USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 773 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 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.0445 (180deg=-0.337) USER MOD Single : A 32 HIS : +bothHN:sc= -5.68! C(o=-5.7!,f=-8.1!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.208 K(o=-0.21,f=-0.79) USER MOD Single : A 47 ASN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -137:sc= -0.482 (180deg=-2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -7.55! C(o=-7.6!,f=-16!) USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= 1.21 (180deg=-0.234) USER MOD Single : A 66 GLN : amide:sc= -0.377 K(o=-0.38,f=-3.7!) USER MOD Single : A 69 SER OG : rot 180:sc= 0.00504 USER MOD Single : A 79 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.04) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.56 K(o=-1.6,f=-6.8!) USER MOD Single : A 94 GLN : amide:sc= -0.0252 K(o=-0.025,f=-2.1!) USER MOD Single : A 96 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.078) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 10.344 11.519 -17.604 1.00 0.00 N ATOM 84 CA ALA A 9 11.014 11.069 -16.390 1.00 0.00 C ATOM 85 C ALA A 9 11.337 9.581 -16.461 1.00 0.00 C ATOM 86 O ALA A 9 10.829 8.866 -17.324 1.00 0.00 O ATOM 87 CB ALA A 9 10.153 11.367 -15.171 1.00 0.00 C ATOM 0 HA ALA A 9 11.954 11.614 -16.299 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.665 11.026 -14.271 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.977 12.441 -15.103 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.199 10.848 -15.264 1.00 0.00 H new ATOM 93 N ALA A 10 12.187 9.121 -15.549 1.00 0.00 N ATOM 94 CA ALA A 10 12.577 7.717 -15.508 1.00 0.00 C ATOM 95 C ALA A 10 11.774 6.954 -14.461 1.00 0.00 C ATOM 96 O ALA A 10 11.263 7.526 -13.498 1.00 0.00 O ATOM 97 CB ALA A 10 14.068 7.591 -15.227 1.00 0.00 C ATOM 0 H ALA A 10 12.619 9.700 -14.829 1.00 0.00 H new ATOM 0 HA ALA A 10 12.363 7.278 -16.483 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.345 6.537 -15.199 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.630 8.093 -16.014 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.297 8.052 -14.266 1.00 0.00 H new ATOM 103 N PRO A 11 11.657 5.631 -14.651 1.00 0.00 N ATOM 104 CA PRO A 11 10.916 4.762 -13.732 1.00 0.00 C ATOM 105 C PRO A 11 11.619 4.606 -12.388 1.00 0.00 C ATOM 106 O PRO A 11 12.844 4.694 -12.303 1.00 0.00 O ATOM 107 CB PRO A 11 10.871 3.422 -14.471 1.00 0.00 C ATOM 108 CG PRO A 11 12.057 3.446 -15.372 1.00 0.00 C ATOM 109 CD PRO A 11 12.240 4.883 -15.777 1.00 0.00 C ATOM 0 HA PRO A 11 9.932 5.166 -13.492 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.919 2.584 -13.775 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.946 3.313 -15.037 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.943 3.069 -14.861 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.898 2.812 -16.244 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.292 5.129 -15.921 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.729 5.105 -16.714 1.00 0.00 H new ATOM 117 N LEU A 12 10.836 4.372 -11.340 1.00 0.00 N ATOM 118 CA LEU A 12 11.384 4.203 -9.999 1.00 0.00 C ATOM 119 C LEU A 12 11.282 2.749 -9.549 1.00 0.00 C ATOM 120 O LEU A 12 10.214 2.141 -9.619 1.00 0.00 O ATOM 121 CB LEU A 12 10.648 5.108 -9.008 1.00 0.00 C ATOM 122 CG LEU A 12 10.531 6.580 -9.404 1.00 0.00 C ATOM 123 CD1 LEU A 12 9.696 7.341 -8.386 1.00 0.00 C ATOM 124 CD2 LEU A 12 11.911 7.207 -9.540 1.00 0.00 C ATOM 0 H LEU A 12 9.820 4.295 -11.393 1.00 0.00 H new ATOM 0 HA LEU A 12 12.437 4.484 -10.025 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.644 4.711 -8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.158 5.050 -8.046 1.00 0.00 H new ATOM 0 HG LEU A 12 10.031 6.638 -10.371 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.623 8.387 -8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.697 6.907 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.168 7.275 -7.406 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.808 8.255 -9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.438 7.138 -8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.477 6.678 -10.307 1.00 0.00 H new ATOM 136 N CYS A 13 12.399 2.199 -9.086 1.00 0.00 N ATOM 137 CA CYS A 13 12.436 0.817 -8.623 1.00 0.00 C ATOM 138 C CYS A 13 12.437 0.754 -7.099 1.00 0.00 C ATOM 139 O CYS A 13 13.401 1.161 -6.451 1.00 0.00 O ATOM 140 CB CYS A 13 13.672 0.105 -9.176 1.00 0.00 C ATOM 141 SG CYS A 13 13.471 -0.521 -10.860 1.00 0.00 S ATOM 0 H CYS A 13 13.291 2.689 -9.021 1.00 0.00 H new ATOM 0 HA CYS A 13 11.541 0.313 -8.989 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.516 0.795 -9.155 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.924 -0.727 -8.518 1.00 0.00 H new ATOM 0 HG CYS A 13 14.569 -1.104 -11.240 1.00 0.00 H new ATOM 147 N VAL A 14 11.349 0.242 -6.532 1.00 0.00 N ATOM 148 CA