 0.00 C ATOM 0 H ILE A 32 10.156 1.421 5.371 1.00 0.00 H new ATOM 0 HA ILE A 32 7.348 1.029 4.721 1.00 0.00 H new ATOM 0 HB ILE A 32 8.262 -0.508 2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.261 1.738 2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.661 0.308 3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.852 1.331 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.654 1.319 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.982 2.505 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.490 0.122 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.246 -1.111 1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.840 0.342 0.545 1.00 0.00 H new ATOM 466 N LEU A 33 7.603 -1.476 5.264 1.00 0.00 N ATOM 467 CA LEU A 33 7.711 -2.779 5.911 1.00 0.00 C ATOM 468 C LEU A 33 6.950 -3.842 5.125 1.00 0.00 C ATOM 469 O LEU A 33 6.247 -3.532 4.163 1.00 0.00 O ATOM 470 CB LEU A 33 7.175 -2.706 7.342 1.00 0.00 C ATOM 471 CG LEU A 33 5.681 -2.982 7.514 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.339 -3.172 8.983 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.857 -1.852 6.914 1.00 0.00 C ATOM 0 H LEU A 33 6.695 -1.291 4.837 1.00 0.00 H new ATOM 0 HA LEU A 33 8.764 -3.057 5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.728 -3.419 7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.389 -1.713 7.739 1.00 0.00 H new ATOM 0 HG LEU A 33 5.438 -3.903 6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.272 -3.367 9.086 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.902 -4.016 9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.598 -2.269 9.536 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.796 -2.066 7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.104 -0.916 7.415 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.080 -1.764 5.851 1.00 0.00 H new ATOM 485 N ASP A 34 7.095 -5.095 5.541 1.00 0.00 N ATOM 486 CA ASP A 34 6.419 -6.204 4.878 1.00 0.00 C ATOM 487 C ASP A 34 5.156 -6.602 5.636 1.00 0.00 C ATOM 488 O ASP A 34 5.180 -6.775 6.854 1.00 0.00 O ATOM 489 CB ASP A 34 7.358 -7.405 4.760 1.00 0.00 C ATOM 490 CG ASP A 34 7.529 -8.137 6.077 1.00 0.00 C ATOM 491 OD1 ASP A 34 8.298 -7.649 6.931 1.00 0.00 O ATOM 492 OD2 ASP A 34 6.894 -9.198 6.252 1.00 0.00 O ATOM 0 H ASP A 34 7.675 -5.368 6.334 1.00 0.00 H new ATOM 0 HA ASP A 34 6.133 -5.877 3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.968 -8.095 4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.332 -7.068 4.406 1.00 0.00 H new ATOM 497 N TYR A 35 4.055 -6.744 4.907 1.00 0.00 N ATOM 498 CA TYR A 35 2.782 -7.119 5.510 1.00 0.00 C ATOM 499 C TYR A 35 2.286 -8.450 4.955 1.00 0.00 C ATOM 500 O TYR A 35 2.727 -8.895 3.896 1.00 0.00 O ATOM 501 CB TYR A 35 1.736 -6.029 5.264 1.00 0.00 C ATOM 502 CG TYR A 35 0.695 -5.931 6.355 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.457 -6.707 6.316 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.863 -5.061 7.426 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.411 -6.620 7.311 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.086 -4.968 8.426 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.221 -5.749 8.364 1.00 0.00 C ATOM 508 OH TYR A 35 -2.169 -5.659 9.358 1.00 0.00 O ATOM 0 H TYR A 35 4.018 -6.605 3.897 1.00 0.00 H new ATOM 0 HA TYR A 35 2.937 -7.230 6.583 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.241 -5.068 5.168 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.238 -6.223 4.314 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.609 -7.390 5.493 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.750 -4.447 7.477 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.301 -7.230 7.265 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.060 -4.287 9.252 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.882 -5.001 10.025 1.00 0.00 H new ATOM 518 N GLN A 36 1.365 -9.080 5.678 1.00 0.00 N ATOM 519 CA GLN A 36 0.809 -10.360 5.258 1.00 0.00 C ATOM 520 C GLN A 36 -0.715 -10.342 5.332 1.00 0.00 C ATOM 521 O GLN A 36 -1.292 -9.983 6.358 1.00 0.00 O ATOM 522 CB GLN A 36 1.360 -11.490 6.129 1.00 0.00 C ATOM 523 CG GLN A 36 2.623 -12.127 5.573 1.00 0.00 C ATOM 524 CD GLN A 36 2.913 -13.482 6.186 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.004 -13.722 6.704 1.00 0.00 O ATOM 526 NE2 GLN A 36 1.935 -14.379 6.131 1.00 0.00 N ATOM 0 H GLN A 36 0.989 -8.724 6.557 1.00 0.00 H new ATOM 0 HA GLN A 36 1.103 -10.533 4.223 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.568 -11.101 7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.595 -12.258 6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.525 -12.235 4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.469 -11.463 5.752 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.046 -14.138 5.692 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.073 -15.309 6.527 1.00 0.00 H new ATOM 535 N ASP A 37 -1.359 -10.732 4.238 1.00 0.00 N ATOM 536 CA ASP A 37 -2.816 -10.761 4.178 1.00 0.00 C ATOM 537 C ASP A 37 -3.383 -11.733 5.209 1.00 0.00 C ATOM 538 O ASP A 37 -2.860 -12.827 5.420 1.00 0.00 O ATOM 539 CB ASP A 37 -3.283 -11.157 2.777 1.00 0.00 C ATOM 540 CG ASP A 37 -4.739 -10.813 2.533 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.614 -11.587 2.973 1.00 0.00 O ATOM 542 OD2 ASP A 37 -5.004 -9.768 1.901 1.00 0.00 O ATOM 0 H ASP A 37 -0.895 -11.032 3.381 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.184 -9.761 4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.664 -10.652 2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.138 -12.228 2.638 1.00 0.00 H new ATOM 547 N PRO A 38 -4.476 -11.324 5.870 1.00 0.00 N ATOM 548 CA PRO A 38 -5.137 -12.143 6.891 1.00 0.00 C ATOM 549 C PRO A 38 -5.833 -13.362 6.295 1.00 0.00 C ATOM 550 O PRO A 38 -6.081 -14.348 6.989 1.00 0.00 O ATOM 551 CB PRO A 38 -6.164 -11.186 7.502 1.00 0.00 C ATOM 552 CG PRO A 38 -6.441 -10.191 6.429 1.00 0.00 C ATOM 553 CD PRO A 38 -5.152 -10.031 5.670 1.00 0.00 C ATOM 0 HA PRO A 38 -4.427 -12.546 7.613 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.071 -11.714 7.796 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.772 -10.704 8.397 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.240 -10.537 5.773 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.765 -9.240 6.852 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.330 -9.830 4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.558 -9.203 6.057 1.00 0.00 H new ATOM 561 N LEU A 39 -6.144 -13.288 5.006 1.00 0.00 N ATOM 562 CA LEU A 39 -6.811 -14.386 4.316 1.00 0.00 C ATOM 563 C LEU A 39 -5.814 -15.204 3.501 1.00 0.00 C ATOM 564 O LEU A 39 -6.011 -16.398 3.277 1.00 0.00 O ATOM 565 CB LEU A 39 -7.913 -13.847 3.401 1.00 0.00 C ATOM 566 CG LEU A 39 -8.757 -12.706 3.969 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.551 -12.027 2.863 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.688 -13.222 5.057 1.00 0.00 C ATOM 0 H LEU A 39 -5.945 -12.479 4.417 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.257 -15.036 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.453 -13.505 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.578 -14.671 3.142 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.087 -11.969 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.146 -11.218 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.865 -11.622 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.212 -12.754 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.281 -12.396 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.352 -13.979 4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.099 -13.661 5.862 1.00 0.00 H new ATOM 580 N ASP A 40 -4.741 -14.554 3.064 1.00 0.00 N ATOM 581 CA ASP A 40 -3.711 -15.221 2.277 1.00 0.00 C ATOM 582 C ASP A 40 -2.335 -15.026 2.908 1.00 0.00 C ATOM 583 O ASP A 40 -1.651 -14.031 2.669 1.00 0.00 O ATOM 584 CB ASP A 40 -3.708 -14.688 0.844 1.00 0.00 C ATOM 585 CG ASP A 40 -3.255 -15.730 -0.160 1.00 0.00 C ATOM 586 OD1 ASP A 40 -3.868 -16.818 -0.205 1.00 0.00 O ATOM 587 OD2 ASP A 40 -2.288 -15.458 -0.902 1.00 0.00 O ATOM 0 H ASP A 40 -4.562 -13.566 3.242 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.936 -16.287 2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.710 -14.348 0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.052 -13.820 0.784 1.00 0.00 H new ATOM 592 N PRO A 41 -1.919 -15.998 3.734 1.00 0.00 N ATOM 593 CA PRO A 41 -0.623 -15.956 4.416 1.00 0.00 C ATOM 594 C PRO A 41 0.545 -16.140 3.453 1.00 0.00 C ATOM 595 O PRO A 41 1.674 -15.743 3.745 1.00 0.00 O ATOM 596 CB PRO A 41 -0.699 -17.130 5.395 1.00 0.00 C ATOM 597 CG PRO A 41 -1.679 -18.071 4.783 1.00 0.00 C ATOM 598 CD PRO A 41 -2.683 -17.213 4.064 1.00 0.00 C ATOM 0 HA PRO A 41 -0.446 -14.994 4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.275 -17.602 5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.028 -16.802 6.381 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.185 -18.755 4.093 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.162 -18.682 5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.063 -17.704 3.168 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.544 -16.988 4.694 1.00 0.00 H new ATOM 606 N THR A 42 0.268 -16.745 2.302 1.00 0.00 N ATOM 607 CA THR A 42 1.295 -16.983 1.296 1.00 0.00 C ATOM 608 C THR A 42 1.536 -15.737 0.452 1.00 0.00 C ATOM 609 O THR A 42 2.320 -15.761 -0.497 1.00 0.00 O ATOM 610 CB THR A 42 0.914 -18.152 0.369 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.357 -17.899 -0.241 1.00 0.00 O ATOM 612 CG2 THR A 42 0.860 -19.461 1.142 1.00 0.00 C ATOM 0 H THR A 42 -0.660 -17.079 2.044 1.00 0.00 H new ATOM 0 HA THR A 42 2.209 -17.238 1.832 1.00 0.00 H new ATOM 0 HB THR A 42 1.677 -18.237 -0.404 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.592 -18.646 -0.830 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.589 -20.272 0.466 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.837 -19.665 1.580 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.115 -19.385 1.934 1.00 0.00 H new ATOM 620 N ARG A 43 0.858 -14.649 0.803 1.00 0.00 N ATOM 621 CA ARG A 43 0.999 -13.393 0.076 1.00 0.00 C ATOM 622 C ARG A 43 1.423 -12.267 1.014 1.00 0.00 C ATOM 623 O ARG A 43 0.949 -12.177 2.147 1.00 0.00 O ATOM 624 CB ARG A 43 -0.317 -13.028 -0.614 1.00 0.00 C ATOM 625 CG ARG A 43 -0.434 -13.572 -2.028 1.00 0.00 C ATOM 626 CD ARG A 43 -1.623 -12.969 -2.760 1.00 0.00 C ATOM 627 NE ARG A 43 -1.991 -13.747 -3.940 1.00 0.00 N ATOM 628 CZ ARG A 43 -1.324 -13.701 -5.088 1.00 0.00 C ATOM 629 NH1 ARG A 43 -0.261 -12.918 -5.210 1.00 0.00 N ATOM 630 NH2 ARG A 43 -1.721 -14.438 -6.117 1.00 0.00 N ATOM 0 H ARG A 43 0.206 -14.612 1.586 1.00 0.00 H new ATOM 0 HA ARG A 43 1.773 -13.524 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.147 -13.407 -0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.414 -11.943 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.481 -13.356 -2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.538 -14.657 -1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.475 -12.913 -2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.385 -11.948 -3.059 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.805 -14.359 -3.879 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.047 -12.349 -4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.249 -12.885 -6.093 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.539 -15.041 -6.027 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.208 -14.402 -6.998 1.00 0.00 H new ATOM 644 N SER A 44 2.319 -11.410 0.535 1.00 0.00 N ATOM 645 CA SER A 44 2.810 -10.292 1.332 1.00 0.00 C ATOM 646 C SER A 44 2.692 -8.981 0.560 1.00 0.00 C ATOM 647 O SER A 44 2.661 -8.973 -0.671 1.00 0.00 O ATOM 648 CB SER A 44 4.266 -10.528 1.738 1.00 0.00 C ATOM 649 OG SER A 44 5.011 -11.081 0.667 1.00 0.00 O ATOM 0 H SER A 44 2.720 -11.469 -0.401 1.00 0.00 H new ATOM 0 HA SER A 44 2.196 -10.221 2.230 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.717 -9.586 2.051 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.303 -11.199 2.596 1.00 0.00 H new ATOM 0 HG SER A 44 5.938 -11.221 0.951 1.00 0.00 H new ATOM 655 N VAL A 45 2.627 -7.874 1.292 1.00 0.00 N ATOM 656 CA VAL A 45 2.514 -6.556 0.678 1.00 0.00 C ATOM 657 C VAL A 45 3.268 -5.506 1.486 1.00 0.00 C ATOM 658 O VAL A 45 3.289 -5.552 2.716 1.00 0.00 O ATOM 659 CB VAL A 45 1.042 -6.124 0.544 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.250 -7.160 -0.240 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.426 -5.898 1.916 1.00 0.00 C ATOM 0 H VAL A 45 2.651 -7.863 2.312 1.00 0.00 H new ATOM 0 HA VAL A 45 2.955 -6.631 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 45 1.007 -5.183 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.788 -6.837 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.679 -7.268 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.291 -8.118 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.614 -5.593 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.472 -6.822 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.978 -5.116 2.438 1.00 0.00 H new ATOM 671 N ILE A 46 3.887 -4.561 0.786 1.00 0.00 N ATOM 672 CA ILE A 46 4.642 -3.499 1.439 1.00 0.00 C ATOM 673 C ILE A 46 3.735 -2.333 1.817 1.00 0.00 C ATOM 674 O ILE A 46 2.985 -1.820 0.986 1.00 0.00 O ATOM 675 CB ILE A 46 5.778 -2.980 0.538 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.779 -4.099 0.246 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.474 -1.796 1.193 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.624 -4.480 1.441 1.00 0.00 C ATOM 0 H ILE A 46 3.880 -4.509 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 46 5.074 -3.928 2.343 1.00 0.00 H new ATOM 0 HB ILE A 46 5.349 -2.647 -0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.237 -4.979 -0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.434 -3.787 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.274 -1.440 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.754 -0.994 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.893 -2.105 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.311 -5.279 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.193 -3.613 1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.978 -4.823 2.249 1.00 0.00 H new ATOM 690 N VAL A 47 3.809 -1.916 3.077 1.00 0.00 N ATOM 691 CA VAL A 47 2.997 -0.808 3.566 1.00 0.00 C ATOM 692 C VAL A 47 3.862 0.402 3.897 1.00 0.00 C ATOM 693 O VAL A 47 5.091 0.333 3.844 1.00 0.00 O ATOM 694 CB VAL A 47 2.195 -1.210 4.818 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.869 -0.465 4.864 1.00 0.00 C ATOM 696 CG2 VAL A 47 1.971 -2.714 4.847 1.00 0.00 C ATOM 0 H VAL A 47 4.424 -2.329 3.778 1.00 0.00 H new ATOM 0 HA VAL A 47 2.303 -0.547 2.767 1.00 0.00 H new ATOM 0 HB VAL A 47 2.771 -0.934 5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.316 -0.762 5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.056 0.609 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.284 -0.708 3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.403 -2.980 5.738 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.416 -3.016 3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.934 -3.225 4.864 1.00 0.00 H new ATOM 706 N ILE A 48 3.213 1.510 4.239 1.00 0.00 N ATOM 707 CA ILE A 48 3.924 2.736 4.581 1.00 0.00 C ATOM 708 C ILE A 48 4.262 2.780 6.067 1.00 0.00 C ATOM 709 O ILE A 48 3.466 3.249 6.882 1.00 0.00 O ATOM 710 CB ILE A 48 3.099 3.985 4.217 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.847 4.035 2.708 1.00 0.00 C ATOM 712 CG2 ILE A 48 3.812 5.246 4.682 1.00 0.00 C ATOM 713 CD1 ILE A 48 4.086 4.349 1.899 1.00 0.00 C ATOM 0 H ILE A 48 2.197 1.584 4.287 1.00 0.00 H new ATOM 0 HA ILE A 48 4.847 2.737 4.001 1.00 0.00 H new ATOM 0 HB ILE A 48 2.137 3.927 4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.444 3.076 2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.086 4.787 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.216 6.120 4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.945 5.211 5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.787 5.312 4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.833 