USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=17 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 170:sc= -0.929 USER MOD Single : A 17 LYS NZ :NH3+ -143:sc= -0.05 (180deg=-1.09) USER MOD Single : A 23 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0.556) USER MOD Single : A 25 CYS SG : rot -37:sc= 0.665 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -2.09 K(o=-2.1,f=-0.34) USER MOD Single : A 42 THR OG1 : rot -14:sc= 0.873 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 -62:sc= -1.11! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -4.36! C(o=-4.4!,f=-8.5!) 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= -0.814 K(o=-0.81,f=-6.7!) USER MOD Single : A 80 THR OG1 : rot 18:sc= -2.86! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-1.8) USER MOD Single : A 102 CYS SG : rot -86:sc= 0.122 USER MOD Single : A 103 SER OG : rot 21:sc= 0.72! USER MOD ----------------------------------------------------------------- ATOM 129 N TRP A 12 -7.529 -2.368 2.207 1.00 0.00 N ATOM 130 CA TRP A 12 -7.264 -1.147 1.453 1.00 0.00 C ATOM 131 C TRP A 12 -8.312 -0.941 0.366 1.00 0.00 C ATOM 132 O TRP A 12 -9.247 -1.731 0.233 1.00 0.00 O ATOM 133 CB TRP A 12 -5.868 -1.201 0.830 1.00 0.00 C ATOM 134 CG TRP A 12 -4.790 -1.533 1.817 1.00 0.00 C ATOM 135 CD1 TRP A 12 -3.987 -0.650 2.481 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.396 -2.840 2.248 1.00 0.00 C ATOM 137 NE1 TRP A 12 -3.117 -1.330 3.299 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.349 -2.675 3.176 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.828 -4.134 1.944 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.728 -3.755 3.798 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -4.211 -5.205 2.562 1.00 0.00 C ATOM 142 CH2 TRP A 12 -3.171 -5.010 3.480 1.00 0.00 C ATOM 0 HA TRP A 12 -7.314 -0.305 2.143 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.862 -1.944 0.033 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.646 -0.238 0.370 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.030 0.424 2.378 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.413 -0.903 3.900 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.630 -4.294 1.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.926 -3.607 4.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.536 -6.209 2.333 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.709 -5.868 3.946 1.00 0.00 H new ATOM 153 N SER A 13 -8.151 0.126 -0.411 1.00 0.00 N ATOM 154 CA SER A 13 -9.086 0.437 -1.486 1.00 0.00 C ATOM 155 C SER A 13 -8.512 0.033 -2.840 1.00 0.00 C ATOM 156 O SER A 13 -7.317 0.170 -3.102 1.00 0.00 O ATOM 157 CB SER A 13 -9.418 1.931 -1.485 1.00 0.00 C ATOM 158 OG SER A 13 -10.598 2.192 -2.224 1.00 0.00 O ATOM 0 H SER A 13 -7.382 0.789 -0.316 1.00 0.00 H new ATOM 0 HA SER A 13 -10.000 -0.132 -1.315 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.543 2.278 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.586 2.492 -1.912 1.00 0.00 H new ATOM 0 HG SER A 13 -10.878 3.119 -2.076 1.00 0.00 H new ATOM 164 N PRO A 14 -9.383 -0.479 -3.722 1.00 0.00 N ATOM 165 CA PRO A 14 -8.987 -0.913 -5.065 1.00 0.00 C ATOM 166 C PRO A 14 -8.611 0.258 -5.966 1.00 0.00 C ATOM 167 O PRO A 14 -8.241 0.067 -7.124 1.00 0.00 O ATOM 168 CB PRO A 14 -10.240 -1.616 -5.595 1.00 0.00 C ATOM 169 CG PRO A 14 -11.367 -1.000 -4.840 1.00 0.00 C ATOM 170 CD PRO A 14 -10.822 -0.671 -3.477 1.00 0.00 C ATOM 0 HA PRO A 14 -8.102 -1.549 -5.043 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.354 -1.466 -6.669 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.192 -2.692 -5.427 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.729 -0.103 -5.342 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.210 -1.687 -4.768 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.283 0.227 -3.066 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.005 -1.477 -2.766 1.00 0.00 H new ATOM 178 N GLU A 15 -8.710 1.469 -5.427 1.00 0.00 N ATOM 179 CA GLU A 15 -8.380 2.671 -6.185 1.00 0.00 C ATOM 180 C GLU A 15 -7.044 3.251 -5.731 1.00 0.00 C ATOM 181 O GLU A 15 -6.968 3.946 -4.718 1.00 0.00 O ATOM 182 CB GLU A 15 -9.483 3.719 -6.026 1.00 0.00 C ATOM 183 CG GLU A 15 -9.553 4.323 -4.634 1.00 0.00 C ATOM 184 CD GLU A 15 -10.951 4.782 -4.266 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.909 4.377 -4.958 1.00 0.00 O ATOM 186 OE2 GLU A 15 -11.087 5.546 -3.288 1.00 0.00 O ATOM 0 H GLU A 15 -9.016 1.644 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.298 2.396 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.322 4.517 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.444 3.262 -6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.213 3.587 -3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.869 5.170 -4.575 1.00 0.00 H new ATOM 193 N VAL A 16 -5.991 2.958 -6.488 1.00 0.00 N ATOM 194 CA VAL A 16 -4.657 3.450 -6.165 1.00 0.00 C ATOM 195 C VAL A 16 -4.481 4.897 -6.614 1.00 0.00 C ATOM 196 O VAL A 16 -4.944 5.287 -7.686 1.00 0.00 O ATOM 197 CB VAL A 16 -3.565 2.584 -6.821 1.00 0.00 C ATOM 198 CG1 VAL A 16 -3.736 2.564 -8.332 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.182 3.091 -6.439 1.00 0.00 C ATOM 0 H VAL A 16 -6.036 2.383 -7.329 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.553 3.394 -5.081 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.666 1.563 -6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.956 1.947 -8.778 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.713 2.150 -8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.662 3.580 -8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.423 2.468 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.066 4.121 -6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.065 3.048 -5.356 1.00 0.00 H new ATOM 209 N LYS A 17 -3.808 5.689 -5.787 1.00 0.00 N ATOM 210 CA LYS A 17 -3.567 7.093 -6.098 1.00 0.00 C ATOM 211 C LYS A 17 -2.079 7.359 -6.299 1.00 0.00 C ATOM 212 O LYS A 17 -1.243 6.859 -5.546 1.00 0.00 O ATOM 213 CB LYS A 17 -4.109 7.985 -4.978 1.00 0.00 C ATOM 214 CG LYS A 17 -3.777 7.481 -3.585 1.00 0.00 C ATOM 215 CD LYS A 17 -3.945 8.573 -2.542 1.00 0.00 C ATOM 216 CE LYS A 17 -3.163 8.259 -1.275 1.00 0.00 C ATOM 217 NZ LYS A 17 -1.731 8.652 -1.395 1.00 0.00 N ATOM 0 H LYS A 17 -3.419 5.382 -4.895 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.088 7.328 -7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.705 8.990 -5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.192 8.063 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.423 6.639 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.751 7.112 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.608 9.525 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.002 8.687 -2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.614 8.782 -0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.230 7.192 -1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.137 7.951 -0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.465 8.693 -2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.590 9.587 -0.962 1.00 0.00 H new ATOM 231 N ILE A 18 -1.756 8.150 -7.317 1.00 0.00 N ATOM 232 CA ILE A 18 -0.369 8.484 -7.614 1.00 0.00 C ATOM 233 C ILE A 18 0.054 9.763 -6.900 1.00 0.00 C ATOM 234 O ILE A 18 -0.533 10.825 -7.107 1.00 0.00 O ATOM 235 CB ILE A 18 -0.143 8.655 -9.128 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.501 7.365 -9.868 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.300 9.050 -9.407 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.429 6.213 -9.559 1.00 0.00 C ATOM 0 H ILE A 18 -2.436 8.571 -7.950 1.00 0.00 H new ATOM 0 HA ILE A 18 0.239 7.653 -7.256 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.793 9.451 -9.490 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.520 7.078 -9.609 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.486 7.555 -10.941 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.444 9.167 -10.481 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.523 9.992 -8.906 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.968 8.274 -9.034 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.115 5.332 -10.118 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.447 6.480 -9.844 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.397 5.996 -8.491 1.00 0.00 H new ATOM 250 N VAL A 19 1.078 9.654 -6.059 1.00 0.00 N ATOM 251 CA VAL A 19 1.582 10.803 -5.316 1.00 0.00 C ATOM 252 C VAL A 19 2.919 11.275 -5.875 1.00 0.00 C ATOM 253 O VAL A 19 3.861 10.493 -5.999 1.00 0.00 O ATOM 254 CB VAL A 19 1.750 10.474 -3.821 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.467 11.607 -3.102 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.398 10.197 -3.181 1.00 0.00 C ATOM 0 H VAL A 19 1.574 8.782 -5.875 1.00 0.00 H new ATOM 0 HA VAL A 19 0.845 11.599 -5.425 1.00 0.00 H new ATOM 0 HB VAL A 19 2.360 9.575 -3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.577 11.357 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.452 11.753 -3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.886 12.524 -3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.536 9.966 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.239 11.076 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.073 9.350 -3.679 1.00 0.00 H new ATOM 266 N GLU A 20 2.994 12.559 -6.210 1.00 0.00 N ATOM 267 CA GLU A 20 4.218 13.135 -6.756 1.00 0.00 C ATOM 268 C GLU A 20 5.191 13.504 -5.640 1.00 0.00 C ATOM 269 O GLU A 20 5.005 14.502 -4.943 1.00 0.00 O ATOM 270 CB GLU A 20 3.894 14.373 -7.595 1.00 0.00 C ATOM 271 CG GLU A 20 3.580 14.058 -9.048 1.00 0.00 C ATOM 272 CD GLU A 20 2.112 13.757 -9.276 1.00 0.00 C ATOM 273 OE1 GLU A 20 1.669 12.649 -8.906 1.00 0.00 O ATOM 274 OE2 GLU A 20 1.405 14.629 -9.823 1.00 0.00 O ATOM 0 H GLU A 20 2.223 13.220 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 20 4.690 12.386 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.043 14.889 -7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.739 15.060 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.875 14.903 -9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.176 13.203 -9.367 1.00 0.00 H new ATOM 281 N LEU A 21 6.229 12.691 -5.477 1.00 0.00 N ATOM 282 CA LEU A 21 7.233 12.930 -4.446 1.00 0.00 C ATOM 283 C LEU A 21 8.560 13.356 -5.066 1.00 0.00 C ATOM 284 O LEU A 21 9.108 12.663 -5.923 1.00 0.00 O ATOM 285 CB LEU A 21 7.433 11.672 -3.599 1.00 0.00 C ATOM 286 CG LEU A 21 6.377 11.411 -2.525 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.900 10.429 -1.489 1.00 0.00 C ATOM 288 CD2 LEU A 21 5.957 12.715 -1.862 1.00 0.00 C ATOM 0 H LEU A 21 6.397 