VAL A 14 11.223 0.126 -5.085 1.00 0.00 C ATOM 149 C VAL A 14 10.930 -1.312 -4.672 1.00 0.00 C ATOM 150 O VAL A 14 10.400 -2.100 -5.456 1.00 0.00 O ATOM 151 CB VAL A 14 10.110 1.041 -4.543 1.00 0.00 C ATOM 152 CG1 VAL A 14 10.185 2.415 -5.190 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.744 0.410 -4.770 1.00 0.00 C ATOM 0 H VAL A 14 10.542 -0.099 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 14 12.177 0.436 -4.659 1.00 0.00 H new ATOM 0 HB VAL A 14 10.255 1.163 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.390 3.047 -4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.152 2.868 -4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.066 2.316 -6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.969 1.070 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.587 0.256 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.696 -0.549 -4.254 1.00 0.00 H new ATOM 163 N LYS A 15 11.279 -1.650 -3.435 1.00 0.00 N ATOM 164 CA LYS A 15 11.052 -2.993 -2.915 1.00 0.00 C ATOM 165 C LYS A 15 9.895 -3.003 -1.920 1.00 0.00 C ATOM 166 O LYS A 15 9.930 -2.307 -0.905 1.00 0.00 O ATOM 167 CB LYS A 15 12.321 -3.523 -2.243 1.00 0.00 C ATOM 168 CG LYS A 15 13.269 -4.223 -3.201 1.00 0.00 C ATOM 169 CD LYS A 15 14.708 -4.143 -2.720 1.00 0.00 C ATOM 170 CE LYS A 15 14.903 -4.902 -1.417 1.00 0.00 C ATOM 171 NZ LYS A 15 16.328 -4.904 -0.983 1.00 0.00 N ATOM 0 H LYS A 15 11.721 -1.011 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 15 10.794 -3.641 -3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.845 -2.693 -1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.040 -4.217 -1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.977 -5.268 -3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.189 -3.770 -4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.371 -4.551 -3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.988 -3.099 -2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.287 -4.451 -0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.560 -5.929 -1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.419 -5.431 -0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.913 -5.357 -1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.649 -3.925 -0.840 1.00 0.00 H new ATOM 185 N VAL A 16 8.872 -3.798 -2.217 1.00 0.00 N ATOM 186 CA VAL A 16 7.706 -3.901 -1.348 1.00 0.00 C ATOM 187 C VAL A 16 7.772 -5.157 -0.487 1.00 0.00 C ATOM 188 O VAL A 16 8.120 -6.234 -0.970 1.00 0.00 O ATOM 189 CB VAL A 16 6.399 -3.917 -2.162 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.200 -4.094 -1.243 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.268 -2.644 -2.984 1.00 0.00 C ATOM 0 H VAL A 16 8.827 -4.380 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 16 7.713 -3.022 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 16 6.429 -4.764 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.285 -4.103 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.292 -5.036 -0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.163 -3.270 -0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.339 -2.672 -3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.260 -1.781 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.111 -2.566 -3.670 1.00 0.00 H new ATOM 201 N GLU A 17 7.435 -5.011 0.791 1.00 0.00 N ATOM 202 CA GLU A 17 7.456 -6.135 1.719 1.00 0.00 C ATOM 203 C GLU A 17 6.151 -6.216 2.506 1.00 0.00 C ATOM 204 O GLU A 17 5.749 -5.256 3.164 1.00 0.00 O ATOM 205 CB GLU A 17 8.638 -6.007 2.683 1.00 0.00 C ATOM 206 CG GLU A 17 9.178 -7.344 3.165 1.00 0.00 C ATOM 207 CD GLU A 17 10.084 -7.205 4.372 1.00 0.00 C ATOM 208 OE1 GLU A 17 9.788 -6.359 5.242 1.00 0.00 O ATOM 209 OE2 GLU A 17 11.089 -7.942 4.448 1.00 0.00 O ATOM 0 H GLU A 17 7.144 -4.126 1.207 1.00 0.00 H new ATOM 0 HA GLU A 17 7.567 -7.050 1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.440 -5.457 2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.330 -5.417 3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.344 -8.000 3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.729 -7.823 2.355 1.00 0.00 H new ATOM 216 N PHE A 18 5.493 -7.368 2.432 1.00 0.00 N ATOM 217 CA PHE A 18 4.232 -7.575 3.135 1.00 0.00 C ATOM 218 C PHE A 18 4.401 -8.582 4.269 1.00 0.00 C ATOM 219 O PHE A 18 4.852 -9.706 4.054 1.00 0.00 O ATOM 220 CB PHE A 18 3.155 -8.061 2.163 1.00 0.00 C ATOM 221 CG PHE A 18 2.713 -7.010 1.185 1.00 0.00 C ATOM 222 CD1 PHE A 18 1.967 -5.921 1.608 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.042 -7.110 -0.157 1.00 0.00 C ATOM 224 CE1 PHE A 18 1.558 -4.954 0.711 1.00 0.00 C ATOM 225 CE2 PHE A 18 2.636 -6.145 -1.059 1.00 0.00 C ATOM 226 CZ PHE A 18 1.894 -5.065 -0.624 1.00 0.00 C ATOM 0 H PHE A 18 5.812 -8.173 1.892 1.00 0.00 H new ATOM 0 HA PHE A 18 3.922 -6.621 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.535 -8.922 1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.291 -8.403 2.732 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.703 -5.828 2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.623 -7.952 -0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.976 -4.111 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.899 -6.236 -2.103 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.577 -4.308 -1.326 1.00 0.00 H new ATOM 236 N GLY A 19 4.036 -8.169 5.479 1.00 0.00 N ATOM 237 CA GLY A 19 4.155 -9.045 6.630 1.00 0.00 C ATOM 238 C GLY A 19 2.851 -9.183 7.391 1.00 0.00 C ATOM 239 O GLY A 19 2.433 -8.262 8.092 1.00 0.00 O ATOM 0 H GLY A 19 3.660 -7.243 5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.486 -10.030 6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.923 -8.658 7.299 1.00 0.00 H new ATOM 243 N GLY A 20 2.205 -10.337 7.251 1.00 0.00 N ATOM 244 CA GLY A 20 0.946 -10.570 7.935 1.00 0.00 C ATOM 245 C GLY A 20 -0.065 -11.284 7.061 1.00 0.00 C ATOM 246 O GLY A 20 -1.267 -11.040 7.164 1.00 0.00 O ATOM 0 H GLY A 20 2.531 -11.114 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.128 -11.161 8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.531 -9.616 8.260 1.00 0.00 H new ATOM 250 N GLY A 21 0.422 -12.169 6.197 1.00 0.00 N ATOM 251 CA GLY A 21 -0.462 -12.906 5.312 1.00 0.00 C ATOM 252 C GLY A 21 -0.839 -12.113 4.077 1.00 0.00 C ATOM 253 O GLY A 21 -1.204 -12.686 3.051 1.00 0.00 O ATOM 0 H GLY A 21 1.413 -12.389 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.023 -13.834 5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.367 -13.181 5.854 1.00 0.00 H new ATOM 257 N ALA A 22 -0.753 -10.790 4.176 1.00 0.00 N ATOM 258 CA ALA A 22 -1.088 -9.917 3.058 1.00 0.00 C ATOM 259 C ALA A 22 -0.411 -10.385 1.774 1.00 0.00 C ATOM 260 O ALA A 22 -0.943 -10.202 0.679 1.00 0.00 O ATOM 261 CB ALA A 22 -0.692 -8.482 3.372 1.00 0.00 C ATOM 0 H ALA A 22 -0.454 -10.300 5.019 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.166 -9.960 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.948 -7.841 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.226 -8.143 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.382 -8.432 3.553 1.00 0.00 H new ATOM 267 N GLU A 23 0.764 -10.990 1.916 1.00 0.00 N ATOM 268 CA GLU A 23 1.514 -11.483 0.766 1.00 0.00 C ATOM 269 C GLU A 23 0.613 -12.291 -0.164 1.00 0.00 C ATOM 270 O GLU A 23 0.742 -12.221 -1.387 1.00 0.00 O ATOM 271 CB GLU A 23 2.692 -12.342 1.228 1.00 0.00 C ATOM 272 CG GLU A 23 2.282 -13.525 2.089 1.00 0.00 C ATOM 273 CD GLU A 23 3.351 -13.915 3.092 1.00 0.00 C ATOM 274 OE1 GLU A 23 4.549 -13.772 2.767 1.00 0.00 O ATOM 275 OE2 GLU A 23 2.991 -14.362 4.200 1.00 0.00 O ATOM 0 H GLU A 23 1.217 -11.151 2.816 1.00 0.00 H new ATOM 0 HA GLU A 23 1.896 -10.623 0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.228 -12.709 0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.387 -11.718 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.362 -13.281 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.063 -14.378 1.447 1.00 0.00 H new ATOM 282 N LEU A 24 -0.298 -13.058 0.424 1.00 0.00 N ATOM 283 CA LEU A 24 -1.220 -13.881 -0.351 1.00 0.00 C ATOM 284 C LEU A 24 -1.992 -13.034 -1.357 1.00 0.00 C ATOM 285 O LEU A 24 -2.290 -13.483 -2.464 1.00 0.00 O ATOM 286 CB LEU A 24 -2.196 -14.603 0.581 1.00 0.00 C ATOM 287 CG LEU A 24 -1.568 -15.384 1.735 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.635 -15.816 2.730 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.806 -16.592 1.210 1.00 0.00 C ATOM 0 H LEU A 24 -0.418 -13.127 1.435 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.636 -14.620 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.882 -13.865 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.794 -15.292 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.863 -14.731 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.170 -16.371 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.137 -14.935 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.364 -16.452 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.366 -17.136 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.490 -17.247 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.016 -16.259 0.537 1.00 0.00 H new ATOM 301 N LEU A 25 -2.312 -11.805 -0.966 1.00 0.00 N ATOM 302 CA LEU A 25 -3.048 -10.893 -1.835 1.00 0.00 C ATOM 303 C LEU A 25 -2.172 -10.414 -2.988 1.00 0.00 C ATOM 304 O LEU A 25 -2.653 -9.770 -3.921 1.00 0.00 O ATOM 305 CB LEU A 25 -3.556 -9.693 -1.033 1.00 0.00 C ATOM 306 CG LEU A 25 -4.380 -10.019 0.213 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.202 -8.939 1.268 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.850 -10.179 -0.146 1.00 0.00 C ATOM 0 H LEU A 25 -2.073 -11.417 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.899 -11.433 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.697 -9.094 