4.368 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.478 5.322 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.841 3.584 2.078 1.00 0.00 H new ATOM 725 N ARG A 49 5.447 2.289 6.414 1.00 0.00 N ATOM 726 CA ARG A 49 5.891 2.272 7.802 1.00 0.00 C ATOM 727 C ARG A 49 5.545 3.585 8.499 1.00 0.00 C ATOM 728 O ARG A 49 4.744 3.611 9.434 1.00 0.00 O ATOM 729 CB ARG A 49 7.399 2.026 7.875 1.00 0.00 C ATOM 730 CG ARG A 49 7.964 2.116 9.283 1.00 0.00 C ATOM 731 CD ARG A 49 7.846 0.789 10.017 1.00 0.00 C ATOM 732 NE ARG A 49 8.849 0.655 11.069 1.00 0.00 N ATOM 733 CZ ARG A 49 8.942 -0.405 11.865 1.00 0.00 C ATOM 734 NH1 ARG A 49 8.097 -1.417 11.728 1.00 0.00 N ATOM 735 NH2 ARG A 49 9.882 -0.453 12.800 1.00 0.00 N ATOM 0 H ARG A 49 6.117 1.897 5.752 1.00 0.00 H new ATOM 0 HA ARG A 49 5.373 1.461 8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.618 1.039 7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.908 2.752 7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.011 2.416 9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.435 2.889 9.840 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.850 0.703 10.452 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.955 -0.030 9.306 1.00 0.00 H new ATOM 0 HE ARG A 49 9.515 1.417 11.200 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.373 -1.383 11.010 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.171 -2.229 12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.534 0.324 12.908 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.953 -1.267 13.411 1.00 0.00 H new ATOM 749 N SER A 50 6.155 4.672 8.038 1.00 0.00 N ATOM 750 CA SER A 50 5.915 5.988 8.620 1.00 0.00 C ATOM 751 C SER A 50 6.559 7.082 7.774 1.00 0.00 C ATOM 752 O SER A 50 7.487 6.824 7.006 1.00 0.00 O ATOM 753 CB SER A 50 6.461 6.044 10.048 1.00 0.00 C ATOM 754 OG SER A 50 7.810 6.479 10.062 1.00 0.00 O ATOM 0 H SER A 50 6.819 4.668 7.264 1.00 0.00 H new ATOM 0 HA SER A 50 4.838 6.157 8.643 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.851 6.720 10.647 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.389 5.058 10.507 1.00 0.00 H new ATOM 0 HG SER A 50 8.135 6.508 10.986 1.00 0.00 H new ATOM 760 N LEU A 51 6.060 8.304 7.919 1.00 0.00 N ATOM 761 CA LEU A 51 6.585 9.440 7.169 1.00 0.00 C ATOM 762 C LEU A 51 7.497 10.295 8.043 1.00 0.00 C ATOM 763 O LEU A 51 7.040 10.953 8.978 1.00 0.00 O ATOM 764 CB LEU A 51 5.437 10.291 6.623 1.00 0.00 C ATOM 765 CG LEU A 51 4.168 9.533 6.232 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.045 10.506 5.906 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.438 8.613 5.050 1.00 0.00 C ATOM 0 H LEU A 51 5.292 8.534 8.549 1.00 0.00 H new ATOM 0 HA LEU A 51 7.170 9.054 6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.174 11.036 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.797 10.833 5.748 1.00 0.00 H new ATOM 0 HG LEU A 51 3.858 8.921 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.150 9.949 5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.833 11.123 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.346 11.144 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.523 8.082 4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.773 9.204 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.211 7.893 5.318 1.00 0.00 H new ATOM 779 N VAL A 52 8.789 10.283 7.731 1.00 0.00 N ATOM 780 CA VAL A 52 9.765 11.060 8.485 1.00 0.00 C ATOM 781 C VAL A 52 9.302 12.502 8.661 1.00 0.00 C ATOM 782 O VAL A 52 8.576 13.038 7.823 1.00 0.00 O ATOM 783 CB VAL A 52 11.141 11.056 7.794 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.143 11.874 8.594 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.636 9.630 7.604 1.00 0.00 C ATOM 0 H VAL A 52 9.184 9.743 6.961 1.00 0.00 H new ATOM 0 HA VAL A 52 9.857 10.588 9.463 1.00 0.00 H new ATOM 0 HB VAL A 52 11.036 11.515 6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.109 11.859 8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.791 12.903 8.675 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.247 11.447 9.591 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.610 9.645 7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.726 9.144 8.575 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.928 9.078 6.986 1.00 0.00 H new ATOM 795 N ALA A 53 9.726 13.125 9.755 1.00 0.00 N ATOM 796 CA ALA A 53 9.358 14.506 10.039 1.00 0.00 C ATOM 797 C ALA A 53 9.755 15.429 8.892 1.00 0.00 C ATOM 798 O ALA A 53 10.930 15.521 8.536 1.00 0.00 O ATOM 799 CB ALA A 53 10.003 14.968 11.338 1.00 0.00 C ATOM 0 H ALA A 53 10.325 12.695 10.460 1.00 0.00 H new ATOM 0 HA ALA A 53 8.274 14.551 10.147 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.719 16.001 11.538 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.665 14.334 12.158 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.087 14.900 11.250 1.00 0.00 H new ATOM 805 N ASP A 54 8.769 16.108 8.316 1.00 0.00 N ATOM 806 CA ASP A 54 9.017 17.023 7.208 1.00 0.00 C ATOM 807 C ASP A 54 9.726 16.310 6.062 1.00 0.00 C ATOM 808 O ASP A 54 10.490 16.920 5.315 1.00 0.00 O ATOM 809 CB ASP A 54 9.853 18.214 7.680 1.00 0.00 C ATOM 810 CG ASP A 54 9.129 19.059 8.709 1.00 0.00 C ATOM 811 OD1 ASP A 54 8.633 18.488 9.704 1.00 0.00 O ATOM 812 OD2 ASP A 54 9.058 20.291 8.522 1.00 0.00 O ATOM 0 H ASP A 54 7.791 16.042 8.598 1.00 0.00 H new ATOM 0 HA ASP A 54 8.055 17.385 6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.789 17.851 8.106 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.112 18.835 6.822 1.00 0.00 H new ATOM 817 N GLY A 55 9.468 15.012 5.929 1.00 0.00 N ATOM 818 CA GLY A 55 10.091 14.237 4.872 1.00 0.00 C ATOM 819 C GLY A 55 9.350 14.352 3.555 1.00 0.00 C ATOM 820 O GLY A 55 8.144 14.599 3.532 1.00 0.00 O ATOM 0 H GLY A 55 8.839 14.484 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.119 14.573 4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.134 13.190 5.171 1.00 0.00 H new ATOM 824 N VAL A 56 10.073 14.176 2.454 1.00 0.00 N ATOM 825 CA VAL A 56 9.477 14.262 1.126 1.00 0.00 C ATOM 826 C VAL A 56 8.053 13.720 1.126 1.00 0.00 C ATOM 827 O VAL A 56 7.166 14.276 0.480 1.00 0.00 O ATOM 828 CB VAL A 56 10.309 13.488 0.086 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.628 13.520 -1.274 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.717 14.058 -0.001 1.00 0.00 C ATOM 0 H VAL A 56 11.073 13.973 2.455 1.00 0.00 H new ATOM 0 HA VAL A 56 9.461 15.318 0.855 1.00 0.00 H new ATOM 0 HB VAL A 56 10.381 12.448 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.230 12.968 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.642 13.061 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.523 14.553 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.291 13.499 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.668 15.106 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.203 13.978 0.971 1.00 0.00 H new ATOM 840 N ALA A 57 7.841 12.629 1.856 1.00 0.00 N ATOM 841 CA ALA A 57 6.523 12.013 1.943 1.00 0.00 C ATOM 842 C ALA A 57 5.493 12.993 2.495 1.00 0.00 C ATOM 843 O ALA A 57 4.529 13.342 1.815 1.00 0.00 O ATOM 844 CB ALA A 57 6.581 10.763 2.809 1.00 0.00 C ATOM 0 H ALA A 57 8.565 12.154 2.395 1.00 0.00 H new ATOM 0 HA ALA A 57 6.214 11.731 0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.590 10.313 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.279 10.049 2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.916 11.030 3.811 1.00 0.00 H new ATOM 850 N GLU A 58 5.705 13.433 3.732 1.00 0.00 N ATOM 851 CA GLU A 58 4.793 14.372 4.374 1.00 0.00 C ATOM 852 C GLU A 58 4.726 15.683 3.597 1.00 0.00 C ATOM 853 O GLU A 58 3.649 16.245 3.398 1.00 0.00 O ATOM 854 CB GLU A 58 5.234 14.641 5.814 1.00 0.00 C ATOM 855 CG GLU A 58 4.107 15.109 6.719 1.00 0.00 C ATOM 856 CD GLU A 58 4.610 15.839 7.949 1.00 0.00 C ATOM 857 OE1 GLU A 58 5.208 15.180 8.826 1.00 0.00 O ATOM 858 OE2 GLU A 58 4.407 17.068 8.035 1.00 0.00 O ATOM 0 H GLU A 58 6.499 13.154 4.308 1.00 0.00 H new ATOM 0 HA GLU A 58 3.799 13.925 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.667 13.731 