11.861 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 21 6.876 13.738 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.465 10.810 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.407 11.736 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 21 5.502 10.971 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.134 10.256 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.150 9.486 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.791 10.840 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.205 12.510 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.825 13.183 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.540 13.387 -2.612 1.00 0.00 H new ATOM 300 N VAL A 22 9.074 14.500 -4.624 1.00 0.00 N ATOM 301 CA VAL A 22 10.339 15.017 -5.133 1.00 0.00 C ATOM 302 C VAL A 22 11.511 14.531 -4.288 1.00 0.00 C ATOM 303 O VAL A 22 11.778 15.065 -3.211 1.00 0.00 O ATOM 304 CB VAL A 22 10.345 16.557 -5.163 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.732 17.079 -5.505 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.312 17.074 -6.152 1.00 0.00 C ATOM 0 H VAL A 22 8.634 15.086 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 22 10.448 14.641 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 22 10.080 16.924 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.717 18.169 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.445 16.737 -4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.030 16.705 -6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.330 18.164 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.544 16.700 -7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.321 16.730 -5.856 1.00 0.00 H new ATOM 316 N LYS A 23 12.209 13.514 -4.783 1.00 0.00 N ATOM 317 CA LYS A 23 13.354 12.956 -4.075 1.00 0.00 C ATOM 318 C LYS A 23 14.521 13.939 -4.067 1.00 0.00 C ATOM 319 O LYS A 23 14.807 14.585 -5.075 1.00 0.00 O ATOM 320 CB LYS A 23 13.788 11.639 -4.723 1.00 0.00 C ATOM 321 CG LYS A 23 15.108 11.106 -4.193 1.00 0.00 C ATOM 322 CD LYS A 23 15.292 9.636 -4.533 1.00 0.00 C ATOM 323 CE LYS A 23 16.764 9.277 -4.673 1.00 0.00 C ATOM 324 NZ LYS A 23 17.023 7.855 -4.316 1.00 0.00 N ATOM 0 H LYS A 23 12.001 13.060 -5.672 1.00 0.00 H new ATOM 0 HA LYS A 23 13.055 12.766 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.012 10.891 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.870 11.784 -5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.930 11.684 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.147 11.238 -3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.839 9.022 -3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.771 9.408 -5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.086 9.459 -5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.359 9.927 -4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.002 7.754 -3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.367 7.561 -3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.881 7.255 -5.154 1.00 0.00 H new ATOM 338 N ASP A 24 15.190 14.046 -2.924 1.00 0.00 N ATOM 339 CA ASP A 24 16.327 14.948 -2.786 1.00 0.00 C ATOM 340 C ASP A 24 17.637 14.168 -2.735 1.00 0.00 C ATOM 341 O ASP A 24 17.641 12.955 -2.521 1.00 0.00 O ATOM 342 CB ASP A 24 16.178 15.801 -1.525 1.00 0.00 C ATOM 343 CG ASP A 24 17.274 16.841 -1.397 1.00 0.00 C ATOM 344 OD1 ASP A 24 17.354 17.731 -2.269 1.00 0.00 O ATOM 345 OD2 ASP A 24 18.052 16.765 -0.423 1.00 0.00 O ATOM 0 H ASP A 24 14.964 13.519 -2.080 1.00 0.00 H new ATOM 0 HA ASP A 24 16.348 15.602 -3.658 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.208 16.299 -1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.191 15.154 -0.648 1.00 0.00 H new ATOM 350 N CYS A 25 18.747 14.871 -2.933 1.00 0.00 N ATOM 351 CA CYS A 25 20.063 14.244 -2.912 1.00 0.00 C ATOM 352 C CYS A 25 20.119 13.132 -1.869 1.00 0.00 C ATOM 353 O CYS A 25 20.619 12.039 -2.137 1.00 0.00 O ATOM 354 CB CYS A 25 21.143 15.287 -2.621 1.00 0.00 C ATOM 355 SG CYS A 25 20.993 16.072 -0.999 1.00 0.00 S ATOM 0 H CYS A 25 18.761 15.875 -3.110 1.00 0.00 H new ATOM 0 HA CYS A 25 20.245 13.806 -3.894 1.00 0.00 H new ATOM 0 HB2 CYS A 25 22.121 14.812 -2.694 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.105 16.058 -3.391 1.00 0.00 H new ATOM 0 HG CYS A 25 19.736 16.245 -0.715 1.00 0.00 H new ATOM 361 N LYS A 26 19.604 13.418 -0.678 1.00 0.00 N ATOM 362 CA LYS A 26 19.595 12.443 0.406 1.00 0.00 C ATOM 363 C LYS A 26 18.671 11.275 0.079 1.00 0.00 C ATOM 364 O LYS A 26 19.003 10.118 0.333 1.00 0.00 O ATOM 365 CB LYS A 26 19.152 13.107 1.712 1.00 0.00 C ATOM 366 CG LYS A 26 17.697 13.541 1.711 1.00 0.00 C ATOM 367 CD LYS A 26 17.259 14.026 3.083 1.00 0.00 C ATOM 368 CE LYS A 26 17.855 15.386 3.410 1.00 0.00 C ATOM 369 NZ LYS A 26 17.718 15.719 4.855 1.00 0.00 N ATOM 0 H LYS A 26 19.187 14.318 -0.439 1.00 0.00 H new ATOM 0 HA LYS A 26 20.608 12.060 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.315 12.412 2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.782 13.977 1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.554 14.337 0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.068 12.707 1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.171 14.086 3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.563 13.303 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.909 15.396 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.361 16.152 2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.136 16.654 5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.711 15.734 5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.211 15.002 5.425 1.00 0.00 H new ATOM 383 N GLY A 27 17.509 11.585 -0.488 1.00 0.00 N ATOM 384 CA GLY A 27 16.556 10.549 -0.841 1.00 0.00 C ATOM 385 C GLY A 27 15.151 10.869 -0.369 1.00 0.00 C ATOM 386 O GLY A 27 14.758 12.034 -0.308 1.00 0.00 O ATOM 0 H GLY A 27 17.211 12.535 -0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.551 10.417 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.875 9.602 -0.406 1.00 0.00 H new ATOM 390 N LEU A 28 14.390 9.831 -0.037 1.00 0.00 N ATOM 391 CA LEU A 28 13.019 10.006 0.430 1.00 0.00 C ATOM 392 C LEU A 28 12.988 10.315 1.923 1.00 0.00 C ATOM 393 O LEU A 28 14.031 10.476 2.556 1.00 0.00 O ATOM 394 CB LEU A 28 12.196 8.750 0.140 1.00 0.00 C ATOM 395 CG LEU A 28 11.814 8.521 -1.323 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.425 9.834 -1.985 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.960 7.861 -2.076 1.00 0.00 C ATOM 0 H LEU A 28 14.699 8.860 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 28 12.584 10.849 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.758 7.883 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.281 8.795 0.731 1.00 0.00 H new ATOM 0 HG LEU A 28 10.953 7.853 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.156 9.651 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.573 10.267 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.266 10.526 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.671 7.706 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.839 8.504 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.192 6.900 -1.616 1.00 0.00 H new ATOM 409 N GLY A 29 11.784 10.394 2.482 1.00 0.00 N ATOM 410 CA GLY A 29 11.639 10.680 3.897 1.00 0.00 C ATOM 411 C GLY A 29 10.603 9.799 4.564 1.00 0.00 C ATOM 412 O GLY A 29 9.932 10.221 5.507 1.00 0.00 O ATOM 0 H GLY A 29 10.906 10.265 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.600 10.544 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.359 11.726 4.026 1.00 0.00 H new ATOM 416 N PHE A 30 10.468 8.571 4.073 1.00 0.00 N ATOM 417 CA PHE A 30 9.503 7.628 4.627 1.00 0.00 C ATOM 418 C PHE A 30 10.091 6.222 4.690 1.00 0.00 C ATOM 419 O PHE A 30 11.082 5.921 4.024 1.00 0.00 O ATOM 420 CB PHE A 30 8.225 7.621 3.785 1.00 0.00 C ATOM 421 CG PHE A 30 8.468 7.346 2.329 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.828 8.370 1.467 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.337 6.064 1.821 1.00 0.00 C ATOM 424 CE1 PHE A 30 9.051 8.120 0.127 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.559 5.807 0.481 1.00 0.00 C ATOM 426 CZ PHE A 30 8.918 6.836 -0.367 1.00 0.00 C ATOM 0 H PHE A 30 11.014 8.206 3.293 1.00 0.00 H new ATOM 0 HA PHE A 30 9.261 7.947 5.641 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.543 6.868 4.180 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.727 8.586 3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.935 9.375 1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.058 5.255 2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.329 8.927 -0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.452 4.803 0.098 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.094 6.638 -1.414 1.00 0.00 H new ATOM 436 N SER A 31 9.474 5.364 5.497 1.00 0.00 N ATOM 437 CA SER A 31 9.938 3.991 5.652 1.00 0.00 C ATOM 438 C SER A 31 8.919 3.006 5.087 1.00 0.00 C ATOM 439 O SER A 31 7.815 3.391 4.703 1.00 0.00 O ATOM 440 CB SER A 31 10.199 3.682 7.127 1.00 0.00 C ATOM 441 OG SER A 31 11.532 4.004 7.488 1.00 0.00 O ATOM 0 H SER A 31 8.651 5.596 6.053 1.00 0.00 H new ATOM 0 HA SER A 31 10.869 3.883 5.095 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.504 4.247 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.012 2.625 7.319 1.00 0.00 H new ATOM 0 HG SER A 31 11.673 3.799 8.436 1.00 0.00 H new ATOM 447 N ILE A 32 9.299 1.734 5.039 1.00 0.00 N ATOM 448 CA ILE A 32 8.419 0.693 4.523 1.00 0.00 C ATOM 449 C ILE A 32 8.678 -0.640 5.217 1.00 0.00 C ATOM 450 O ILE A 32 9.770 -0.884 5.730 1.00 0.00 O ATOM 451 CB ILE A 32 8.594 0.511 3.003 1.00 0.00 C ATOM 452 CG1 ILE A 32 10.063 0.691 2.612 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.714 1.494 2.247 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.440 -0.024 1.334 1.00 0.00 C ATOM 0 H ILE A 32 10.211 1.399 5.351 1.00 0.00 H new ATOM 0 HA ILE A 32 7.397 1.013 4.727 1.00 0.00 H new ATOM 0 HB ILE A 32 8.288 -0.500 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.273 1.755 2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.694 0.326 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.849 1.353 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.670 1.322 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.992 2.513 2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.495 0.148 1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.262 -1.093 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.835 0.358 0.512 1.00 0.00 H new ATOM 466 N LEU A 33 7.666 -1.501 5.227 1.00 0.00 N ATOM 467 CA LEU A 33 7.784 -2.812 5.856 1.00 0.00 C ATOM 