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.162 -9.071 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.022 -10.963 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.796 -9.188 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.150 -8.873 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.532 -7.981 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.421 -10.411 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.221 -9.252 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.963 -10.989 -0.866 1.00 0.00 H new ATOM 320 N PHE A 26 -0.884 -10.735 -2.919 1.00 0.00 N ATOM 321 CA PHE A 26 0.059 -10.339 -3.958 1.00 0.00 C ATOM 322 C PHE A 26 0.967 -11.504 -4.341 1.00 0.00 C ATOM 323 O PHE A 26 2.072 -11.643 -3.816 1.00 0.00 O ATOM 324 CB PHE A 26 0.904 -9.154 -3.485 1.00 0.00 C ATOM 325 CG PHE A 26 0.096 -8.055 -2.857 1.00 0.00 C ATOM 326 CD1 PHE A 26 -0.303 -8.139 -1.533 1.00 0.00 C ATOM 327 CD2 PHE A 26 -0.266 -6.937 -3.592 1.00 0.00 C ATOM 328 CE1 PHE A 26 -1.046 -7.129 -0.952 1.00 0.00 C ATOM 329 CE2 PHE A 26 -1.009 -5.923 -3.016 1.00 0.00 C ATOM 330 CZ PHE A 26 -1.401 -6.020 -1.695 1.00 0.00 C ATOM 0 H PHE A 26 -0.470 -11.268 -2.154 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.512 -10.041 -4.837 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.642 -9.508 -2.765 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.455 -8.749 -4.334 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.030 -9.005 -0.948 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.036 -6.857 -4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.349 -7.207 0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.283 -5.056 -3.599 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.984 -5.230 -1.244 1.00 0.00 H new ATOM 340 N ASP A 27 0.493 -12.338 -5.260 1.00 0.00 N ATOM 341 CA ASP A 27 1.260 -13.492 -5.715 1.00 0.00 C ATOM 342 C ASP A 27 1.869 -14.240 -4.533 1.00 0.00 C ATOM 343 O ASP A 27 2.924 -14.862 -4.655 1.00 0.00 O ATOM 344 CB ASP A 27 2.363 -13.049 -6.677 1.00 0.00 C ATOM 345 CG ASP A 27 2.862 -11.649 -6.382 1.00 0.00 C ATOM 346 OD1 ASP A 27 2.170 -10.680 -6.759 1.00 0.00 O ATOM 347 OD2 ASP A 27 3.946 -11.520 -5.774 1.00 0.00 O ATOM 0 H ASP A 27 -0.419 -12.236 -5.705 1.00 0.00 H new ATOM 0 HA ASP A 27 0.581 -14.166 -6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.197 -13.749 -6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.987 -13.089 -7.699 1.00 0.00 H new ATOM 352 N GLY A 28 1.198 -14.173 -3.387 1.00 0.00 N ATOM 353 CA GLY A 28 1.689 -14.847 -2.199 1.00 0.00 C ATOM 354 C GLY A 28 3.203 -14.858 -2.123 1.00 0.00 C ATOM 355 O GLY A 28 3.832 -15.904 -2.279 1.00 0.00 O ATOM 0 H GLY A 28 0.323 -13.664 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.287 -14.355 -1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.320 -15.873 -2.188 1.00 0.00 H new ATOM 359 N VAL A 29 3.790 -13.689 -1.882 1.00 0.00 N ATOM 360 CA VAL A 29 5.240 -13.568 -1.786 1.00 0.00 C ATOM 361 C VAL A 29 5.637 -12.556 -0.717 1.00 0.00 C ATOM 362 O VAL A 29 4.914 -11.593 -0.459 1.00 0.00 O ATOM 363 CB VAL A 29 5.858 -13.146 -3.132 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.331 -12.805 -2.959 1.00 0.00 C ATOM 365 CG2 VAL A 29 5.674 -14.242 -4.170 1.00 0.00 C ATOM 0 H VAL A 29 3.284 -12.813 -1.750 1.00 0.00 H new ATOM 0 HA VAL A 29 5.623 -14.551 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 29 5.342 -12.253 -3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.751 -12.509 -3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.433 -11.984 -2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.865 -13.678 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.117 -13.926 -5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.163 -15.154 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.610 -14.432 -4.313 1.00 0.00 H new ATOM 375 N LYS A 30 6.790 -12.781 -0.097 1.00 0.00 N ATOM 376 CA LYS A 30 7.286 -11.888 0.944 1.00 0.00 C ATOM 377 C LYS A 30 7.723 -10.552 0.352 1.00 0.00 C ATOM 378 O LYS A 30 7.142 -9.508 0.653 1.00 0.00 O ATOM 379 CB LYS A 30 8.458 -12.537 1.685 1.00 0.00 C ATOM 380 CG LYS A 30 8.059 -13.747 2.511 1.00 0.00 C ATOM 381 CD LYS A 30 9.274 -14.551 2.944 1.00 0.00 C ATOM 382 CE LYS A 30 8.935 -15.507 4.077 1.00 0.00 C ATOM 383 NZ LYS A 30 10.157 -15.996 4.775 1.00 0.00 N ATOM 0 H LYS A 30 7.399 -13.574 -0.297 1.00 0.00 H new ATOM 0 HA LYS A 30 6.474 -11.705 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.215 -12.836 0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.918 -11.797 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.504 -13.421 3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.390 -14.381 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.660 -15.114 2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.065 -13.873 3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.284 -15.005 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.378 -16.356 3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.883 -16.645 5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.767 -16.497 4.