6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.021 15.395 5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.444 15.767 6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.514 14.248 7.029 1.00 0.00 H new ATOM 865 N ARG A 59 5.886 16.166 3.163 1.00 0.00 N ATOM 866 CA ARG A 59 5.960 17.412 2.409 1.00 0.00 C ATOM 867 C ARG A 59 4.870 17.469 1.343 1.00 0.00 C ATOM 868 O ARG A 59 4.009 18.349 1.368 1.00 0.00 O ATOM 869 CB ARG A 59 7.335 17.556 1.755 1.00 0.00 C ATOM 870 CG ARG A 59 8.459 17.806 2.748 1.00 0.00 C ATOM 871 CD ARG A 59 9.814 17.836 2.060 1.00 0.00 C ATOM 872 NE ARG A 59 10.764 18.700 2.758 1.00 0.00 N ATOM 873 CZ ARG A 59 12.042 18.814 2.415 1.00 0.00 C ATOM 874 NH1 ARG A 59 12.521 18.124 1.389 1.00 0.00 N ATOM 875 NH2 ARG A 59 12.843 19.621 3.099 1.00 0.00 N ATOM 0 H ARG A 59 6.787 15.714 3.320 1.00 0.00 H new ATOM 0 HA ARG A 59 5.807 18.237 3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.556 16.650 1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.304 18.378 1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.289 18.753 3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.454 17.026 3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.216 16.824 2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.692 18.185 1.035 1.00 0.00 H new ATOM 0 HE ARG A 59 10.427 19.245 3.552 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.907 17.504 0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.503 18.214 1.128 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.477 20.154 3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.825 19.709 2.836 1.00 0.00 H new ATOM 889 N SER A 60 4.913 16.525 0.409 1.00 0.00 N ATOM 890 CA SER A 60 3.932 16.470 -0.669 1.00 0.00 C ATOM 891 C SER A 60 2.512 16.467 -0.111 1.00 0.00 C ATOM 892 O SER A 60 1.638 17.179 -0.604 1.00 0.00 O ATOM 893 CB SER A 60 4.157 15.225 -1.528 1.00 0.00 C ATOM 894 OG SER A 60 3.606 14.074 -0.912 1.00 0.00 O ATOM 0 H SER A 60 5.617 15.787 0.377 1.00 0.00 H new ATOM 0 HA SER A 60 4.059 17.358 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.703 15.369 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.225 15.079 -1.689 1.00 0.00 H new ATOM 0 HG SER A 60 4.002 13.957 -0.023 1.00 0.00 H new ATOM 900 N GLY A 61 2.291 15.661 0.923 1.00 0.00 N ATOM 901 CA GLY A 61 0.976 15.579 1.532 1.00 0.00 C ATOM 902 C GLY A 61 0.069 14.592 0.824 1.00 0.00 C ATOM 903 O GLY A 61 -1.086 14.899 0.532 1.00 0.00 O ATOM 0 H GLY A 61 2.999 15.063 1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.081 15.287 2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.512 16.565 1.522 1.00 0.00 H new ATOM 907 N GLY A 62 0.594 13.403 0.544 1.00 0.00 N ATOM 908 CA GLY A 62 -0.189 12.387 -0.133 1.00 0.00 C ATOM 909 C GLY A 62 -0.053 11.023 0.513 1.00 0.00 C ATOM 910 O GLY A 62 -1.018 10.261 0.584 1.00 0.00 O ATOM 0 H GLY A 62 1.548 13.126 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.238 12.682 -0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.125 12.325 -1.175 1.00 0.00 H new ATOM 914 N LEU A 63 1.149 10.711 0.985 1.00 0.00 N ATOM 915 CA LEU A 63 1.410 9.428 1.628 1.00 0.00 C ATOM 916 C LEU A 63 0.979 9.454 3.091 1.00 0.00 C ATOM 917 O LEU A 63 0.813 10.522 3.681 1.00 0.00 O ATOM 918 CB LEU A 63 2.895 9.077 1.528 1.00 0.00 C ATOM 919 CG LEU A 63 3.361 8.504 0.189 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.181 9.527 -0.922 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.813 8.058 0.276 1.00 0.00 C ATOM 0 H LEU A 63 1.959 11.329 0.934 1.00 0.00 H new ATOM 0 HA LEU A 63 0.828 8.666 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.475 9.976 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.131 8.356 2.311 1.00 0.00 H new ATOM 0 HG LEU A 63 2.748 7.634 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.518 9.101 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.128 9.797 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.768 10.417 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.127 7.653 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.441 8.911 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.912 7.290 1.043 1.00 0.00 H new ATOM 933 N LEU A 64 0.803 8.272 3.671 1.00 0.00 N ATOM 934 CA LEU A 64 0.394 8.159 5.067 1.00 0.00 C ATOM 935 C LEU A 64 0.795 6.806 5.644 1.00 0.00 C ATOM 936 O LEU A 64 0.877 5.801 4.937 1.00 0.00 O ATOM 937 CB LEU A 64 -1.119 8.352 5.193 1.00 0.00 C ATOM 938 CG LEU A 64 -1.661 9.712 4.751 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.181 9.693 4.712 1.00 0.00 C ATOM 940 CD2 LEU A 64 -1.163 10.812 5.678 1.00 0.00 C ATOM 0 H LEU A 64 0.937 7.379 3.197 1.00 0.00 H new ATOM 0 HA LEU A 64 0.902 8.940 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.614 7.578 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.400 8.192 6.234 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.294 9.919 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.549 10.669 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.517 8.932 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.568 9.464 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.559 11.773 5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.500 10.611 6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.074 10.841 5.655 1.00 0.00 H new ATOM 952 N PRO A 65 1.050 6.775 6.961 1.00 0.00 N ATOM 953 CA PRO A 65 1.444 5.550 7.663 1.00 0.00 C ATOM 954 C PRO A 65 0.301 4.545 7.761 1.00 0.00 C ATOM 955 O PRO A 65 -0.703 4.795 8.427 1.00 0.00 O ATOM 956 CB PRO A 65 1.837 6.050 9.055 1.00 0.00 C ATOM 957 CG PRO A 65 1.073 7.317 9.233 1.00 0.00 C ATOM 958 CD PRO A 65 0.972 7.934 7.866 1.00 0.00 C ATOM 0 HA PRO A 65 2.243 5.021 7.143 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.580 5.322 9.824 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.911 6.222 9.125 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.084 7.122 9.647 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.582 7.986 9.927 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.037 8.480 7.740 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.781 8.641 7.684 1.00 0.00 H new ATOM 966 N GLY A 66 0.461 3.407 7.093 1.00 0.00 N ATOM 967 CA GLY A 66 -0.565 2.381 7.119 1.00 0.00 C ATOM 968 C GLY A 66 -1.060 2.021 5.732 1.00 0.00 C ATOM 969 O GLY A 66 -1.586 0.929 5.517 1.00 0.00 O ATOM 0 H GLY A 66 1.283 3.177 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.170 1.488 7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.404 2.726 7.723 1.00 0.00 H new ATOM 973 N ASP A 67 -0.894 2.942 4.789 1.00 0.00 N ATOM 974 CA ASP A 67 -1.329 2.717 3.415 1.00 0.00 C ATOM 975 C ASP A 67 -0.400 1.738 2.705 1.00 0.00 C ATOM 976 O ASP A 67 0.812 1.746 2.924 1.00 0.00 O ATOM 977 CB ASP A 67 -1.378 4.040 2.650 1.00 0.00 C ATOM 978 CG ASP A 67 -2.411 4.996 3.212 1.00 0.00 C ATOM 979 OD1 ASP A 67 -2.736 4.881 4.412 1.00 0.00 O ATOM 980 OD2 ASP A 67 -2.895 5.860 2.451 1.00 0.00 O ATOM 0 H ASP A 67 -0.461 3.851 4.951 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.330 2.285 3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.396 4.511 2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.603 3.842 1.602 1.00 0.00 H new ATOM 985 N ARG A 68 -0.975 0.895 1.854 1.00 0.00 N ATOM 986 CA ARG A 68 -0.199 -0.092 1.113 1.00 0.00 C ATOM 987 C ARG A 68 0.418 0.528 -0.137 1.00 0.00 C ATOM 988 O ARG A 68 -0.275 1.159 -0.937 1.00 0.00 O ATOM 989 CB ARG A 68 -1.082 -1.279 0.724 1.00 0.00 C ATOM 990 CG ARG A 68 -0.324 -2.402 0.035 1.00 0.00 C ATOM 991 CD ARG A 68 -1.206 -3.142 -0.959 1.00 0.00 C ATOM 992 NE ARG A 68 -0.461 -4.151 -1.706 1.00 0.00 N ATOM 993 CZ ARG A 68 -1.035 -5.065 -2.480 1.00 0.00 C ATOM 994 NH1 ARG A 68 -2.355 -5.096 -2.608 1.00 0.00 N ATOM 995 NH2 ARG A 68 -0.290 -5.951 -3.129 1.00 0.00 N ATOM 0 H ARG A 68 -1.976 0.876 1.660 1.00 0.00 H new ATOM 0 HA ARG A 68 0.606 -0.443 1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.562 -1.673 1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.876 -0.929 0.064 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.544 -1.993 -0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.050 -3.102 0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.030 -3.619 -0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.646 -2.428 -1.655 1.00 0.00 H new ATOM 0 HE ARG A 68 0.556 -4.154 -1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.932 -4.417 -2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.793 -5.799 -3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.725 -5.931 -3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.733 -6.652 -3.723 1.00 0.00 H new ATOM 1009 N LEU A 69 1.724 0.347 -0.299 1.00 0.00 N ATOM 1010 CA LEU A 69 2.435 0.889 -1.451 1.00 0.00 C ATOM 1011 C LEU A 69 2.366 -0.071 -2.635 1.00 0.00 C ATOM 1012 O LEU A 69 2.717 -1.245 -2.517 1.00 0.00 O ATOM 1013 CB LEU A 69 3.895 1.167 -1.090 1.00 0.00 C ATOM 1014 CG LEU A 69 4.854 1.352 -2.266 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.472 2.579 -3.079 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.289 1.463 -1.772 1.00 0.00 C ATOM 0 H LEU A 69 2.312 -0.171 0.353 1.00 0.00 H new ATOM 0 HA LEU A 69 1.953 1.824 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.931 2.065 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.260 0.344 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 69 4.780 0.477 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.166 2.694 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.459 2.459 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.516 3.464 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.958 1.594 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.379 2.320 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.560 0.554 -1.234 1.00 0.00 H new ATOM 1028 N VAL A 70 1.912 0.437 -3.776 1.00 0.00 N ATOM 1029 CA VAL A 70 1.800 -0.374 -4.983 1.00 0.00 C ATOM 1030 C VAL A 70 3.142 -0.485 -5.697 1.00 0.00 C ATOM 1031 O VAL A 70 3.672 -1.581 -5.879 1.00 0.00 O ATOM 1032 CB VAL A 70 0.759 0.209 -5.957 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.493 -0.761 -7.097 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.529 0.546 -5.220 1.00 0.00 C ATOM 0 H VAL A 70 1.616 1.406 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 70 1.476 -1.366 -4.668 1.00 0.00 H new ATOM 0 HB VAL A 70 1.159 1.130 -6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.245 -0.332 -7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.420 -0.947 -7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.113 -1.700 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.254 0.957 -5.923 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.936 -0.358 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.321 1.281 -4.442 1.00 0.00 H new ATOM 1044 N SER A 71 3.688 0.658 -6.100 1.00 0.00 N ATOM 1045 CA SER A 71 4.968 0.690 -6.798 1.00 0.00 C ATOM 1046 C SER A 71 5.671 2.027 -6.583 1.00 0.00 C ATOM 1047 O SER A 71 5.086 2.971 -6.052 1.00 0.00 O ATOM 1048 CB SER A 71 4.763 0.443 -8.294 1.00 0.00 C ATOM 1049 OG SER A 71 3.535 0.992 -8.738 1.00 0.00 O ATOM 0 H SER A 71 3.264 1.574 -5.955 1.00 0.00 H new ATOM 0 HA SER A 71 5.597 -0.101 -6.389 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.586 0.885 -8.855 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.780 -0.628 -8.494 1.00 0.00 H new ATOM 0 HG SER A 71 3.429 0.822 -9.697 1.00 0.00 H new ATOM 1055 N VAL A 72 6.931 2.100 -7.001 1.00 0.00 N ATOM 1056 CA VAL A 72 7.715 3.321 -6.856 1.00 0.00 C ATOM 1057 C VAL A 72 8.535 3.599 -8.111 1.00 0.00 C ATOM 1058 O VAL A 72 9.512 2.907 -8.392 1.00 0.00 O ATOM 1059 CB VAL A 72 8.662 3.239 -5.644 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.610 4.428 -5.626 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.866 3.161 -4.350 1.00 0.00 C ATOM 0 H VAL A 72 7.430 1.328 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 72 7.008 4.136 -6.700 1.00 0.00 H new ATOM 0 HB VAL A 72 9.258 2.331 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.271 4.353 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.205 4.433 -6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.034 5.351 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.551 3.104 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.242 4.050 -4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.233 2.274 -4.365 1.00 0.00 H new ATOM 1071 N ASN A 73 8.129 4.618 -8.862 1.00 0.00 N ATOM 1072 CA ASN A 73 8.827 4.989 -10.088 1.00 0.00 C ATOM 1073 C ASN A 73 8.778 3.854 -11.106 1.00 0.00 C ATOM 1074 O ASN A 73 9.808 3.436 -11.633 1.00 0.00 O ATOM 1075 CB ASN A 73 10.281 5.353 -9.781 1.00 0.00 C ATOM 1076 CG ASN A 73 10.457 6.828 -9.477 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.490 7.531 -9.181 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.694 7.303 -9.548 1.00 0.00 N ATOM 0 H ASN A 73 7.321 5.201 -8.643 1.00 0.00 H new ATOM 0 HA ASN A 73 8.325 5.857 -10.515 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.628 4.766 -8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.907 5.083 -10.631 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.874 8.288 -9.353 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.465 6.683 -9.797 1.00 0.00 H new ATOM 1085 N GLU A 74 7.574 3.361 -11.377 1.00 0.00 N ATOM 1086 CA GLU A 74 7.391 2.274 -12.332 1.00 0.00 C ATOM 1087 C GLU A 74 8.114 1.013 -11.866 1.00 0.00 C ATOM 1088 O GLU A 74 8.910 0.432 -12.604 1.00 0.00 O ATOM 1089 CB GLU A 74 7.904 2.688 -13.713 1.00 0.00 C ATOM 1090 CG GLU A 74 6.944 3.586 -14.474 1.00 0.00 C ATOM 1091 CD GLU A 74 7.492 4.017 -15.821 1.00 0.00 C ATOM 1092 OE1 GLU A 74 7.257 3.299 -16.815 1.00 0.00 O ATOM 1093 OE2 GLU A 74 8.156 5.073 -15.880 1.00 0.00 O ATOM 0 H GLU A 74 6.711 3.697 -10.949 1.00 0.00 H new ATOM 0 HA GLU A 74 6.325 2.057 -12.398 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.857 3.204 -13.598 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.096 1.792 -14.304 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.000 3.061 -14.621 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.727 4.470 -13.875 1.00 0.00 H new ATOM 1100 N TYR A 75 7.831 0.597 -10.637 1.00 0.00 N ATOM 1101 CA TYR A 75 8.455 -0.593 -10.070 1.00 0.00 C ATOM 1102 C TYR A 75 7.432 -1.439 -9.319 1.00 0.00 C ATOM 1103 O TYR A 75 6.957 -1.055 -8.250 1.00 0.00 O ATOM 1104 CB TYR A 75 9.595 -0.197 -9.130 1.00 0.00 C ATOM 1105 CG TYR A 75 10.919 0.002 -9.834 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.769 -1.071 -10.074 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.320 1.263 -10.258 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.979 -0.893 -10.717 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.527 1.449 -10.902 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.353 0.369 -11.129 1.00 0.00 C ATOM 1111 OH TYR A 75 14.558 0.550 -11.769 1.00 0.00 O ATOM 0 H TYR A 75 7.174 1.066 -10.014 1.00 0.00 H new ATOM 0 HA TYR A 75 8.859 -1.187 -10.890 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.326 0.724 -8.614 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.711 -0.968 -8.368 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.479 -2.060 -9.753 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.677 2.112 -10.081 1.00 0.00 H new ATOM 0 HE1 TYR A 75 13.628 -1.737 -10.896 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.823 2.436 -11.226 1.00 0.00 H new ATOM 0 HH TYR A 75 14.670 1.497 -11.994 1.00 0.00 H new ATOM 1121 N CYS A 76 7.099 -2.594 -9.885 1.00 0.00 N ATOM 1122 CA CYS A 76 6.133 -3.497 -9.270 1.00 0.00 C ATOM 1123 C CYS A 76 6.680 -4.075 -7.969 1.00 0.00 C ATOM 1124 O CYS A 76 7.547 -4.949 -7.982 1.00 0.00 O ATOM 1125 CB CYS A 76 5.775 -4.628 -10.235 1.00 0.00 C ATOM 1126 SG CYS A 76 5.121 -4.065 -11.823 1.00 0.00 S ATOM 0 H CYS A 76 7.484 -2.927 -10.769 1.00 0.00 H new ATOM 0 HA CYS A 76 5.233 -2.926 -9.042 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.664 -5.233 -10.414 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.039 -5.276 -9.760 1.00 0.00 H new ATOM 0 HG CYS A 76 4.850 -5.094 -12.570 1.00 0.00 H new ATOM 1132 N LEU A 77 6.169 -3.580 -6.847 1.00 0.00 N ATOM 1133 CA LEU A 77 6.608 -4.046 -5.536 1.00 0.00 C ATOM 1134 C LEU A 77 5.649 -5.095 -4.982 1.00 0.00 C ATOM 1135 O LEU A 77 5.753 -5.495 -3.823 1.00 0.00 O ATOM 1136 CB LEU A 77 6.713 -2.870 -4.564 1.00 0.00 C ATOM 1137 CG LEU A 77 7.577 -1.695 -5.023 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.635 -0.622 -3.946 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.978 -2.170 -5.380 1.00 0.00 C ATOM 0 H LEU A 77 5.451 -2.856 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 77 7.591 -4.503 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.708 -2.499 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.111 -3.240 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 77 7.123 -1.262 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.254 0.206 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.628 -0.260 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.064 -1.042 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.579 -1.320 -5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.440 -2.629 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.920 -2.902 -6.186 1.00 0.00 H new ATOM 1151 N ASP A 78 4.716 -5.537 -5.819 1.00 0.00 N ATOM 1152 CA ASP A 78 3.740 -6.542 -5.414 1.00 0.00 C ATOM 1153 C ASP A 78 4.436 -7.796 -4.894 1.00 0.00 C ATOM 1154 O ASP A 78 5.432 -8.245 -5.459 1.00 0.00 O ATOM 1155 CB ASP A 78 2.828 -6.900 -6.589 1.00 0.00 C ATOM 1156 CG ASP A 78 2.253 -5.673 -7.270 1.00 0.00 C ATOM 1157 OD1 ASP A 78 3.026 -4.938 -7.918 1.00 0.00 O ATOM 1158 OD2 ASP A 78 1.030 -5.448 -7.154 1.00 0.00 O ATOM 0 H ASP A 78 4.615 -5.215 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 78 3.136 -6.123 -4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.390 -7.486 -7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.013 -7.530 -6.234 1.00 0.00 H new ATOM 1163 N ASN A 79 3.903 -8.356 -3.812 1.00 0.00 N ATOM 1164 CA ASN A 79 4.474 -9.557 -3.214 1.00 0.00 C ATOM 1165 C ASN A 79 5.998 -9.489 -3.204 1.00 0.00 C ATOM 1166 O ASN A 79 6.678 -10.492 -3.425 1.00 0.00 O ATOM 1167 CB ASN A 79 4.013 -10.800 -3.978 1.00 0.00 C ATOM 1168 CG ASN A 79 2.562 -11.144 -3.700 1.00 0.00 C ATOM 1169 OD1 ASN A 79 2.265 -12.017 -2.884 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.651 -10.458 -4.380 1.00 0.00 N ATOM 0 H ASN A 79 3.077 -7.997 -3.332 1.00 0.00 H new ATOM 0 HA ASN A 79 4.125 -9.621 -2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.146 -10.636 -5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.643 -11.646 -3.704 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.659 -10.646 -4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.943 -9.743 -5.046 1.00 0.00 H new ATOM 1177 N THR A 80 6.530 -8.298 -2.945 1.00 0.00 N ATOM 1178 CA THR A 80 7.973 -8.098 -2.906 1.00 0.00 C ATOM 1179 C THR A 80 8.502 -8.185 -1.479 1.00 0.00 C ATOM 1180 O THR A 80 7.816 -7.812 -0.528 1.00 0.00 O ATOM 1181 CB THR A 80 8.367 -6.734 -3.505 1.00 0.00 C ATOM 1182 OG1 THR A 80 7.870 -6.625 -4.843 1.00 0.00 O ATOM 1183 CG2 THR A 80 9.878 -6.559 -3.503 1.00 0.00 C ATOM 0 H THR A 80 5.983 -7.458 -2.759 1.00 0.00 H new ATOM 0 HA THR A 80 8.419 -8.892 -3.505 1.00 0.00 H new ATOM 0 HB THR A 80 7.926 -5.950 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.126 -7.250 -4.967 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.133 -5.589 -3.930 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.249 -6.613 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.337 -7.349 -4.098 1.00 0.00 H new ATOM 1191 N SER A 81 9.727 -8.681 -1.337 1.00 0.00 N ATOM 1192 CA SER A 81 10.348 -8.820 -0.024 1.00 0.00 C ATOM 1193 C SER A 81 10.898 -7.482 0.462 1.00 0.00 C ATOM 1194 O SER A 81 11.511 -6.736 -0.302 1.00 0.00 O ATOM 1195 CB SER A 81 11.471 -9.858 -0.075 1.00 0.00 C ATOM 1196 OG SER A 81 11.004 -11.089 -0.600 1.00 0.00 O ATOM 0 H SER A 81 10.309 -8.993 -2.114 1.00 0.00 H new ATOM 0 HA SER A 81 9.584 -9.155 0.678 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.289 -9.483 -0.690 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.871 -10.015 0.927 1.00 0.00 H new ATOM 0 HG SER A 81 11.741 -11.735 -0.624 1.00 0.00 H new ATOM 1202 N LEU A 82 10.674 -7.186 1.737 1.00 0.00 N ATOM 1203 CA LEU A 82 11.146 -5.938 2.327 1.00 0.00 C ATOM 1204 C LEU A 82 12.490 -5.529 1.731 1.00 0.00 C ATOM 1205 O LEU A 82 12.638 -4.423 1.212 1.00 0.00 O ATOM 1206 CB LEU A 82 11.272 -6.084 3.845 1.00 0.00 C ATOM 1207 CG LEU A 82 11.960 -4.931 4.575 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.238 -3.620 4.302 1.00 0.00 C ATOM 1209 CD2 LEU A 82 12.020 -5.207 6.070 1.00 0.00 C ATOM 0 H LEU A 82 10.169 -7.793 2.382 1.00 0.00 H new ATOM 0 HA LEU A 82 10.417 -5.160 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.273 -6.207 4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.821 -7.001 4.057 1.00 0.00 H new ATOM 0 HG LEU A 82 12.980 -4.846 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.742 -2.810 4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.247 -3.416 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.207 -3.693 4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.513 -4.376 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.008 -5.319 6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.582 -6.124 6.248 1.00 0.00 H new ATOM 1221 N ALA A 83 13.465 -6.429 1.809 1.00 0.00 N ATOM 1222 CA ALA A 83 14.794 -6.163 1.274 1.00 0.00 C ATOM 1223 C ALA A 83 14.714 -5.613 -0.146 1.00 0.00 C ATOM 1224 O ALA A 83 15.309 -4.581 -0.456 1.00 0.00 O ATOM 1225 CB ALA A 83 15.639 -7.428 1.306 1.00 0.00 C ATOM 0 H ALA A 83 13.359 -7.348 2.238 1.00 0.00 H new ATOM 0 HA ALA A 83 15.267 -5.408 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.629 -7.214 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.733 -7.777 2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.161 -8.200 0.703 1.00 0.00 H new ATOM 1231 N GLU A 84 13.977 -6.310 -1.005 1.00 0.00 N ATOM 1232 CA GLU A 84 13.822 -5.891 -2.393 1.00 0.00 C ATOM 1233 C GLU A 84 13.193 -4.504 -2.476 1.00 0.00 C ATOM 1234 O GLU A 84 13.637 -3.654 -3.248 1.00 0.00 O ATOM 1235 CB GLU A 84 12.963 -6.899 -3.160 1.00 0.00 C ATOM 1236 CG GLU A 84 13.764 -8.028 -3.787 1.00 0.00 C ATOM 1237 CD GLU A 84 13.021 -8.712 -4.919 1.00 0.00 C ATOM 1238 OE1 GLU A 84 11.973 -9.334 -4.651 1.00 0.00 O ATOM 1239 OE2 GLU A 84 13.489 -8.623 -6.074 1.00 0.00 O ATOM 0 H GLU A 84 13.478 -7.167 -0.764 1.00 0.00 H new ATOM 0 HA GLU A 84 14.813 -5.849 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.223 -7.323 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.415 -6.375 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.708 -7.633 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.009 -8.764 -3.021 1.00 0.00 H new ATOM 1246 N ALA A 85 12.155 -4.282 -1.675 1.00 0.00 N ATOM 1247 CA ALA A 85 11.466 -2.998 -1.656 1.00 0.00 C ATOM 1248 C ALA A 85 12.430 -1.862 -1.334 1.00 0.00 C ATOM 1249 O ALA A 85 12.507 -0.874 -2.064 1.00 0.00 O ATOM 1250 CB ALA A 85 10.325 -3.027 -0.649 1.00 0.00 C ATOM 0 H ALA A 85 11.773 -4.975 -1.031 1.00 0.00 H new ATOM 0 HA ALA A 85 11.055 -2.819 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.819 -2.062 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.616 -3.807 -0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.722 -3.233 0.345 1.00 0.00 H new ATOM 1256 N VAL A 86 13.164 -2.008 -0.235 1.00 0.00 N ATOM 1257 CA VAL A 86 14.124 -0.994 0.184 1.00 0.00 C ATOM 1258 C VAL A 86 15.165 -0.741 -0.901 1.00 0.00 C ATOM 1259 O VAL A 86 15.477 0.405 -1.220 1.00 0.00 O ATOM 1260 CB VAL A 86 14.842 -1.403 1.484 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.866 -0.351 1.882 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.833 -1.626 2.601 1.00 0.00 C ATOM 0 H VAL A 86 13.112 -2.819 0.381 1.00 0.00 H new ATOM 0 HA VAL A 86 13.560 -0.079 0.362 1.00 0.00 H new ATOM 0 HB VAL A 86 15.369 -2.341 1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.363 -0.657 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.605 -0.244 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.364 0.603 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.357 -1.914 3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.277 -0.705 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.142 -2.418 2.314 1.00 0.00 H new ATOM 1272 N GLU A 87 15.699 -1.821 -1.464 1.00 0.00 N ATOM 1273 CA GLU A 87 16.706 -1.716 -2.513 1.00 0.00 C ATOM 1274 C GLU A 87 16.160 -0.952 -3.717 1.00 0.00 C ATOM 1275 O GLU A 87 16.912 -0.310 -4.451 1.00 0.00 O ATOM 1276 CB GLU A 87 17.170 -3.108 -2.947 1.00 0.00 C ATOM 1277 CG GLU A 87 18.124 -3.765 -1.963 1.00 0.00 C ATOM 1278 CD GLU A 87 18.619 -5.115 -2.445 1.00 0.00 C ATOM 1279 OE1 GLU A 87 17.861 -5.804 -3.159 1.00 0.00 O ATOM 1280 OE2 GLU A 87 19.764 -5.482 -2.107 1.00 0.00 O ATOM 0 H GLU A 87 15.451 -2.778 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 87 17.557 -1.166 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.298 -3.748 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.658 -3.033 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.977 -3.108 -1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.623 -3.887 -1.003 1.00 0.00 H new ATOM 1287 N ILE A 88 14.848 -1.027 -3.912 1.00 0.00 N ATOM 1288 CA ILE A 88 14.201 -0.343 -5.025 1.00 0.00 C ATOM 1289 C ILE A 88 14.094 1.155 -4.762 1.00 0.00 C ATOM 1290 O ILE A 88 14.260 1.969 -5.671 1.00 0.00 O ATOM 1291 CB ILE A 88 12.793 -0.908 -5.292 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.889 -2.291 -5.939 1.00 0.00 C ATOM 1293 CG2 ILE A 88 12.000 0.043 -6.175 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.728 -3.199 -5.600 1.00 0.00 C ATOM 0 H ILE A 88 14.212 -1.554 -3.314 1.00 0.00 H new ATOM 0 HA ILE A 88 14.824 -0.512 -5.904 1.00 0.00 H new ATOM 0 HB ILE A 88 12.271 -1.009 -4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.944 -2.174 -7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.817 -2.768 -5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.007 -0.370 -6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.907 1.009 -5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.517 0.173 -7.126 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.863 -4.162 -6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.685 -3.347 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.798 -2.744 -5.941 1.00 0.00 H new ATOM 1306 N LEU A 89 13.818 1.512 -3.513 1.00 0.00 N ATOM 1307 CA LEU A 89 13.691 2.914 -3.128 1.00 0.00 C ATOM 1308 C LEU A 89 15.059 3.585 -3.056 1.00 0.00 C ATOM 1309 O LEU A 89 15.167 4.809 -3.131 1.00 0.00 O ATOM 1310 CB LEU A 89 12.980 3.030 -1.779 1.00 0.00 C ATOM 1311 CG LEU A 89 11.454 3.105 -1.828 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.862 2.835 -0.453 1.00 0.00 C ATOM 1313 CD2 LEU A 89 11.002 4.461 -2.348 1.00 0.00 C ATOM 0 H LEU A 89 13.678 0.851 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 89 13.098 3.422 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.262 2.173 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.351 3.920 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 89 11.094 2.338 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.775 2.893 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.156 1.840 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.230 3.579 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.913 4.495 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.373 5.246 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.396 4.615 -3.353 1.00 0.00 H new ATOM 1325 N LYS A 90 16.102 2.775 -2.911 1.00 0.00 N ATOM 1326 CA LYS A 90 17.464 3.289 -2.832 1.00 0.00 C ATOM 1327 C LYS A 90 18.067 3.450 -4.224 1.00 0.00 C ATOM 1328 O LYS A 90 18.831 4.381 -4.475 1.00 0.00 O ATOM 1329 CB LYS A 90 18.336 2.352 -1.992 1.00 0.00 C ATOM 1330 CG LYS A 90 18.016 2.390 -0.508 1.00 0.00 C ATOM 1331 CD LYS A 90 18.774 1.315 0.253 1.00 0.00 C ATOM 1332 CE LYS A 90 19.025 1.727 1.696 1.00 0.00 C ATOM 1333 NZ LYS A 90 17.770 2.138 2.382 1.00 0.00 N ATOM 0 H LYS A 90 16.030 1.760 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 90 17.429 4.269 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.213 1.332 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.383 2.618 -2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.270 3.370 -0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.944 2.253 -0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 90 18.207 0.384 0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.725 1.120 -0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 90 19.479 0.897 2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 90 19.738 2.551 1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 17.829 3.143 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.962 1.992 1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.640 1.566 3.241 1.00 0.00 H new ATOM 1347 N ALA A 91 17.716 2.538 -5.125 1.00 0.00 N ATOM 1348 CA ALA A 91 18.220 2.582 -6.492 1.00 0.00 C ATOM 1349 C ALA A 91 17.480 3.632 -7.316 1.00 0.00 C ATOM 1350 O ALA A 91 17.967 4.074 -8.356 1.00 0.00 O ATOM 1351 CB ALA A 91 18.096 1.213 -7.144 1.00 0.00 C ATOM 0 H ALA A 91 17.085 1.760 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 91 19.273 2.861 -6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.476 1.260 -8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.674 0.485 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 91 17.049 0.911 -7.160 1.00 0.00 H new ATOM 1357 N VAL A 92 16.302 4.025 -6.844 1.00 0.00 N ATOM 1358 CA VAL A 92 15.495 5.023 -7.537 1.00 0.00 C ATOM 1359 C VAL A 92 16.240 6.348 -7.651 1.00 0.00 C ATOM 1360 O VAL A 92 16.790 6.865 -6.678 1.00 0.00 O ATOM 1361 CB VAL A 92 14.154 5.259 -6.817 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.374 6.014 -5.515 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.189 6.010 -7.722 1.00 0.00 C ATOM 0 H VAL A 92 15.885 3.668 -5.985 1.00 0.00 H new ATOM 0 HA VAL A 92 15.298 4.634 -8.536 1.00 0.00 H new ATOM 0 HB VAL A 92 13.713 4.291 -6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.416 6.172 -5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 92 15.028 5.434 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.836 6.978 -5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.247 6.168 -7.198 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.620 6.974 -7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 92 13.008 5.427 -8.625 1.00 0.00 H new ATOM 1373 N PRO A 93 16.258 6.914 -8.867 1.00 0.00 N ATOM 1374 CA PRO A 93 16.931 8.188 -9.137 1.00 0.00 C ATOM 1375 C PRO A 93 16.216 9.370 -8.491 1.00 0.00 C ATOM 1376 O PRO A 93 15.031 9.305 -8.162 1.00 0.00 O ATOM 1377 CB PRO A 93 16.878 8.300 -10.663 1.00 0.00 C ATOM 1378 CG PRO A 93 15.698 7.482 -11.062 1.00 0.00 C ATOM 1379 CD PRO A 93 15.623 6.353 -10.071 1.00 0.00 C ATOM 0 HA PRO A 93 17.941 8.210 -8.729 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.767 9.337 -10.980 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.793 7.924 -11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.786 8.078 -11.044 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.811 7.103 -12.078 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.592 6.054 -9.880 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.150 5.469 -10.429 1.00 0.00 H new ATOM 1387 N PRO A 94 16.950 10.476 -8.304 1.00 0.00 N ATOM 1388 CA PRO A 94 16.406 11.694 -7.696 1.00 0.00 C ATOM 1389 C PRO A 94 15.402 12.396 -8.604 1.00 0.00 C ATOM 1390 O PRO A 94 15.276 12.063 -9.781 1.00 0.00 O ATOM 1391 CB PRO A 94 17.644 12.571 -7.489 1.00 0.00 C ATOM 1392 CG PRO A 94 18.618 12.098 -8.512 1.00 0.00 C ATOM 1393 CD PRO A 94 18.369 10.624 -8.672 1.00 0.00 C ATOM 0 HA PRO A 94 15.859 11.482 -6.777 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.409 13.627 -7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 94 18.044 12.460 -6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.476 12.622 -9.457 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.643 12.288 -8.192 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.556 10.293 -9.694 1.00 0.00 H new ATOM 0 HD3 PRO A 94 19.016 10.034 -8.023 1.00 0.00 H new ATOM 1401 N GLY A 95 14.688 13.370 -8.048 1.00 0.00 N ATOM 1402 CA GLY A 95 13.704 14.104 -8.822 1.00 0.00 C ATOM 1403 