468 C LEU A 33 7.033 -3.870 5.054 1.00 0.00 C ATOM 469 O LEU A 33 6.330 -3.553 4.094 1.00 0.00 O ATOM 470 CB LEU A 33 7.245 -2.763 7.287 1.00 0.00 C ATOM 471 CG LEU A 33 5.749 -3.031 7.450 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.401 -3.239 8.916 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.934 -1.887 6.864 1.00 0.00 C ATOM 0 H LEU A 33 6.755 -1.315 4.807 1.00 0.00 H new ATOM 0 HA LEU A 33 8.840 -3.082 5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.792 -3.492 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.465 -1.780 7.703 1.00 0.00 H new ATOM 0 HG LEU A 33 5.502 -3.942 6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.332 -3.428 9.013 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.957 -4.092 9.305 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.664 -2.346 9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.872 -2.096 6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.185 -0.960 7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.161 -1.785 5.803 1.00 0.00 H new ATOM 485 N ASP A 34 7.185 -5.128 5.455 1.00 0.00 N ATOM 486 CA ASP A 34 6.519 -6.233 4.776 1.00 0.00 C ATOM 487 C ASP A 34 5.284 -6.681 5.551 1.00 0.00 C ATOM 488 O ASP A 34 5.367 -7.009 6.735 1.00 0.00 O ATOM 489 CB ASP A 34 7.482 -7.408 4.603 1.00 0.00 C ATOM 490 CG ASP A 34 7.957 -7.968 5.929 1.00 0.00 C ATOM 491 OD1 ASP A 34 8.849 -7.351 6.548 1.00 0.00 O ATOM 492 OD2 ASP A 34 7.437 -9.024 6.348 1.00 0.00 O ATOM 0 H ASP A 34 7.764 -5.407 6.247 1.00 0.00 H new ATOM 0 HA ASP A 34 6.203 -5.885 3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.989 -8.197 4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.344 -7.085 4.019 1.00 0.00 H new ATOM 497 N TYR A 35 4.140 -6.693 4.876 1.00 0.00 N ATOM 498 CA TYR A 35 2.887 -7.098 5.502 1.00 0.00 C ATOM 499 C TYR A 35 2.366 -8.395 4.890 1.00 0.00 C ATOM 500 O TYR A 35 2.683 -8.725 3.747 1.00 0.00 O ATOM 501 CB TYR A 35 1.839 -5.994 5.354 1.00 0.00 C ATOM 502 CG TYR A 35 0.806 -5.988 6.458 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.202 -6.944 6.498 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.837 -5.027 7.461 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.149 -6.942 7.505 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.105 -5.018 8.472 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.095 -5.978 8.489 1.00 0.00 C ATOM 508 OH TYR A 35 -2.036 -5.972 9.494 1.00 0.00 O ATOM 0 H TYR A 35 4.055 -6.427 3.895 1.00 0.00 H new ATOM 0 HA TYR A 35 3.078 -7.269 6.561 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.342 -5.027 5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.333 -6.111 4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.246 -7.701 5.729 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.611 -4.274 7.450 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.927 -7.691 7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.066 -4.264 9.244 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.855 -5.229 10.107 1.00 0.00 H new ATOM 518 N GLN A 36 1.565 -9.124 5.659 1.00 0.00 N ATOM 519 CA GLN A 36 0.999 -10.385 5.193 1.00 0.00 C ATOM 520 C GLN A 36 -0.519 -10.387 5.337 1.00 0.00 C ATOM 521 O GLN A 36 -1.049 -10.145 6.422 1.00 0.00 O ATOM 522 CB GLN A 36 1.600 -11.556 5.972 1.00 0.00 C ATOM 523 CG GLN A 36 2.840 -12.147 5.322 1.00 0.00 C ATOM 524 CD GLN A 36 3.229 -13.487 5.917 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.363 -13.679 6.354 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.286 -14.422 5.935 1.00 0.00 N ATOM 0 H GLN A 36 1.293 -8.864 6.607 1.00 0.00 H new ATOM 0 HA GLN A 36 1.244 -10.497 4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.852 -11.221 6.978 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.847 -12.337 6.076 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.663 -12.266 4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.671 -11.450 5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.359 -14.219 5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.489 -15.344 6.322 1.00 0.00 H new ATOM 535 N ASP A 37 -1.212 -10.662 4.238 1.00 0.00 N ATOM 536 CA ASP A 37 -2.670 -10.697 4.243 1.00 0.00 C ATOM 537 C ASP A 37 -3.187 -11.718 5.251 1.00 0.00 C ATOM 538 O ASP A 37 -2.667 -12.828 5.369 1.00 0.00 O ATOM 539 CB ASP A 37 -3.198 -11.029 2.846 1.00 0.00 C ATOM 540 CG ASP A 37 -4.677 -10.730 2.700 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.019 -9.581 2.351 1.00 0.00 O ATOM 542 OD2 ASP A 37 -5.494 -11.646 2.935 1.00 0.00 O ATOM 0 H ASP A 37 -0.788 -10.864 3.332 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.031 -9.711 4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.640 -10.457 2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.021 -12.084 2.635 1.00 0.00 H new ATOM 547 N PRO A 38 -4.233 -11.336 5.998 1.00 0.00 N ATOM 548 CA PRO A 38 -4.843 -12.203 7.010 1.00 0.00 C ATOM 549 C PRO A 38 -5.589 -13.381 6.392 1.00 0.00 C ATOM 550 O PRO A 38 -5.831 -14.392 7.053 1.00 0.00 O ATOM 551 CB PRO A 38 -5.819 -11.273 7.734 1.00 0.00 C ATOM 552 CG PRO A 38 -6.146 -10.217 6.736 1.00 0.00 C ATOM 553 CD PRO A 38 -4.903 -10.027 5.911 1.00 0.00 C ATOM 0 HA PRO A 38 -4.096 -12.652 7.665 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.714 -11.808 8.052 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.368 -10.845 8.630 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.987 -10.518 6.111 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.432 -9.288 7.230 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.141 -9.765 4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.276 -9.228 6.306 1.00 0.00 H new ATOM 561 N LEU A 39 -5.950 -13.244 5.121 1.00 0.00 N ATOM 562 CA LEU A 39 -6.669 -14.298 4.412 1.00 0.00 C ATOM 563 C LEU A 39 -5.702 -15.202 3.655 1.00 0.00 C ATOM 564 O LEU A 39 -5.957 -16.393 3.481 1.00 0.00 O ATOM 565 CB LEU A 39 -7.681 -13.687 3.441 1.00 0.00 C ATOM 566 CG LEU A 39 -8.539 -12.549 3.994 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.277 -11.842 2.868 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.522 -13.076 5.029 1.00 0.00 C ATOM 0 H LEU A 39 -5.757 -12.414 4.560 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.200 -14.901 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.141 -13.317 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.344 -14.479 3.093 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.882 -11.828 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.883 -11.035 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.556 -11.430 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.923 -12.553 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.124 -12.252 5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.174 -13.818 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.973 -13.536 5.851 1.00 0.00 H new ATOM 580 N ASP A 40 -4.589 -14.628 3.209 1.00 0.00 N ATOM 581 CA ASP A 40 -3.582 -15.383 2.473 1.00 0.00 C ATOM 582 C ASP A 40 -2.187 -15.112 3.029 1.00 0.00 C ATOM 583 O ASP A 40 -1.581 -14.072 2.771 1.00 0.00 O ATOM 584 CB ASP A 40 -3.631 -15.026 0.987 1.00 0.00 C ATOM 585 CG ASP A 40 -3.228 -16.187 0.099 1.00 0.00 C ATOM 586 OD1 ASP A 40 -4.010 -17.156 -0.002 1.00 0.00 O ATOM 587 OD2 ASP A 40 -2.132 -16.126 -0.495 1.00 0.00 O ATOM 0 H ASP A 40 -4.362 -13.643 3.345 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.801 -16.444 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.640 -14.706 0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.970 -14.181 0.797 1.00 0.00 H new ATOM 592 N PRO A 41 -1.665 -16.069 3.810 1.00 0.00 N ATOM 593 CA PRO A 41 -0.336 -15.956 4.419 1.00 0.00 C ATOM 594 C PRO A 41 0.784 -16.050 3.388 1.00 0.00 C ATOM 595 O PRO A 41 1.896 -15.574 3.618 1.00 0.00 O ATOM 596 CB PRO A 41 -0.282 -17.148 5.377 1.00 0.00 C ATOM 597 CG PRO A 41 -1.235 -18.139 4.803 1.00 0.00 C ATOM 598 CD PRO A 41 -2.331 -17.334 4.160 1.00 0.00 C ATOM 0 HA PRO A 41 -0.192 -14.992 4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.726 -17.559 5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.573 -16.858 6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.740 -18.778 4.072 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.634 -18.792 5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.732 -17.834 3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.165 -17.173 4.843 1.00 0.00 H new ATOM 606 N THR A 42 0.483 -16.667 2.249 1.00 0.00 N ATOM 607 CA THR A 42 1.464 -16.824 1.183 1.00 0.00 C ATOM 608 C THR A 42 1.623 -15.533 0.387 1.00 0.00 C ATOM 609 O THR A 42 2.472 -15.440 -0.499 1.00 0.00 O ATOM 610 CB THR A 42 1.072 -17.962 0.222 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.168 -17.652 -0.423 1.00 0.00 O ATOM 612 CG2 THR A 42 0.946 -19.281 0.968 1.00 0.00 C ATOM 0 H THR A 42 -0.433 -17.066 2.042 1.00 0.00 H new ATOM 0 HA THR A 42 2.412 -17.072 1.660 1.00 0.00 H new ATOM 0 HB THR A 42 1.857 -18.061 -0.528 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.600 -16.905 0.041 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.668 -20.070 0.269 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.900 -19.528 1.434 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.179 -19.192 1.737 1.00 0.00 H new ATOM 620 N ARG A 43 0.800 -14.540 0.709 1.00 0.00 N ATOM 621 CA ARG A 43 0.849 -13.255 0.023 1.00 0.00 C ATOM 622 C ARG A 43 1.283 -12.145 0.977 1.00 0.00 C ATOM 623 O ARG A 43 0.927 -12.153 2.155 1.00 0.00 O ATOM 624 CB ARG A 43 -0.517 -12.921 -0.578 1.00 0.00 C ATOM 625 CG ARG A 43 -0.686 -13.398 -2.011 1.00 0.00 C ATOM 626 CD ARG A 43 -2.082 -13.100 -2.536 1.00 0.00 C ATOM 627 NE ARG A 43 -3.001 -14.212 -2.310 1.00 0.00 N ATOM 628 CZ ARG A 43 -4.175 -14.331 -2.921 1.00 0.00 C ATOM 629 NH1 ARG A 43 -4.569 -13.412 -3.791 1.00 0.00 N ATOM 630 NH2 ARG A 43 -4.956 -15.372 -2.662 1.00 0.00 N ATOM 0 H ARG A 43 0.092 -14.601 1.440 1.00 0.00 H new ATOM 0 HA ARG A 43 1.583 -13.328 -0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.295 -13.370 0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.665 -11.842 -0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.054 -12.913 -2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.498 -14.470 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.469 -12.205 -2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.029 -12.884 -3.603 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.727 -14.937 -1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.971 -12.611 -3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.471 -13.506 -4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.655 -16.081 -1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.857 -15.463 -3.131 1.00 0.00 H new ATOM 644 N SER A 44 2.053 -11.194 0.459 1.00 0.00 N ATOM 645 CA SER A 44 2.539 -10.080 1.265 1.00 0.00 C ATOM 646 C SER A 44 2.464 -8.771 0.485 1.00 0.00 C ATOM 647 O SER A 44 2.516 -8.765 -0.745 1.00 0.00 O ATOM 648 CB SER A 44 3.978 -10.338 1.715 1.00 0.00 C ATOM 649 OG SER A 44 4.752 -10.884 0.661 1.00 0.00 O ATOM 0 H SER A 44 2.354 -11.172 -0.515 1.00 0.00 H new ATOM 0 HA SER A 44 1.901 -9.995 2.145 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.428 -9.406 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.980 -11.022 2.564 1.00 0.00 H new ATOM 0 HG SER A 44 5.668 -11.038 0.974 1.00 0.00 H new ATOM 655 N VAL A 45 2.343 -7.664 1.210 1.00 0.00 N ATOM 656 CA VAL A 45 2.263 -6.348 0.587 1.00 0.00 C ATOM 657 C VAL A 45 3.027 -5.308 1.398 1.00 0.00 C ATOM 658 O VAL A 45 3.009 -5.331 2.629 1.00 0.00 O ATOM 659 CB VAL A 45 0.801 -5.888 0.432 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.011 -6.889 -0.398 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.158 -5.690 1.797 1.00 0.00 C ATOM 0 H VAL A 45 2.298 -7.652 2.229 1.00 0.00 H new ATOM 0 HA VAL A 45 2.715 -6.438 -0.401 1.00 0.00 H new ATOM 0 HB VAL A 45 0.793 -4.932 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.019 -6.547 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.461 -6.977 -1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.025 -7.861 0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.875 -5.365 1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.177 -6.630 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.710 -4.933 2.353 1.00 0.00 H new ATOM 671 N ILE A 46 3.699 -4.398 0.701 1.00 0.00 N ATOM 672 CA ILE A 46 4.469 -3.349 1.357 1.00 0.00 C ATOM 673 C ILE A 46 3.560 -2.230 1.855 1.00 0.00 C ATOM 674 O ILE A 46 2.652 -1.792 1.148 1.00 0.00 O ATOM 675 CB ILE A 46 5.528 -2.752 0.411 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.666 -3.751 0.190 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.065 -1.445 0.974 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.334 -4.198 1.471 1.00 0.00 C ATOM 0 H ILE A 46 3.726 -4.366 -0.318 1.00 0.00 H new ATOM 0 HA ILE A 46 4.972 -3.811 2.206 1.00 0.00 H new ATOM 0 HB ILE A 46 5.059 -2.545 -0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.275 -4.625 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.414 -3.299 -0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.812 -1.036 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.247 -0.733 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.521 -1.628 1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.130 -4.905 1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.755 -3.333 1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.599 -4.679 2.116 1.00 0.00 H new ATOM 690 N VAL A 47 3.812 -1.769 3.076 1.00 0.00 N ATOM 691 CA VAL A 47 3.019 -0.698 3.668 1.00 0.00 C ATOM 692 C VAL A 47 3.900 0.478 4.074 1.00 0.00 C ATOM 693 O VAL A 47 5.093 0.313 4.332 1.00 0.00 O ATOM 694 CB VAL A 47 2.241 -1.193 4.902 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.919 -0.452 5.032 1.00 0.00 C ATOM 696 CG2 VAL A 47 2.014 -2.695 4.821 1.00 0.00 C ATOM 0 H VAL A 47 4.559 -2.121 3.675 1.00 0.00 H new ATOM 0 HA VAL A 47 2.310 -0.371 2.907 1.00 0.00 H new ATOM 0 HB VAL A 47 2.835 -0.986 5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.383 -0.815 5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.109 0.616 5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.316 -0.625 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.463 -3.028 5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.441 -2.928 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.976 -3.207 4.780 1.00 0.00 H new ATOM 706 N ILE A 48 3.304 1.664 4.130 1.00 0.00 N ATOM 707 CA ILE A 48 4.035 2.868 4.506 1.00 0.00 C ATOM 708 C ILE A 48 4.347 2.878 5.999 1.00 0.00 C ATOM 709 O ILE A 48 3.542 3.339 6.809 1.00 0.00 O ATOM 710 CB ILE A 48 3.244 4.141 4.150 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.828 4.114 2.678 1.00 0.00 C ATOM 712 CG2 ILE A 48 4.073 5.381 4.450 1.00 0.00 C ATOM 713 CD1 ILE A 48 3.974 4.360 1.722 1.00 0.00 C ATOM 0 H ILE A 48 2.318 1.817 3.920 1.00 0.00 H new ATOM 0 HA ILE A 48 4.968 2.860 3.942 1.00 0.00 H new ATOM 0 HB ILE A 48 2.343 4.174 4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.379 3.146 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.059 4.868 2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.501 6.272 4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.323 5.404 5.511 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.990 5.357 3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.606 4.327 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.409 5.340 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.734 3.591 1.860 1.00 0.00 H new ATOM 725 N ARG A 49 5.520 2.367 6.356 1.00 0.00 N ATOM 726 CA ARG A 49 5.939 2.317 7.752 1.00 0.00 C ATOM 727 C ARG A 49 5.587 3.615 8.472 1.00 0.00 C ATOM 728 O ARG A 49 4.780 3.623 9.401 1.00 0.00 O ATOM 729 CB ARG A 49 7.444 2.060 7.846 1.00 0.00 C ATOM 730 CG ARG A 49 7.978 2.081 9.269 1.00 0.00 C ATOM 731 CD ARG A 49 7.700 0.770 9.987 1.00 0.00 C ATOM 732 NE ARG A 49 8.672 0.510 11.046 1.00 0.00 N ATOM 733 CZ ARG A 49 9.947 0.215 10.818 1.00 0.00 C ATOM 734 NH1 ARG A 49 10.402 0.145 9.574 1.00 0.00 N ATOM 735 NH2 ARG A 49 10.770 -0.009 11.834 1.00 0.00 N ATOM 0 H ARG A 49 6.198 1.982 5.698 1.00 0.00 H new ATOM 0 HA ARG A 49 5.407 1.498 8.236 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.667 1.092 7.397 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.970 2.813 7.258 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.052 2.268 9.253 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.519 2.903 9.819 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.697 0.796 10.413 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.720 -0.049 9.268 1.00 0.00 H new ATOM 0 HE ARG A 49 8.354 0.558 12.014 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.773 0.318 8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.381 -0.082 9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.424 0.045 12.792 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.749 -0.235 11.657 1.00 0.00 H new ATOM 749 N SER A 50 6.199 4.712 8.036 1.00 0.00 N ATOM 750 CA SER A 50 5.954 6.016 8.641 1.00 0.00 C ATOM 751 C SER A 50 6.597 7.127 7.816 1.00 0.00 C ATOM 752 O SER A 50 7.551 6.892 7.073 1.00 0.00 O ATOM 753 CB SER A 50 6.497 6.048 10.071 1.00 0.00 C ATOM 754 OG SER A 50 7.857 6.443 10.092 1.00 0.00 O ATOM 0 H SER A 50 6.868 4.723 7.266 1.00 0.00 H new ATOM 0 HA SER A 50 4.877 6.182 8.665 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.905 6.738 10.672 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.395 5.062 10.524 1.00 0.00 H new ATOM 0 HG SER A 50 8.179 6.457 11.017 1.00 0.00 H new ATOM 760 N LEU A 51 6.067 8.338 7.953 1.00 0.00 N ATOM 761 CA LEU A 51 6.588 9.487 7.221 1.00 0.00 C ATOM 762 C LEU A 51 7.489 10.337 8.111 1.00 0.00 C ATOM 763 O LEU A 51 7.023 10.979 9.052 1.00 0.00 O ATOM 764 CB LEU A 51 5.437 10.338 6.682 1.00 0.00 C ATOM 765 CG LEU A 51 4.180 9.576 6.260 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.103 10.541 5.789 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.509 8.568 5.168 1.00 0.00 C ATOM 0 H LEU A 51 5.278 8.549 8.564 1.00 0.00 H new ATOM 0 HA LEU A 51 7.180 9.115 6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.159 11.063 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.800 10.903 5.824 1.00 0.00 H new ATOM 0 HG LEU A 51 3.800 9.034 7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.216 9.980 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.847 11.224 6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.473 11.111 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.603 8.035 4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.914 9.090 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.246 7.856 5.540 1.00 0.00 H new ATOM 779 N VAL A 52 8.783 10.337 7.806 1.00 0.00 N ATOM 780 CA VAL A 52 9.750 11.110 8.576 1.00 0.00 C ATOM 781 C VAL A 52 9.314 12.565 8.704 1.00 0.00 C ATOM 782 O VAL A 52 8.623 13.095 7.834 1.00 0.00 O ATOM 783 CB VAL A 52 11.149 11.060 7.934 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.125 11.930 8.710 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.647 9.624 7.854 1.00 0.00 C ATOM 0 H VAL A 52 9.186 9.810 7.031 1.00 0.00 H new ATOM 0 HA VAL A 52 9.797 10.659 9.567 1.00 0.00 H new ATOM 0 HB VAL A 52 11.079 11.453 6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.108 11.882 8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.773 12.962 8.709 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.195 11.571 9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.637 9.607 7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.703 9.202 8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.959 9.033 7.249 1.00 0.00 H new ATOM 795 N ALA A 53 9.721 13.206 9.794 1.00 0.00 N ATOM 796 CA ALA A 53 9.375 14.602 10.035 1.00 0.00 C ATOM 797 C ALA A 53 9.826 15.487 8.878 1.00 0.00 C ATOM 798 O ALA A 53 11.017 15.571 8.577 1.00 0.00 O ATOM 799 CB ALA A 53 9.991 15.081 11.341 1.00 0.00 C ATOM 0 H ALA A 53 10.291 12.781 10.525 1.00 0.00 H new ATOM 0 HA ALA A 53 8.290 14.674 10.111 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.724 16.125 11.508 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.615 14.474 12.165 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.076 14.988 11.287 1.00 0.00 H new ATOM 805 N ASP A 54 8.869 16.144 8.233 1.00 0.00 N ATOM 806 CA ASP A 54 9.168 17.023 7.109 1.00 0.00 C ATOM 807 C ASP A 54 9.846 16.252 5.981 1.00 0.00 C ATOM 808 O ASP A 54 10.631 16.811 5.217 1.00 0.00 O ATOM 809 CB ASP A 54 10.062 18.179 7.562 1.00 0.00 C ATOM 810 CG ASP A 54 9.338 19.146 8.478 1.00 0.00 C ATOM 811 OD1 ASP A 54 8.714 20.097 7.963 1.00 0.00 O ATOM 812 OD2 ASP A 54 9.395 18.952 9.711 1.00 0.00 O ATOM 0 H ASP A 54 7.879 16.084 8.469 1.00 0.00 H new ATOM 0 HA ASP A 54 8.227 17.426 6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.935 17.779 8.078 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.427 18.716 6.687 1.00 0.00 H new ATOM 817 N GLY A 55 9.537 14.962 5.884 1.00 0.00 N ATOM 818 CA GLY A 55 10.126 14.134 4.847 1.00 0.00 C ATOM 819 C GLY A 55 9.390 14.247 3.527 1.00 0.00 C ATOM 820 O GLY A 55 8.182 14.482 3.500 1.00 0.00 O ATOM 0 H GLY A 55 8.890 14.476 6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.168 14.422 4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.124 13.094 5.172 1.00 0.00 H new ATOM 824 N VAL A 56 10.119 