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.675 -15.188 5.175 1.00 0.00 H new ATOM 397 N LYS A 31 8.748 -10.590 -0.491 1.00 0.00 N ATOM 398 CA LYS A 31 9.261 -9.383 -1.128 1.00 0.00 C ATOM 399 C LYS A 31 8.852 -9.326 -2.597 1.00 0.00 C ATOM 400 O LYS A 31 8.836 -10.346 -3.287 1.00 0.00 O ATOM 401 CB LYS A 31 10.786 -9.328 -1.010 1.00 0.00 C ATOM 402 CG LYS A 31 11.274 -8.828 0.338 1.00 0.00 C ATOM 403 CD LYS A 31 11.433 -7.317 0.349 1.00 0.00 C ATOM 404 CE LYS A 31 12.202 -6.846 1.574 1.00 0.00 C ATOM 405 NZ LYS A 31 13.617 -7.309 1.553 1.00 0.00 N ATOM 0 H LYS A 31 9.241 -11.445 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 31 8.831 -8.522 -0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.192 -10.324 -1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.179 -8.679 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.569 -9.126 1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.229 -9.297 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.954 -6.998 -0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.450 -6.847 0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.177 -5.757 1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.712 -7.216 2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.183 -6.726 2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.661 -8.304 1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.997 -7.221 0.589 1.00 0.00 H new ATOM 419 N HIS A 32 8.524 -8.128 -3.069 1.00 0.00 N ATOM 420 CA HIS A 32 8.117 -7.939 -4.457 1.00 0.00 C ATOM 421 C HIS A 32 8.813 -6.726 -5.067 1.00 0.00 C ATOM 422 O HIS A 32 8.691 -5.610 -4.562 1.00 0.00 O ATOM 423 CB HIS A 32 6.600 -7.769 -4.547 1.00 0.00 C ATOM 424 CG HIS A 32 5.846 -8.573 -3.533 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.072 -9.665 -3.863 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.751 -8.439 -2.189 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.533 -10.168 -2.766 1.00 0.00 C ATOM 428 NE2 HIS A 32 4.930 -9.442 -1.737 1.00 0.00 N ATOM 0 H HIS A 32 8.532 -7.274 -2.512 1.00 0.00 H new ATOM 0 HA HIS A 32 8.410 -8.825 -5.020 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.353 -6.715 -4.420 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.269 -8.056 -5.545 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.936 -10.028 -4.806 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.232 -7.684 -1.585 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.879 -11.026 -2.719 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.669 -9.601 -0.764 1.00 0.00 H new ATOM 437 N GLN A 33 9.543 -6.954 -6.154 1.00 0.00 N ATOM 438 CA GLN A 33 10.260 -5.880 -6.831 1.00 0.00 C ATOM 439 C GLN A 33 9.317 -5.066 -7.711 1.00 0.00 C ATOM 440 O GLN A 33 8.707 -5.595 -8.640 1.00 0.00 O ATOM 441 CB GLN A 33 11.399 -6.452 -7.677 1.00 0.00 C ATOM 442 CG GLN A 33 11.034 -7.740 -8.397 1.00 0.00 C ATOM 443 CD GLN A 33 12.065 -8.140 -9.434 1.00 0.00 C ATOM 444 OE1 GLN A 33 13.076 -8.765 -9.112 1.00 0.00 O ATOM 445 NE2 GLN A 33 11.813 -7.783 -10.688 1.00 0.00 N ATOM 0 H GLN A 33 9.653 -7.872 -6.584 1.00 0.00 H new ATOM 0 HA GLN A 33 10.678 -5.221 -6.070 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.703 -5.708 -8.413 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.260 -6.636 -7.035 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.928 -8.543 -7.667 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.065 -7.619 -8.881 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.962 -7.266 -10.910 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.470 -8.026 -11.429 1.00 0.00 H new ATOM 454 N VAL A 34 9.202 -3.776 -7.411 1.00 0.00 N ATOM 455 CA VAL A 34 8.333 -2.888 -8.175 1.00 0.00 C ATOM 456 C VAL A 34 9.148 -1.884 -8.984 1.00 0.00 C ATOM 457 O VAL A 34 10.180 -1.394 -8.525 1.00 0.00 O ATOM 458 CB VAL A 34 7.363 -2.123 -7.255 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.302 -1.407 -8.076 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.724 -3.070 -6.251 1.00 0.00 C ATOM 0 H VAL A 34 9.699 -3.323 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 34 7.757 -3.516 -8.855 1.00 0.00 H new ATOM 0 HB VAL A 34 7.928 -1.372 -6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.626 -0.872 -7.409 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.781 -0.699 -8.752 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.737 -2.137 -8.656 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.042 -2.513 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.171 -3.845 -6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.501 -3.532 -5.641 1.00 0.00 H new ATOM 470 N ALA A 35 8.677 -1.583 -10.189 1.00 0.00 N ATOM 471 CA ALA A 35 9.360 -0.635 -11.061 1.00 0.00 C ATOM 472 C ALA A 35 8.379 0.371 -11.653 1.00 0.00 C ATOM 473 O ALA A 35 7.905 0.204 -12.777 1.00 0.00 O ATOM 474 CB ALA A 35 10.095 -1.373 -12.170 1.00 0.00 C ATOM 0 H ALA A 35 7.825 -1.982 -10.584 1.00 0.00 H new ATOM 0 HA ALA A 35 10.086 -0.086 -10.462 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.600 -0.653 -12.813 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.831 -2.048 -11.732 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.381 -1.948 -12.760 1.00 0.00 H new ATOM 480 N LEU A 36 8.079 1.417 -10.890 1.00 0.00 N ATOM 481 CA LEU A 36 7.153 2.451 -11.340 1.00 0.00 C ATOM 482 C LEU A 36 7.657 3.115 -12.618 1.00 0.00 C ATOM 483 O LEU A 36 8.855 3.329 -12.804 1.00 0.00 O ATOM 484 CB LEU A 36 6.963 3.503 -10.246 1.00 0.00 C ATOM 485 CG LEU A 36 6.683 2.968 -8.841 1.00 0.00 C ATOM 486 CD1 LEU A 36 7.007 4.022 -7.794 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.233 2.522 -8.720 1.00 0.00 C ATOM 0 H LEU A 36 8.463 1.571 -9.958 1.00 0.00 H new ATOM 0 HA LEU A 36 6.194 1.978 -11.552 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.859 4.122 -10.205 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.139 4.155 -10.536 1.00 0.00 H new ATOM 0 HG LEU A 36 7.324 2.104 -8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.801 3.623 -6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.060 4.294 -7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.392 4.906 -7.965 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.051 2.144 -7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.575 3.369 -8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.033 1.733 -9.445 1.00 0.00 H new ATOM 499 N PRO A 37 6.722 3.450 -13.519 1.00 0.00 N ATOM 500 CA PRO A 37 7.047 4.097 -14.793 1.00 0.00 C ATOM 501 C PRO A 37 7.524 5.533 -14.609 1.00 0.00 C ATOM 502 O PRO A 37 7.444 6.089 -13.515 1.00 0.00 O ATOM 503 CB PRO A 37 5.719 4.068 -15.554 1.00 0.00 C ATOM 504 CG PRO A 37 4.675 4.014 -14.493 1.00 0.00 C ATOM 505 CD PRO A 37 5.275 3.224 -13.362 1.00 0.00 C ATOM 0 HA PRO A 37 7.862 3.591 -15.311 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.602 4.953 -16.180 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.659 3.202 -16.213 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.399 5.016 -14.166 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.767 3.538 -14.863 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.916 3.573 -12.394 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.023 2.166 -13.433 1.00 0.00 H new ATOM 513 N GLY A 38 8.022 6.130 -15.689 1.00 0.00 N ATOM 514 CA GLY A 38 8.505 7.497 -15.624 1.00 0.00 C ATOM 515 C GLY A 38 7.500 8.493 -16.167 1.00 0.00 C ATOM 516 O GLY A 38 6.916 8.279 -17.229 1.00 0.00 O ATOM 0 H GLY A 38 8.099 5.691 -16.607 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.738 7.748 -14.589 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.434 7.578 -16.189 1.00 0.00 H new ATOM 520 N GLN A 39 7.296 9.584 -15.435 1.00 0.00 N ATOM 521 CA GLN A 39 6.352 10.615 -15.849 1.00 0.00 C ATOM 522 C GLN A 39 6.690 11.954 -15.202 1.00 0.00 C ATOM 523 O GLN A 39 7.470 12.015 -14.252 1.00 0.00 O ATOM 524 CB GLN A 39 4.924 10.205 -15.485 1.00 0.00 C ATOM 525 CG GLN A 39 4.813 9.528 -14.128 1.00 0.00 C ATOM 526 CD GLN A 39 3.426 9.649 -13.527 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.463 9.975 -14.221 1.00 0.00 O ATOM 528 NE2 GLN A 39 3.318 9.386 -12.230 1.00 0.00 N ATOM 0 H GLN A 39 7.771 9.776 -14.553 1.00 0.00 H new ATOM 0 HA GLN A 39 6.426 10.726 -16.931 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.287 11.090 -15.494 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.542 9.530 -16.251 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.070 8.474 -14.230 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.540 9.969 -13.446 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.143 9.119 -11.693 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.410 9.451 -11.770 1.00 0.00 H new ATOM 537 N GLU A 40 6.098 13.024 -15.723 1.00 0.00 N ATOM 538 CA GLU A 40 6.338 14.362 -15.195 1.00 0.00 C ATOM 539 C GLU A 40 6.008 14.427 -13.707 1.00 0.00 C ATOM 540 O GLU A 40 6.682 15.115 -12.941 1.00 0.00 O ATOM 541 CB GLU A 40 5.505 15.393 -15.960 1.00 0.00 C ATOM 542 CG GLU A 40 5.994 15.641 -17.377 1.00 0.00 C ATOM 543 CD GLU A 40 5.351 14.710 -18.387 1.00 0.00 C ATOM 544 OE1 GLU A 40 4.184 14.321 -18.174 1.00 0.00 O ATOM 545 OE2 GLU A 40 6.014 14.372 -19.389 1.00 0.00 O ATOM 0 H GLU A 40 5.449 12.991 -16.509 1.00 0.00 H new ATOM 0 HA GLU A 40 7.396 14.592 -15.325 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.469 15.056 -15.996 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.515 16.335 -15.411 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.783 16.674 -17.655 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.076 15.516 -17.411 1.00 0.00 H new ATOM 552 N