C GLY A 95 12.291 13.615 -8.576 1.00 0.00 C ATOM 1404 O GLY A 95 12.024 12.939 -7.582 1.00 0.00 O ATOM 0 H GLY A 95 14.774 13.664 -7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.767 15.163 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.938 14.011 -9.883 1.00 0.00 H new ATOM 1408 N LEU A 96 11.382 13.958 -9.482 1.00 0.00 N ATOM 1409 CA LEU A 96 9.987 13.550 -9.358 1.00 0.00 C ATOM 1410 C LEU A 96 9.877 12.049 -9.111 1.00 0.00 C ATOM 1411 O LEU A 96 10.579 11.254 -9.736 1.00 0.00 O ATOM 1412 CB LEU A 96 9.210 13.929 -10.621 1.00 0.00 C ATOM 1413 CG LEU A 96 7.687 13.964 -10.487 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.147 12.578 -10.174 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.270 14.957 -9.411 1.00 0.00 C ATOM 0 H LEU A 96 11.586 14.517 -10.310 1.00 0.00 H new ATOM 0 HA LEU A 96 9.557 14.072 -8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.548 14.911 -10.950 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.469 13.222 -11.409 1.00 0.00 H new ATOM 0 HG LEU A 96 7.264 14.289 -11.438 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.062 12.623 -10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.415 11.893 -10.978 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.576 12.223 -9.237 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.183 14.969 -9.329 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.703 14.661 -8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.625 15.953 -9.677 1.00 0.00 H new ATOM 1427 N VAL A 97 8.991 11.668 -8.197 1.00 0.00 N ATOM 1428 CA VAL A 97 8.787 10.262 -7.869 1.00 0.00 C ATOM 1429 C VAL A 97 7.315 9.881 -7.974 1.00 0.00 C ATOM 1430 O VAL A 97 6.502 10.265 -7.132 1.00 0.00 O ATOM 1431 CB VAL A 97 9.291 9.937 -6.450 1.00 0.00 C ATOM 1432 CG1 VAL A 97 8.993 8.488 -6.096 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.779 10.228 -6.334 1.00 0.00 C ATOM 0 H VAL A 97 8.403 12.313 -7.670 1.00 0.00 H new ATOM 0 HA VAL A 97 9.361 9.682 -8.592 1.00 0.00 H new ATOM 0 HB VAL A 97 8.763 10.575 -5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.356 8.277 -5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.917 8.317 -6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.492 7.830 -6.807 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.118 9.993 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.326 9.618 -7.052 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.961 11.283 -6.541 1.00 0.00 H new ATOM 1443 N HIS A 98 6.977 9.123 -9.012 1.00 0.00 N ATOM 1444 CA HIS A 98 5.602 8.689 -9.226 1.00 0.00 C ATOM 1445 C HIS A 98 5.361 7.318 -8.600 1.00 0.00 C ATOM 1446 O HIS A 98 5.751 6.292 -9.158 1.00 0.00 O ATOM 1447 CB HIS A 98 5.287 8.642 -10.722 1.00 0.00 C ATOM 1448 CG HIS A 98 5.013 9.988 -11.319 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.702 10.483 -12.406 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.118 10.943 -10.976 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.244 11.685 -12.704 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.282 11.988 -11.852 1.00 0.00 N ATOM 0 H HIS A 98 7.637 8.797 -9.718 1.00 0.00 H new ATOM 0 HA HIS A 98 4.940 9.410 -8.745 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.125 8.185 -11.247 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.421 7.999 -10.883 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.407 10.893 -10.165 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.597 12.314 -13.508 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.748 12.857 -11.845 1.00 0.00 H new ATOM 1461 N LEU A 99 4.716 7.309 -7.439 1.00 0.00 N ATOM 1462 CA LEU A 99 4.424 6.065 -6.736 1.00 0.00 C ATOM 1463 C LEU A 99 2.952 5.995 -6.341 1.00 0.00 C ATOM 1464 O LEU A 99 2.364 6.990 -5.920 1.00 0.00 O ATOM 1465 CB LEU A 99 5.304 5.940 -5.491 1.00 0.00 C ATOM 1466 CG LEU A 99 5.274 7.126 -4.526 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.066 7.037 -3.607 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.560 7.187 -3.715 1.00 0.00 C ATOM 0 H LEU A 99 4.385 8.149 -6.964 1.00 0.00 H new ATOM 0 HA LEU A 99 4.640 5.237 -7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.002 5.046 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.334 5.785 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 99 5.193 8.042 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.062 7.889 -2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.154 7.044 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.115 6.114 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.521 8.037 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.672 6.267 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.410 7.301 -4.388 1.00 0.00 H new ATOM 1480 N GLY A 100 2.362 4.812 -6.480 1.00 0.00 N ATOM 1481 CA GLY A 100 0.965 4.633 -6.132 1.00 0.00 C ATOM 1482 C GLY A 100 0.773 4.259 -4.676 1.00 0.00 C ATOM 1483 O GLY A 100 1.675 3.704 -4.047 1.00 0.00 O ATOM 0 H GLY A 100 2.827 3.974 -6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.421 5.554 -6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.533 3.856 -6.763 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.403 4.563 -4.138 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.709 4.255 -2.746 1.00 0.00 C ATOM 1489 C ILE A 101 -2.112 3.674 -2.608 1.00 0.00 C ATOM 1490 O ILE A 101 -2.938 3.797 -3.513 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.592 5.505 -1.854 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.816 6.096 -1.948 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.933 5.160 -0.412 1.00 0.00 C ATOM 1494 CD1 ILE A 101 1.900 5.153 -1.476 1.00 0.00 C ATOM 0 H ILE A 101 -1.160 5.022 -4.645 1.00 0.00 H new ATOM 0 HA ILE A 101 0.022 3.516 -2.418 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.303 6.252 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.015 6.377 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.858 7.010 -1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.846 6.053 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.954 4.781 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.244 4.398 -0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.871 5.638 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.726 4.892 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 101 1.885 4.248 -2.084 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.375 3.043 -1.469 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.679 2.443 -1.210 1.00 0.00 C ATOM 1508 C CYS A 102 -4.183 2.817 0.180 1.00 0.00 C ATOM 1509 O CYS A 102 -3.731 2.267 1.184 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.600 0.922 -1.346 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.791 0.321 -3.040 1.00 0.00 S ATOM 0 H CYS A 102 -1.702 2.934 -0.710 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.382 2.830 -1.947 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.640 0.583 -0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.373 0.472 -0.723 1.00 0.00 H new ATOM 0 HG CYS A 102 -3.707 -0.976 -3.052 1.00 0.00 H new ATOM 1517 N SER A 103 -5.122 3.757 0.230 1.00 0.00 N ATOM 1518 CA SER A 103 -5.684 4.208 1.498 1.00 0.00 C ATOM 1519 C SER A 103 -5.935 3.028 2.432 1.00 0.00 C ATOM 1520 O SER A 103 -6.648 2.087 2.084 1.00 0.00 O ATOM 1521 CB SER A 103 -6.989 4.970 1.259 1.00 0.00 C ATOM 1522 OG SER A 103 -7.644 5.256 2.482 1.00 0.00 O ATOM 0 H SER A 103 -5.509 4.221 -0.592 1.00 0.00 H new ATOM 0 HA SER A 103 -4.963 4.875 1.970 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.779 5.899 0.729 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.646 4.380 0.620 1.00 0.00 H new ATOM 0 HG SER A 103 -8.474 5.745 2.302 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.343 3.086 3.621 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.514 2.017 4.587 1.00 0.00 C ATOM 1530 C GLY A 104 -6.113 2.504 5.892 1.00 0.00 C ATOM 1531 O GLY A 104 -6.795 3.528 5.942 1.00 0.00 O ATOM 0 H GLY A 104 -4.748 3.854 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.157 1.246 4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.548 1.553 4.785 1.00 0.00 H new