14.082 2.429 1.00 0.00 N ATOM 825 CA VAL A 56 9.528 14.167 1.098 1.00 0.00 C ATOM 826 C VAL A 56 8.098 13.639 1.098 1.00 0.00 C ATOM 827 O VAL A 56 7.227 14.178 0.415 1.00 0.00 O ATOM 828 CB VAL A 56 10.355 13.378 0.066 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.698 13.441 -1.305 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.780 13.906 0.008 1.00 0.00 C ATOM 0 H VAL A 56 11.120 13.889 2.434 1.00 0.00 H new ATOM 0 HA VAL A 56 9.523 15.221 0.820 1.00 0.00 H new ATOM 0 HB VAL A 56 10.392 12.334 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.296 12.878 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.698 13.010 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.628 14.480 -1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.349 13.336 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.767 14.957 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.246 13.803 0.988 1.00 0.00 H new ATOM 840 N ALA A 57 7.862 12.583 1.869 1.00 0.00 N ATOM 841 CA ALA A 57 6.536 11.984 1.960 1.00 0.00 C ATOM 842 C ALA A 57 5.525 12.973 2.531 1.00 0.00 C ATOM 843 O ALA A 57 4.571 13.357 1.857 1.00 0.00 O ATOM 844 CB ALA A 57 6.584 10.724 2.811 1.00 0.00 C ATOM 0 H ALA A 57 8.572 12.124 2.440 1.00 0.00 H new ATOM 0 HA ALA A 57 6.215 11.717 0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.587 10.287 2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.269 10.006 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.931 10.975 3.813 1.00 0.00 H new ATOM 850 N GLU A 58 5.742 13.379 3.778 1.00 0.00 N ATOM 851 CA GLU A 58 4.848 14.322 4.440 1.00 0.00 C ATOM 852 C GLU A 58 4.806 15.650 3.689 1.00 0.00 C ATOM 853 O GLU A 58 3.735 16.211 3.459 1.00 0.00 O ATOM 854 CB GLU A 58 5.294 14.554 5.885 1.00 0.00 C ATOM 855 CG GLU A 58 4.153 14.911 6.824 1.00 0.00 C ATOM 856 CD GLU A 58 4.564 14.868 8.283 1.00 0.00 C ATOM 857 OE1 GLU A 58 5.287 13.924 8.668 1.00 0.00 O ATOM 858 OE2 GLU A 58 4.164 15.777 9.040 1.00 0.00 O ATOM 0 H GLU A 58 6.528 13.070 4.350 1.00 0.00 H new ATOM 0 HA GLU A 58 3.846 13.893 4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.788 13.655 6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.033 15.355 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.787 15.909 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.325 14.221 6.663 1.00 0.00 H new ATOM 865 N ARG A 59 5.979 16.147 3.312 1.00 0.00 N ATOM 866 CA ARG A 59 6.078 17.410 2.590 1.00 0.00 C ATOM 867 C ARG A 59 5.036 17.482 1.477 1.00 0.00 C ATOM 868 O ARG A 59 4.216 18.399 1.439 1.00 0.00 O ATOM 869 CB ARG A 59 7.480 17.578 2.002 1.00 0.00 C ATOM 870 CG ARG A 59 8.581 17.599 3.050 1.00 0.00 C ATOM 871 CD ARG A 59 9.842 18.262 2.520 1.00 0.00 C ATOM 872 NE ARG A 59 10.601 18.921 3.580 1.00 0.00 N ATOM 873 CZ ARG A 59 11.693 19.645 3.361 1.00 0.00 C ATOM 874 NH1 ARG A 59 12.151 19.804 2.127 1.00 0.00 N ATOM 875 NH2 ARG A 59 12.329 20.213 4.378 1.00 0.00 N ATOM 0 H ARG A 59 6.875 15.694 3.494 1.00 0.00 H new ATOM 0 HA ARG A 59 5.889 18.219 3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.671 16.764 1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.516 18.505 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.233 18.132 3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.808 16.579 3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.470 17.513 2.037 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.574 18.993 1.758 1.00 0.00 H new ATOM 0 HE ARG A 59 10.275 18.820 4.541 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.665 19.370 1.343 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.990 20.361 1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.979 20.094 5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.167 20.769 4.209 1.00 0.00 H new ATOM 889 N SER A 60 5.077 16.509 0.572 1.00 0.00 N ATOM 890 CA SER A 60 4.140 16.465 -0.545 1.00 0.00 C ATOM 891 C SER A 60 2.698 16.508 -0.047 1.00 0.00 C ATOM 892 O SER A 60 1.886 17.295 -0.530 1.00 0.00 O ATOM 893 CB SER A 60 4.366 15.201 -1.378 1.00 0.00 C ATOM 894 OG SER A 60 3.768 14.072 -0.764 1.00 0.00 O ATOM 0 H SER A 60 5.748 15.741 0.590 1.00 0.00 H new ATOM 0 HA SER A 60 4.317 17.340 -1.170 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.949 15.340 -2.376 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.435 15.029 -1.500 1.00 0.00 H new ATOM 0 HG SER A 60 4.178 13.921 0.113 1.00 0.00 H new ATOM 900 N GLY A 61 2.389 15.654 0.925 1.00 0.00 N ATOM 901 CA GLY A 61 1.046 15.610 1.473 1.00 0.00 C ATOM 902 C GLY A 61 0.155 14.622 0.746 1.00 0.00 C ATOM 903 O GLY A 61 -0.987 14.935 0.412 1.00 0.00 O ATOM 0 H GLY A 61 3.044 14.993 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.096 15.341 2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.602 16.604 1.418 1.00 0.00 H new ATOM 907 N GLY A 62 0.679 13.425 0.499 1.00 0.00 N ATOM 908 CA GLY A 62 -0.090 12.408 -0.193 1.00 0.00 C ATOM 909 C GLY A 62 0.018 11.049 0.470 1.00 0.00 C ATOM 910 O GLY A 62 -0.985 10.357 0.651 1.00 0.00 O ATOM 0 H GLY A 62 1.622 13.142 0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.137 12.710 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.255 12.334 -1.224 1.00 0.00 H new ATOM 914 N LEU A 63 1.237 10.664 0.832 1.00 0.00 N ATOM 915 CA LEU A 63 1.473 9.377 1.477 1.00 0.00 C ATOM 916 C LEU A 63 1.025 9.409 2.935 1.00 0.00 C ATOM 917 O LEU A 63 0.933 10.476 3.544 1.00 0.00 O ATOM 918 CB LEU A 63 2.955 9.007 1.394 1.00 0.00 C ATOM 919 CG LEU A 63 3.440 8.478 0.044 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.305 9.548 -1.028 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.881 8.000 0.146 1.00 0.00 C ATOM 0 H LEU A 63 2.077 11.225 0.690 1.00 0.00 H new ATOM 0 HA LEU A 63 0.887 8.622 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.544 9.888 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.164 8.253 2.153 1.00 0.00 H new ATOM 0 HG LEU A 63 2.816 7.630 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.655 9.154 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.259 9.842 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.904 10.416 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.210 7.627 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.519 8.830 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.948 7.201 0.884 1.00 0.00 H new ATOM 933 N LEU A 64 0.751 8.234 3.490 1.00 0.00 N ATOM 934 CA LEU A 64 0.315 8.127 4.878 1.00 0.00 C ATOM 935 C LEU A 64 0.731 6.787 5.477 1.00 0.00 C ATOM 936 O LEU A 64 0.819 5.771 4.787 1.00 0.00 O ATOM 937 CB LEU A 64 -1.203 8.291 4.971 1.00 0.00 C ATOM 938 CG LEU A 64 -1.749 9.680 4.642 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.268 9.652 4.564 1.00 0.00 C ATOM 940 CD2 LEU A 64 -1.285 10.695 5.676 1.00 0.00 C ATOM 0 H LEU A 64 0.823 7.342 3.001 1.00 0.00 H new ATOM 0 HA LEU A 64 0.795 8.923 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.668 7.571 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.515 8.030 5.982 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.361 9.980 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.639 10.650 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.580 8.956 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.676 9.330 5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.684 11.678 5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.643 10.399 6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.196 10.736 5.682 1.00 0.00 H new ATOM 952 N PRO A 65 0.991 6.782 6.793 1.00 0.00 N ATOM 953 CA PRO A 65 1.399 5.573 7.515 1.00 0.00 C ATOM 954 C PRO A 65 0.266 4.560 7.636 1.00 0.00 C ATOM 955 O PRO A 65 -0.738 4.814 8.299 1.00 0.00 O ATOM 956 CB PRO A 65 1.794 6.101 8.896 1.00 0.00 C ATOM 957 CG PRO A 65 1.019 7.363 9.055 1.00 0.00 C ATOM 958 CD PRO A 65 0.907 7.956 7.678 1.00 0.00 C ATOM 0 HA PRO A 65 2.201 5.042 7.001 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.548 5.384 9.679 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.867 6.285 8.958 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.033 7.165 9.476 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.525 8.048 9.735 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.033 8.492 7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.709 8.667 7.480 1.00 0.00 H new ATOM 966 N GLY A 66 0.436 3.410 6.990 1.00 0.00 N ATOM 967 CA GLY A 66 -0.581 2.375 7.039 1.00 0.00 C ATOM 968 C GLY A 66 -1.124 2.031 5.666 1.00 0.00 C ATOM 969 O GLY A 66 -1.794 1.013 5.493 1.00 0.00 O ATOM 0 H GLY A 66 1.259 3.177 6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.161 1.479 7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.400 2.705 7.678 1.00 0.00 H new ATOM 973 N ASP A 67 -0.837 2.883 4.688 1.00 0.00 N ATOM 974 CA ASP A 67 -1.302 2.664 3.323 1.00 0.00 C ATOM 975 C ASP A 67 -0.424 1.642 2.607 1.00 0.00 C ATOM 976 O ASP A 67 0.787 1.590 2.821 1.00 0.00 O ATOM 977 CB ASP A 67 -1.307 3.982 2.546 1.00 0.00 C ATOM 978 CG ASP A 67 -2.313 4.974 3.097 1.00 0.00 C ATOM 979 OD1 ASP A 67 -2.814 4.750 4.219 1.00 0.00 O ATOM 980 OD2 ASP A 67 -2.598 5.974 2.406 1.00 0.00 O ATOM 0 H ASP A 67 -0.285 3.731 4.815 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.319 2.274 3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.311 4.423 2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.534 3.782 1.499 1.00 0.00 H new ATOM 985 N ARG A 68 -1.044 0.829 1.758 1.00 0.00 N ATOM 986 CA ARG A 68 -0.321 -0.194 1.013 1.00 0.00 C ATOM 987 C ARG A 68 0.318 0.397 -0.241 1.00 0.00 C ATOM 988 O ARG A 68 -0.375 0.902 -1.125 1.00 0.00 O ATOM 989 CB ARG A 68 -1.262 -1.337 0.628 1.00 0.00 C ATOM 990 CG ARG A 68 -0.592 -2.427 -0.193 1.00 0.00 C ATOM 991 CD ARG A 68 -0.692 -2.143 -1.683 1.00 0.00 C ATOM 992 NE ARG A 68 -0.153 -3.237 -2.486 1.00 0.00 N ATOM 993 CZ ARG A 68 -0.838 -4.334 -2.788 1.00 0.00 C ATOM 994 NH1 ARG A 68 -2.083 -4.482 -2.356 1.00 0.00 N ATOM 995 NH2 ARG A 68 -0.279 -5.286 -3.524 1.00 0.00 N ATOM 0 H ARG A 68 -2.046 0.859 1.569 1.00 0.00 H new ATOM 0 HA ARG A 68 0.469 -0.584 1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.674 -1.779 1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.101 -0.931 0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.457 -2.507 0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.057 -3.388 0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.735 -1.976 -1.951 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.153 -1.224 -1.914 1.00 0.00 H new ATOM 0 HE ARG A 68 0.802 -3.154 -2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.517 -3.752 -1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.607 -5.325 -2.589 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.678 -5.176 -3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.806 -6.128 -3.755 1.00 0.00 H new ATOM 1009 N LEU A 69 1.643 0.330 -0.310 1.00 0.00 N ATOM 1010 CA LEU A 69 2.377 0.858 -1.455 1.00 0.00 C ATOM 1011 C LEU A 69 2.288 -0.092 -2.645 1.00 0.00 C ATOM 1012 O LEU A 69 2.610 -1.275 -2.533 1.00 0.00 O ATOM 1013 CB LEU A 69 3.842 1.093 -1.083 1.00 0.00 C ATOM 1014 CG LEU A 69 4.793 1.377 -2.247 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.366 2.634 -2.990 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.223 1.512 -1.746 1.00 0.00 C ATOM 0 H LEU A 69 2.231 -0.085 0.413 1.00 0.00 H new ATOM 0 HA LEU A 69 1.924 1.808 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.890 1.932 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.206 0.215 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 69 4.750 0.537 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.054 2.821 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.358 2.500 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.380 3.483 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.886 1.714 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.282 2.334 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.527 0.585 -1.259 1.00 0.00 H new ATOM 1028 N VAL A 70 1.851 0.434 -3.785 1.00 0.00 N ATOM 1029 CA VAL A 70 1.723 -0.367 -4.997 1.00 0.00 C ATOM 1030 C VAL A 70 3.063 -0.499 -5.712 1.00 0.00 C ATOM 1031 O VAL A 70 3.548 -1.606 -5.944 1.00 0.00 O ATOM 1032 CB VAL A 70 0.694 0.243 -5.966 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.640 -0.555 -7.260 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.679 0.310 -5.313 1.00 0.00 C ATOM 0 H VAL A 70 1.580 1.411 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 70 1.380 -1.355 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 70 1.006 1.259 -6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.093 -0.109 -7.932 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.621 -0.545 -7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.353 -1.584 -7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.394 0.744 -6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.002 -0.695 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.626 0.929 -4.417 1.00 0.00 H new ATOM 1044 N SER A 71 3.657 0.638 -6.059 1.00 0.00 N ATOM 1045 CA SER A 71 4.940 0.650 -6.751 1.00 0.00 C ATOM 1046 C SER A 71 5.651 1.986 -6.555 1.00 0.00 C ATOM 1047 O SER A 71 5.086 2.927 -5.998 1.00 0.00 O ATOM 1048 CB SER A 71 4.741 0.380 -8.244 1.00 0.00 C ATOM 1049 OG SER A 71 3.848 1.319 -8.817 1.00 0.00 O ATOM 0 H SER A 71 3.270 1.563 -5.872 1.00 0.00 H new ATOM 0 HA SER A 71 5.561 -0.138 -6.326 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.702 0.427 -8.757 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.353 -0.629 -8.386 1.00 0.00 H new ATOM 0 HG SER A 71 3.739 1.126 -9.772 1.00 0.00 H new ATOM 1055 N VAL A 72 6.895 2.061 -7.018 1.00 0.00 N ATOM 1056 CA VAL A 72 7.684 3.281 -6.895 1.00 0.00 C ATOM 1057 C VAL A 72 8.463 3.562 -8.175 1.00 0.00 C ATOM 1058 O VAL A 72 9.414 2.855 -8.504 1.00 0.00 O ATOM 1059 CB VAL A 72 8.671 3.195 -5.715 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.521 4.453 -5.637 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.922 2.965 -4.411 1.00 0.00 C ATOM 0 H VAL A 72 7.378 1.291 -7.482 1.00 0.00 H new ATOM 0 HA VAL A 72 6.982 4.095 -6.713 1.00 0.00 H new ATOM 0 HB VAL A 72 9.336 2.347 -5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.212 4.374 -4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.086 4.569 -6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.876 5.320 -5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.634 2.907 -3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.233 3.791 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.362 2.032 -4.473 1.00 0.00 H new ATOM 1071 N ASN A 73 8.053 4.602 -8.894 1.00 0.00 N ATOM 1072 CA ASN A 73 8.712 4.978 -10.139 1.00 0.00 C ATOM 1073 C ASN A 73 8.597 3.863 -11.174 1.00 0.00 C ATOM 1074 O ASN A 73 9.559 3.554 -11.877 1.00 0.00 O ATOM 1075 CB ASN A 73 10.185 5.302 -9.883 1.00 0.00 C ATOM 1076 CG ASN A 73 10.406 6.765 -9.548 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.477 7.471 -9.159 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.643 7.225 -9.699 1.00 0.00 N ATOM 0 H ASN A 73 7.267 5.199 -8.636 1.00 0.00 H new ATOM 0 HA ASN A 73 8.215 5.865 -10.531 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.553 4.685 -9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.770 5.042 -10.765 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.853 8.201 -9.489 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.382 6.602 -10.025 1.00 0.00 H new ATOM 1085 N GLU A 74 7.414 3.264 -11.261 1.00 0.00 N ATOM 1086 CA GLU A 74 7.174 2.183 -12.210 1.00 0.00 C ATOM 1087 C GLU A 74 7.917 0.917 -11.792 1.00 0.00 C ATOM 1088 O GLU A 74 8.602 0.291 -12.601 1.00 0.00 O ATOM 1089 CB GLU A 74 7.609 2.602 -13.616 1.00 0.00 C ATOM 1090 CG GLU A 74 6.816 1.931 -14.724 1.00 0.00 C ATOM 1091 CD GLU A 74 7.208 2.425 -16.103 1.00 0.00 C ATOM 1092 OE1 GLU A 74 6.734 3.510 -16.501 1.00 0.00 O ATOM 1093 OE2 GLU A 74 7.987 1.727 -16.785 1.00 0.00 O ATOM 0 H GLU A 74 6.607 3.508 -10.687 1.00 0.00 H new ATOM 0 HA GLU A 74 6.105 1.971 -12.217 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.507 3.683 -13.711 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.666 2.369 -13.745 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.967 0.853 -14.672 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.753 2.112 -14.566 1.00 0.00 H new ATOM 1100 N TYR A 75 7.777 0.548 -10.524 1.00 0.00 N ATOM 1101 CA TYR A 75 8.437 -0.641 -9.997 1.00 0.00 C ATOM 1102 C TYR A 75 7.442 -1.538 -9.267 1.00 0.00 C ATOM 1103 O TYR A 75 7.003 -1.226 -8.159 1.00 0.00 O ATOM 1104 CB TYR A 75 9.571 -0.243 -9.050 1.00 0.00 C ATOM 1105 CG TYR A 75 10.882 0.022 -9.755 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.095 1.208 -10.446 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.909 -0.913 -9.728 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.291 1.454 -11.091 1.00 0.00 C ATOM 1109 CE2 TYR A 75 13.109 -0.675 -10.369 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.295 0.510 -11.050 1.00 0.00 C ATOM 1111 OH TYR A 75 14.489 0.752 -11.690 1.00 0.00 O ATOM 0 H TYR A 75 7.213 1.055 -9.842 1.00 0.00 H new ATOM 0 HA TYR A 75 8.852 -1.197 -10.837 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.277 0.651 -8.499 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.716 -1.036 -8.316 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.312 1.951 -10.479 1.00 0.00 H new ATOM 0 HD2 TYR A 75 11.767 -1.842 -9.196 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.439 2.381 -11.625 1.00 0.00 H new ATOM 0 HE2 TYR A 75 13.897 -1.413 -10.337 1.00 0.00 H new ATOM 0 HH TYR A 75 15.089 -0.012 -11.563 1.00 0.00 H new ATOM 1121 N CYS A 76 7.090 -2.654 -9.896 1.00 0.00 N ATOM 1122 CA CYS A 76 6.146 -3.598 -9.308 1.00 0.00 C ATOM 1123 C CYS A 76 6.662 -4.122 -7.972 1.00 0.00 C ATOM 1124 O CYS A 76 7.570 -4.953 -7.927 1.00 0.00 O ATOM 1125 CB CYS A 76 5.897 -4.765 -10.265 1.00 0.00 C ATOM 1126 SG CYS A 76 5.150 -4.282 -11.839 1.00 0.00 S ATOM 0 H CYS A 76 7.444 -2.927 -10.813 1.00 0.00 H new ATOM 0 HA CYS A 76 5.207 -3.073 -9.134 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.844 -5.267 -10.463 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.248 -5.491 -9.775 1.00 0.00 H new ATOM 0 HG CYS A 76 4.981 -5.336 -12.581 1.00 0.00 H new ATOM 1132 N LEU A 77 6.079 -3.629 -6.885 1.00 0.00 N ATOM 1133 CA LEU A 77 6.481 -4.046 -5.546 1.00 0.00 C ATOM 1134 C LEU A 77 5.528 -5.102 -4.995 1.00 0.00 C ATOM 1135 O LEU A 77 5.660 -5.536 -3.850 1.00 0.00 O ATOM 1136 CB LEU A 77 6.521 -2.840 -4.605 1.00 0.00 C ATOM 1137 CG LEU A 77 7.502 -1.729 -4.982 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.550 -0.668 -3.893 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.889 -2.303 -5.231 1.00 0.00 C ATOM 0 H LEU A 77 5.327 -2.940 -6.904 1.00 0.00 H new ATOM 0 HA LEU A 77 7.478 -4.481 -5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.520 -2.412 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.770 -3.193 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 77 7.154 -1.261 -5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.253 0.115 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.558 -0.235 -3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.873 -1.122 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.573 -1.498 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.246 -2.798 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.843 -3.025 -6.046 1.00 0.00 H new ATOM 1151 N ASP A 78 4.569 -5.513 -5.818 1.00 0.00 N ATOM 1152 CA ASP A 78 3.596 -6.522 -5.415 1.00 0.00 C ATOM 1153 C ASP A 78 4.294 -7.769 -4.882 1.00 0.00 C ATOM 1154 O ASP A 78 5.307 -8.206 -5.427 1.00 0.00 O ATOM 1155 CB ASP A 78 2.695 -6.892 -6.595 1.00 0.00 C ATOM 1156 CG ASP A 78 3.481 -7.414 -7.782 1.00 0.00 C ATOM 1157 OD1 ASP A 78 4.655 -7.018 -7.937 1.00 0.00 O ATOM 1158 OD2 ASP A 78 2.921 -8.219 -8.555 1.00 0.00 O ATOM 0 H ASP A 78 4.445 -5.163 -6.768 1.00 0.00 H new ATOM 0 HA ASP A 78 2.984 -6.102 -4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.977 -7.648 -6.277 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.122 -6.016 -6.899 1.00 0.00 H new ATOM 1163 N ASN A 79 3.746 -8.336 -3.812 1.00 0.00 N ATOM 1164 CA ASN A 79 4.317 -9.531 -3.203 1.00 0.00 C ATOM 1165 C ASN A 79 5.842 -9.479 -3.228 1.00 0.00 C ATOM 1166 O ASN A 79 6.504 -10.465 -3.555 1.00 0.00 O ATOM 1167 CB ASN A 79 3.827 -10.784 -3.933 1.00 0.00 C ATOM 1168 CG ASN A 79 2.527 -11.314 -3.361 1.00 0.00 C ATOM 1169 OD1 ASN A 79 2.519 -12.001 -2.339 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.418 -10.997 -4.020 1.00 0.00 N ATOM 0 H ASN A 79 2.907 -7.987 -3.349 1.00 0.00 H new ATOM 0 HA ASN A 79 3.989 -9.571 -2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.689 -10.555 -4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.591 -11.559 -3.872 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.513 -11.325 -3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.471 -10.425 -4.863 1.00 0.00 H new ATOM 1177 N THR A 80 6.394 -8.321 -2.879 1.00 0.00 N ATOM 1178 CA THR A 80 7.840 -8.139 -2.861 1.00 0.00 C ATOM 1179 C THR A 80 8.394 -8.276 -1.447 1.00 0.00 C ATOM 1180 O THR A 80 7.661 -8.142 -0.468 1.00 0.00 O ATOM 1181 CB THR A 80 8.240 -6.763 -3.426 1.00 0.00 C ATOM 1182 OG1 THR A 80 7.712 -6.603 -4.747 1.00 0.00 O ATOM 1183 CG2 THR A 80 9.753 -6.609 -3.457 1.00 0.00 C ATOM 0 H THR A 80 5.861 -7.495 -2.605 1.00 0.00 H new ATOM 0 HA THR A 80 8.265 -8.920 -3.492 1.00 0.00 H new ATOM 0 HB THR A 80 7.826 -5.994 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.997 -7.257 -4.895 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.011 -5.630 -3.860 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.149 -6.701 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.185 -7.386 -4.088 1.00 0.00 H new ATOM 1191 N SER A 81 9.693 -8.542 -1.349 1.00 0.00 N ATOM 1192 CA SER A 81 10.345 -8.700 -0.054 1.00 0.00 C ATOM 1193 C SER A 81 10.876 -7.363 0.453 1.00 0.00 C ATOM 1194 O SER A 81 11.435 -6.574 -0.310 1.00 0.00 O ATOM 1195 CB SER A 81 11.488 -9.711 -0.155 1.00 0.00 C ATOM 1196 OG SER A 81 10.993 -11.038 -0.201 1.00 0.00 O ATOM 0 H SER A 81 10.314 -8.653 -2.150 1.00 0.00 H new ATOM 0 HA SER A 81 9.605 -9.070 0.656 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.079 -9.509 -1.049 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.154 -9.598 0.700 1.00 0.00 H new ATOM 0 HG SER A 81 11.743 -11.665 -0.267 1.00 0.00 H new ATOM 1202 N LEU A 82 10.698 -7.115 1.746 1.00 0.00 N ATOM 1203 CA LEU A 82 11.159 -5.873 2.358 1.00 0.00 C ATOM 1204 C LEU A 82 12.495 -5.438 1.765 1.00 0.00 C ATOM 1205 O LEU A 82 12.649 -4.298 1.328 1.00 0.00 O ATOM 1206 CB LEU A 82 11.292 -6.046 3.872 1.00 0.00 C ATOM 1207 CG LEU A 82 12.020 -4.925 4.614 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.262 -3.614 4.477 1.00 0.00 C ATOM 1209 CD2 LEU A 82 12.202 -5.287 6.081 1.00 0.00 C ATOM 0 H LEU A 82 10.238 -7.757 2.391 1.00 0.00 H new ATOM 0 HA LEU A 82 10.421 -5.098 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.293 -6.145 4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.815 -6.982 4.066 1.00 0.00 H new ATOM 0 HG LEU A 82 13.006 -4.799 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.795 -2.828 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.184 -3.347 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.263 -3.726 4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.722 -4.478 6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.226 -5.441 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.788 -6.202 6.160 1.00 0.00 H new ATOM 1221 N ALA A 83 13.457 -6.354 1.752 1.00 0.00 N ATOM 1222 CA ALA A 83 14.779 -6.066 1.209 1.00 0.00 C ATOM 1223 C ALA A 83 14.683 -5.543 -0.220 1.00 0.00 C ATOM 1224 O ALA A 83 15.326 -4.554 -0.573 1.00 0.00 O ATOM 1225 CB ALA A 83 15.653 -7.310 1.259 1.00 0.00 C ATOM 0 H ALA A 83 13.346 -7.302 2.111 1.00 0.00 H new ATOM 0 HA ALA A 83 15.235 -5.290 1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.637 -7.080 0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.757 -7.640 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.192 -8.103 0.670 1.00 0.00 H new ATOM 1231 N GLU A 84 13.877 -6.212 -1.038 1.00 0.00 N ATOM 1232 CA GLU A 84 13.699 -5.814 -2.430 1.00 0.00 C ATOM 1233 C GLU A 84 13.019 -4.451 -2.523 1.00 0.00 C ATOM 1234 O GLU A 84 13.400 -3.610 -3.337 1.00 0.00 O ATOM 1235 CB GLU A 84 12.874 -6.861 -3.182 1.00 0.00 C ATOM 1236 CG GLU A 84 13.714 -7.952 -3.823 1.00 0.00 C ATOM 1237 CD GLU A 84 13.057 -8.547 -5.053 1.00 0.00 C ATOM 1238 OE1 GLU A 84 12.053 -9.272 -4.898 1.00 0.00 O ATOM 1239 OE2 GLU A 84 13.548 -8.287 -6.172 1.00 0.00 O ATOM 0 H GLU A 84 13.337 -7.032 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 84 14.685 -5.741 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.166 -7.318 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.289 -6.363 -3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.686 -7.543 -4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.895 -8.742 -3.094 1.00 0.00 H new ATOM 1246 N ALA A 85 12.010 -4.241 -1.684 1.00 0.00 N ATOM 1247 CA ALA A 85 11.278 -2.981 -1.670 1.00 0.00 C ATOM 1248 C ALA A 85 12.189 -1.821 -1.286 1.00 0.00 C ATOM 1249 O ALA A 85 12.173 -0.768 -1.924 1.00 0.00 O ATOM 1250 CB ALA A 85 10.098 -3.067 -0.713 1.00 0.00 C ATOM 0 H ALA A 85 11.681 -4.928 -1.005 1.00 0.00 H new ATOM 0 HA ALA A 85 10.903 -2.796 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.560 -2.119 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.427 -3.865 -1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.460 -3.279 0.293 1.00 0.00 H new ATOM 1256 N VAL A 86 12.983 -2.019 -0.238 1.00 0.00 N ATOM 1257 CA VAL A 86 13.901 -0.989 0.231 1.00 0.00 C ATOM 1258 C VAL A 86 14.984 -0.705 -0.805 1.00 0.00 C ATOM 1259 O VAL A 86 15.325 0.449 -1.059 1.00 0.00 O ATOM 1260 CB VAL A 86 14.569 -1.394 1.558 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.565 -0.333 2.001 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.519 -1.633 2.632 1.00 0.00 C ATOM 0 H VAL A 86 13.008 -2.884 0.302 1.00 0.00 H new ATOM 0 HA VAL A 86 13.310 -0.087 0.391 1.00 0.00 H new ATOM 0 HB VAL A 86 15.113 -2.325 1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.027 -0.637 2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.336 -0.217 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.047 0.616 2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.009 -1.918 3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.945 -0.720 2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.849 -2.432 2.315 1.00 0.00 H new ATOM 1272 N GLU A 87 15.520 -1.767 -1.399 1.00 0.00 N ATOM 1273 CA GLU A 87 16.564 -1.631 -2.407 1.00 0.00 C ATOM 1274 C GLU A 87 16.054 -0.856 -3.618 1.00 0.00 C ATOM 1275 O GLU A 87 16.826 -0.197 -4.316 1.00 0.00 O ATOM 1276 CB GLU A 87 17.065 -3.010 -2.844 1.00 0.00 C ATOM 1277 CG GLU A 87 18.168 -3.565 -1.959 1.00 0.00 C ATOM 1278 CD GLU A 87 18.636 -4.937 -2.403 1.00 0.00 C ATOM 1279 OE1 GLU A 87 17.800 -5.713 -2.911 1.00 0.00 O ATOM 1280 OE2 GLU A 87 19.838 -5.236 -2.241 1.00 0.00 O ATOM 0 H GLU A 87 15.248 -2.730 -1.199 1.00 0.00 H new ATOM 0 HA GLU A 87 17.391 -1.076 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.227 -3.707 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.430 -2.947 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 87 19.014 -2.877 -1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.810 -3.622 -0.931 1.00 0.00 H new ATOM 1287 N ILE A 88 14.751 -0.940 -3.861 1.00 0.00 N ATOM 1288 CA ILE A 88 14.137 -0.247 -4.987 1.00 0.00 C ATOM 1289 C ILE A 88 14.040 1.252 -4.723 1.00 0.00 C ATOM 1290 O ILE A 88 14.221 2.066 -5.629 1.00 0.00 O ATOM 1291 CB ILE A 88 12.730 -0.796 -5.288 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.827 -2.163 -5.967 1.00 0.00 C ATOM 1293 CG2 ILE A 88 11.956 0.181 -6.159 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.654 -3.071 -5.670 1.00 0.00 C ATOM 0 H ILE A 88 14.099 -1.481 -3.293 1.00 0.00 H new ATOM 0 HA ILE A 88 14.778 -0.421 -5.851 1.00 0.00 H new ATOM 0 HB ILE A 88 12.194 -0.917 -4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.901 -2.020 -7.045 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.746 -2.654 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.964 -0.221 -6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.861 1.135 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.487 0.330 -7.099 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.791 -4.022 -6.184 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.591 -3.245 -4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.733 -2.601 -6.016 1.00 0.00 H new ATOM 1306 N LEU A 89 13.755 1.610 -3.475 1.00 0.00 N ATOM 1307 CA LEU A 89 13.636 3.011 -3.090 1.00 0.00 C ATOM 1308 C LEU A 89 15.006 3.679 -3.032 1.00 0.00 C ATOM 1309 O LEU A 89 15.125 4.893 -3.200 1.00 0.00 O ATOM 1310 CB LEU A 89 12.941 3.130 -1.732 1.00 0.00 C ATOM 1311 CG LEU A 89 11.417 3.252 -1.767 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.835 3.061 -0.375 1.00 0.00 C ATOM 1313 CD2 LEU A 89 11.003 4.599 -2.341 1.00 0.00 C ATOM 0 H LEU A 89 13.602 0.949 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 89 13.036 3.519 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.202 2.256 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.344 4.001 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 89 11.023 2.468 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.750 3.151 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.102 2.073 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.235 3.822 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.915 4.668 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.408 5.399 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.389 4.696 -3.356 1.00 0.00 H new ATOM 1325 N LYS A 90 16.040 2.878 -2.797 1.00 0.00 N ATOM 1326 CA LYS A 90 17.403 3.389 -2.721 1.00 0.00 C ATOM 1327 C LYS A 90 18.031 3.471 -4.108 1.00 0.00 C ATOM 1328 O LYS A 90 18.805 4.384 -4.396 1.00 0.00 O ATOM 1329 CB LYS A 90 18.255 2.495 -1.816 1.00 0.00 C ATOM 1330 CG LYS A 90 17.877 2.580 -0.347 1.00 0.00 C ATOM 1331 CD LYS A 90 18.585 1.515 0.473 1.00 0.00 C ATOM 1332 CE LYS A 90 18.488 1.804 1.963 1.00 0.00 C ATOM 1333 NZ LYS A 90 19.612 1.187 2.722 1.00 0.00 N ATOM 0 H LYS A 90 15.959 1.871 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 90 17.365 4.393 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.160 1.461 -2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.303 2.771 -1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.132 3.567 0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.798 2.465 -0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 90 18.147 0.540 0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.633 1.464 0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 90 18.489 2.882 2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 90 17.540 1.425 2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 19.510 1.407 3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 19.596 0.156 2.