GLU A 41 4.964 13.707 -13.306 1.00 0.00 N ATOM 553 CA GLU A 41 4.544 13.685 -11.910 1.00 0.00 C ATOM 554 C GLU A 41 5.192 12.522 -11.165 1.00 0.00 C ATOM 555 O GLU A 41 5.207 11.383 -11.633 1.00 0.00 O ATOM 556 CB GLU A 41 3.020 13.579 -11.815 1.00 0.00 C ATOM 557 CG GLU A 41 2.290 14.788 -12.377 1.00 0.00 C ATOM 558 CD GLU A 41 0.862 14.891 -11.879 1.00 0.00 C ATOM 559 OE1 GLU A 41 0.668 14.969 -10.647 1.00 0.00 O ATOM 560 OE2 GLU A 41 -0.062 14.893 -12.719 1.00 0.00 O ATOM 0 H GLU A 41 4.395 13.132 -13.927 1.00 0.00 H new ATOM 0 HA GLU A 41 4.867 14.617 -11.445 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.692 12.687 -12.348 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.738 13.448 -10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.832 15.694 -12.105 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.288 14.733 -13.466 1.00 0.00 H new ATOM 567 N PRO A 42 5.742 12.814 -9.977 1.00 0.00 N ATOM 568 CA PRO A 42 6.402 11.806 -9.141 1.00 0.00 C ATOM 569 C PRO A 42 5.415 10.807 -8.549 1.00 0.00 C ATOM 570 O PRO A 42 4.308 11.174 -8.154 1.00 0.00 O ATOM 571 CB PRO A 42 7.053 12.637 -8.032 1.00 0.00 C ATOM 572 CG PRO A 42 6.231 13.877 -7.956 1.00 0.00 C ATOM 573 CD PRO A 42 5.761 14.150 -9.358 1.00 0.00 C ATOM 0 HA PRO A 42 7.108 11.202 -9.711 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.050 12.101 -7.083 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.093 12.865 -8.267 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.386 13.744 -7.280 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.818 14.711 -7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.774 14.612 -9.368 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.435 14.827 -9.883 1.00 0.00 H new ATOM 581 N TRP A 43 5.823 9.545 -8.489 1.00 0.00 N ATOM 582 CA TRP A 43 4.973 8.492 -7.943 1.00 0.00 C ATOM 583 C TRP A 43 4.784 8.669 -6.441 1.00 0.00 C ATOM 584 O TRP A 43 5.666 8.328 -5.651 1.00 0.00 O ATOM 585 CB TRP A 43 5.576 7.118 -8.236 1.00 0.00 C ATOM 586 CG TRP A 43 5.149 6.550 -9.556 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.805 6.664 -10.748 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.969 5.782 -9.817 1.00 0.00 C ATOM 589 NE1 TRP A 43 5.104 6.012 -11.735 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.974 5.463 -11.189 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.909 5.332 -9.025 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.961 4.716 -11.783 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.904 4.591 -9.616 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.936 4.288 -10.984 1.00 0.00 C ATOM 0 H TRP A 43 6.736 9.225 -8.811 1.00 0.00 H new ATOM 0 HA TRP A 43 3.997 8.562 -8.423 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.663 7.195 -8.216 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.291 6.427 -7.442 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.737 7.189 -10.894 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.381 5.948 -12.715 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.876 5.560 -7.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.983 4.482 -12.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.080 4.239 -9.014 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.136 3.705 -11.416 1.00 0.00 H new ATOM 605 N ASP A 44 3.632 9.202 -6.052 1.00 0.00 N ATOM 606 CA ASP A 44 3.328 9.422 -4.643 1.00 0.00 C ATOM 607 C ASP A 44 2.516 8.263 -4.074 1.00 0.00 C ATOM 608 O ASP A 44 1.870 7.522 -4.816 1.00 0.00 O ATOM 609 CB ASP A 44 2.562 10.734 -4.463 1.00 0.00 C ATOM 610 CG ASP A 44 2.926 11.765 -5.513 1.00 0.00 C ATOM 611 OD1 ASP A 44 4.122 11.861 -5.860 1.00 0.00 O ATOM 612 OD2 ASP A 44 2.016 12.478 -5.986 1.00 0.00 O ATOM 0 H ASP A 44 2.892 9.490 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 44 4.271 9.483 -4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.491 10.535 -4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.769 11.139 -3.473 1.00 0.00 H new ATOM 617 N ILE A 45 2.554 8.111 -2.755 1.00 0.00 N ATOM 618 CA ILE A 45 1.821 7.042 -2.088 1.00 0.00 C ATOM 619 C ILE A 45 0.474 6.796 -2.759 1.00 0.00 C ATOM 620 O ILE A 45 0.211 5.705 -3.263 1.00 0.00 O ATOM 621 CB ILE A 45 1.590 7.362 -0.599 1.00 0.00 C ATOM 622 CG1 ILE A 45 2.927 7.581 0.112 1.00 0.00 C ATOM 623 CG2 ILE A 45 0.807 6.241 0.068 1.00 0.00 C ATOM 624 CD1 ILE A 45 3.898 6.434 -0.060 1.00 0.00 C ATOM 0 H ILE A 45 3.085 8.715 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 45 2.432 6.143 -2.168 1.00 0.00 H new ATOM 0 HB ILE A 45 1.007 8.280 -0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.385 8.494 -0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.743 7.734 1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.652 6.481 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.159 6.128 -0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.366 5.309 