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 20.516 1.567 2.375 1.00 0.00 H new ATOM 1347 N ALA A 91 17.692 2.513 -4.965 1.00 0.00 N ATOM 1348 CA ALA A 91 18.220 2.481 -6.323 1.00 0.00 C ATOM 1349 C ALA A 91 17.506 3.490 -7.214 1.00 0.00 C ATOM 1350 O ALA A 91 18.042 3.921 -8.235 1.00 0.00 O ATOM 1351 CB ALA A 91 18.096 1.080 -6.904 1.00 0.00 C ATOM 0 H ALA A 91 17.054 1.749 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 91 19.274 2.754 -6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.494 1.070 -7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.658 0.379 -6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 91 17.047 0.786 -6.923 1.00 0.00 H new ATOM 1357 N VAL A 92 16.292 3.864 -6.822 1.00 0.00 N ATOM 1358 CA VAL A 92 15.504 4.824 -7.586 1.00 0.00 C ATOM 1359 C VAL A 92 16.210 6.173 -7.669 1.00 0.00 C ATOM 1360 O VAL A 92 16.752 6.679 -6.686 1.00 0.00 O ATOM 1361 CB VAL A 92 14.108 5.025 -6.965 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.215 5.758 -5.637 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.201 5.777 -7.927 1.00 0.00 C ATOM 0 H VAL A 92 15.833 3.517 -5.980 1.00 0.00 H new ATOM 0 HA VAL A 92 15.392 4.414 -8.590 1.00 0.00 H new ATOM 0 HB VAL A 92 13.668 4.046 -6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.219 5.891 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.828 5.176 -4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.675 6.733 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.219 5.910 -7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.634 6.753 -8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 92 13.099 5.208 -8.851 1.00 0.00 H new ATOM 1373 N PRO A 93 16.204 6.771 -8.869 1.00 0.00 N ATOM 1374 CA PRO A 93 16.839 8.070 -9.109 1.00 0.00 C ATOM 1375 C PRO A 93 16.096 9.214 -8.427 1.00 0.00 C ATOM 1376 O PRO A 93 14.900 9.128 -8.145 1.00 0.00 O ATOM 1377 CB PRO A 93 16.773 8.222 -10.631 1.00 0.00 C ATOM 1378 CG PRO A 93 15.615 7.382 -11.045 1.00 0.00 C ATOM 1379 CD PRO A 93 15.577 6.225 -10.085 1.00 0.00 C ATOM 0 HA PRO A 93 17.851 8.109 -8.706 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.630 9.263 -10.919 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.696 7.885 -11.103 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.686 7.952 -11.006 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.733 7.034 -12.071 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.556 5.893 -9.896 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.126 5.366 -10.469 1.00 0.00 H new ATOM 1387 N PRO A 94 16.818 10.311 -8.155 1.00 0.00 N ATOM 1388 CA PRO A 94 16.246 11.493 -7.503 1.00 0.00 C ATOM 1389 C PRO A 94 15.272 12.239 -8.408 1.00 0.00 C ATOM 1390 O PRO A 94 15.124 11.909 -9.583 1.00 0.00 O ATOM 1391 CB PRO A 94 17.471 12.361 -7.205 1.00 0.00 C ATOM 1392 CG PRO A 94 18.484 11.947 -8.215 1.00 0.00 C ATOM 1393 CD PRO A 94 18.248 10.482 -8.462 1.00 0.00 C ATOM 0 HA PRO A 94 15.667 11.230 -6.618 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.235 13.422 -7.293 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.834 12.198 -6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.374 12.521 -9.135 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.495 12.123 -7.848 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.474 10.207 -9.492 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.874 9.860 -7.822 1.00 0.00 H new ATOM 1401 N GLY A 95 14.609 13.249 -7.851 1.00 0.00 N ATOM 1402 CA GLY A 95 13.657 14.027 -8.623 1.00 0.00 C ATOM 1403 C GLY A 95 12.236 13.523 -8.469 1.00 0.00 C ATOM 1404 O GLY A 95 11.938 12.755 -7.553 1.00 0.00 O ATOM 0 H GLY A 95 14.714 13.542 -6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.705 15.070 -8.309 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.938 13.998 -9.676 1.00 0.00 H new ATOM 1408 N LEU A 96 11.356 13.955 -9.365 1.00 0.00 N ATOM 1409 CA LEU A 96 9.957 13.544 -9.324 1.00 0.00 C ATOM 1410 C LEU A 96 9.838 12.039 -9.102 1.00 0.00 C ATOM 1411 O LEU A 96 10.491 11.247 -9.782 1.00 0.00 O ATOM 1412 CB LEU A 96 9.251 13.937 -10.622 1.00 0.00 C ATOM 1413 CG LEU A 96 7.724 13.998 -10.564 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.149 12.636 -10.208 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.270 15.050 -9.563 1.00 0.00 C ATOM 0 H LEU A 96 11.586 14.590 -10.129 1.00 0.00 H new ATOM 0 HA LEU A 96 9.478 14.055 -8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.622 14.914 -10.933 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.537 13.226 -11.397 1.00 0.00 H new ATOM 0 HG LEU A 96 7.353 14.280 -11.549 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.061 12.699 -10.171 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.445 11.907 -10.963 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.528 12.324 -9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.181 15.079 -9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.652 14.799 -8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.652 16.026 -9.863 1.00 0.00 H new ATOM 1427 N VAL A 97 8.998 11.652 -8.147 1.00 0.00 N ATOM 1428 CA VAL A 97 8.790 10.242 -7.838 1.00 0.00 C ATOM 1429 C VAL A 97 7.315 9.871 -7.932 1.00 0.00 C ATOM 1430 O VAL A 97 6.519 10.216 -7.058 1.00 0.00 O ATOM 1431 CB VAL A 97 9.307 9.894 -6.429 1.00 0.00 C ATOM 1432 CG1 VAL A 97 9.029 8.435 -6.104 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.793 10.201 -6.317 1.00 0.00 C ATOM 0 H VAL A 97 8.451 12.295 -7.574 1.00 0.00 H new ATOM 0 HA VAL A 97 9.353 9.670 -8.575 1.00 0.00 H new ATOM 0 HB VAL A 97 8.776 10.510 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.401 8.207 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.955 8.252 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.531 7.798 -6.832 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.142 9.949 -5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.343 9.612 -7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.960 11.262 -6.504 1.00 0.00 H new ATOM 1443 N HIS A 98 6.955 9.164 -8.999 1.00 0.00 N ATOM 1444 CA HIS A 98 5.574 8.744 -9.208 1.00 0.00 C ATOM 1445 C HIS A 98 5.322 7.376 -8.582 1.00 0.00 C ATOM 1446 O HIS A 98 5.631 6.343 -9.177 1.00 0.00 O ATOM 1447 CB HIS A 98 5.252 8.702 -10.702 1.00 0.00 C ATOM 1448 CG HIS A 98 4.986 10.050 -11.296 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.654 10.530 -12.403 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.116 11.022 -10.933 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.209 11.740 -12.693 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.275 12.061 -11.817 1.00 0.00 N ATOM 0 H HIS A 98 7.601 8.870 -9.732 1.00 0.00 H new ATOM 0 HA HIS A 98 4.922 9.471 -8.724 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.084 8.239 -11.232 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.381 8.066 -10.860 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.426 10.987 -10.103 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.551 12.361 -13.508 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.756 12.939 -11.800 1.00 0.00 H new ATOM 1461 N LEU A 99 4.760 7.377 -7.378 1.00 0.00 N ATOM 1462 CA LEU A 99 4.466 6.135 -6.670 1.00 0.00 C ATOM 1463 C LEU A 99 2.995 6.069 -6.274 1.00 0.00 C ATOM 1464 O LEU A 99 2.426 7.048 -5.794 1.00 0.00 O ATOM 1465 CB LEU A 99 5.347 6.015 -5.425 1.00 0.00 C ATOM 1466 CG LEU A 99 5.320 7.205 -4.466 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.136 7.099 -3.517 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.624 7.293 -3.687 1.00 0.00 C ATOM 0 H LEU A 99 4.499 8.223 -6.872 1.00 0.00 H new ATOM 0 HA LEU A 99 4.680 5.303 -7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.044 5.124 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.376 5.857 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 99 5.209 8.117 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.133 7.955 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.210 7.087 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.216 6.180 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.586 8.146 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.766 6.378 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.455 7.418 -4.381 1.00 0.00 H new ATOM 1480 N GLY A 100 2.384 4.905 -6.478 1.00 0.00 N ATOM 1481 CA GLY A 100 0.985 4.731 -6.135 1.00 0.00 C ATOM 1482 C GLY A 100 0.789 4.321 -4.689 1.00 0.00 C ATOM 1483 O GLY A 100 1.679 3.726 -4.080 1.00 0.00 O ATOM 0 H GLY A 100 2.834 4.080 -6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.450 5.662 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.546 3.975 -6.786 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.377 4.640 -4.138 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.686 4.301 -2.755 1.00 0.00 C ATOM 1489 C ILE A 101 -2.116 3.788 -2.620 1.00 0.00 C ATOM 1490 O ILE A 101 -3.025 4.268 -3.299 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.497 5.512 -1.822 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.872 6.154 -2.056 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.650 5.091 -0.369 1.00 0.00 C ATOM 1494 CD1 ILE A 101 1.999 5.455 -1.328 1.00 0.00 C ATOM 0 H ILE A 101 -1.123 5.133 -4.628 1.00 0.00 H new ATOM 0 HA ILE A 101 0.009 3.514 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.267 6.250 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.086 6.155 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.835 7.196 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.514 5.958 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.646 4.676 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.099 4.337 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.940 5.964 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.808 5.477 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.063 4.420 -1.664 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.309 2.813 -1.739 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.629 2.236 -1.514 1.00 0.00 C ATOM 1508 C CYS A 102 -4.147 2.589 -0.124 1.00 0.00 C ATOM 1509 O CYS A 102 -3.725 2.004 0.874 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.580 0.716 -1.683 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.881 0.151 -3.373 1.00 0.00 S ATOM 0 H CYS A 102 -1.568 2.405 -1.169 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.312 2.654 -2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.603 0.357 -1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.320 0.264 -1.023 1.00 0.00 H new ATOM 0 HG CYS A 102 -5.161 0.035 -3.570 1.00 0.00 H new ATOM 1517 N SER A 103 -5.063 3.550 -0.066 1.00 0.00 N ATOM 1518 CA SER A 103 -5.635 3.986 1.203 1.00 0.00 C ATOM 1519 C SER A 103 -5.893 2.794 2.120 1.00 0.00 C ATOM 1520 O SER A 103 -6.651 1.887 1.780 1.00 0.00 O ATOM 1521 CB SER A 103 -6.939 4.750 0.963 1.00 0.00 C ATOM 1522 OG SER A 103 -7.984 3.871 0.588 1.00 0.00 O ATOM 0 H SER A 103 -5.425 4.042 -0.883 1.00 0.00 H new ATOM 0 HA SER A 103 -4.918 4.648 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.220 5.289 1.868 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.789 5.495 0.182 1.00 0.00 H new ATOM 0 HG SER A 103 -7.766 2.961 0.878 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.254 2.804 3.286 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.427 1.720 4.235 1.00 0.00 C ATOM 1530 C GLY A 104 -6.030 2.186 5.545 1.00 0.00 C ATOM 1531 O GLY A 104 -6.692 3.222 5.614 1.00 0.00 O ATOM 0 H GLY A 104 -4.620 3.543 3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.068 0.955 3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.461 1.254 4.429 1.00 0.00 H new