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.824 6.658 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.459 5.522 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.112 6.294 -1.120 1.00 0.00 H new ATOM 636 N ARG A 46 -0.374 7.819 -2.762 1.00 0.00 N ATOM 637 CA ARG A 46 -1.694 7.715 -3.372 1.00 0.00 C ATOM 638 C ARG A 46 -1.614 7.016 -4.726 1.00 0.00 C ATOM 639 O ARG A 46 -2.504 6.250 -5.093 1.00 0.00 O ATOM 640 CB ARG A 46 -2.313 9.104 -3.539 1.00 0.00 C ATOM 641 CG ARG A 46 -1.342 10.143 -4.074 1.00 0.00 C ATOM 642 CD ARG A 46 -2.032 11.475 -4.322 1.00 0.00 C ATOM 643 NE ARG A 46 -3.238 11.325 -5.132 1.00 0.00 N ATOM 644 CZ ARG A 46 -4.124 12.297 -5.319 1.00 0.00 C ATOM 645 NH1 ARG A 46 -3.940 13.483 -4.757 1.00 0.00 N ATOM 646 NH2 ARG A 46 -5.197 12.082 -6.070 1.00 0.00 N ATOM 0 H ARG A 46 -0.171 8.729 -2.349 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.325 7.120 -2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.165 9.034 -4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.697 9.440 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.527 10.281 -3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.898 9.784 -5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.291 11.932 -3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.341 12.153 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.409 10.424 -5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.116 13.651 -4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.622 14.228 -4.902 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.342 11.170 -6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.877 12.829 -6.213 1.00 0.00 H new ATOM 660 N ASN A 47 -0.541 7.285 -5.462 1.00 0.00 N ATOM 661 CA ASN A 47 -0.345 6.683 -6.776 1.00 0.00 C ATOM 662 C ASN A 47 0.141 5.242 -6.647 1.00 0.00 C ATOM 663 O ASN A 47 -0.383 4.338 -7.299 1.00 0.00 O ATOM 664 CB ASN A 47 0.659 7.501 -7.591 1.00 0.00 C ATOM 665 CG ASN A 47 -0.004 8.618 -8.372 1.00 0.00 C ATOM 666 OD1 ASN A 47 -0.334 8.458 -9.547 1.00 0.00 O ATOM 667 ND2 ASN A 47 -0.202 9.759 -7.721 1.00 0.00 N ATOM 0 H ASN A 47 0.206 7.916 -5.171 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.305 6.679 -7.293 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.407 7.924 -6.921 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.185 6.842 -8.281 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.644 10.547 -8.195 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.088 9.847 -6.747 1.00 0.00 H new ATOM 674 N LEU A 48 1.144 5.036 -5.801 1.00 0.00 N ATOM 675 CA LEU A 48 1.701 3.705 -5.585 1.00 0.00 C ATOM 676 C LEU A 48 0.603 2.705 -5.237 1.00 0.00 C ATOM 677 O LEU A 48 0.638 1.553 -5.671 1.00 0.00 O ATOM 678 CB LEU A 48 2.745 3.743 -4.467 1.00 0.00 C ATOM 679 CG LEU A 48 3.402 2.408 -4.117 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.424 2.022 -5.175 1.00 0.00 C ATOM 681 CD2 LEU A 48 4.054 2.478 -2.744 1.00 0.00 C ATOM 0 H LEU A 48 1.588 5.773 -5.253 1.00 0.00 H new ATOM 0 HA LEU A 48 2.179 3.384 -6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.527 4.447 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.272 4.139 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 48 2.629 1.640 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.881 1.069 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.929 1.930 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.195 2.790 -5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.517 1.519 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.815 3.258 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.298 2.707 -1.993 1.00 0.00 H new ATOM 693 N LEU A 49 -0.372 3.153 -4.454 1.00 0.00 N ATOM 694 CA LEU A 49 -1.482 2.299 -4.049 1.00 0.00 C ATOM 695 C LEU A 49 -2.103 1.605 -5.257 1.00 0.00 C ATOM 696 O LEU A 49 -2.070 0.379 -5.368 1.00 0.00 O ATOM 697 CB LEU A 49 -2.544 3.121 -3.318 1.00 0.00 C ATOM 698 CG LEU A 49 -2.400 3.203 -1.797 1.00 0.00 C ATOM 699 CD1 LEU A 49 -2.214 1.816 -1.203 1.00 0.00 C ATOM 700 CD2 LEU A 49 -1.235 4.107 -1.420 1.00 0.00 C ATOM 0 H LEU A 49 -0.416 4.104 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.094 1.536 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.530 4.134 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.523 2.700 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.315 3.632 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.113 1.894 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.079 1.198 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.316 1.360 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.147 4.154 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.313 3.707 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.409 5.108 -1.813 1.00 0.00 H new ATOM 712 N VAL A 50 -2.668 2.397 -6.163 1.00 0.00 N ATOM 713 CA VAL A 50 -3.294 1.860 -7.365 1.00 0.00 C ATOM 714 C VAL A 50 -2.462 0.729 -7.960 1.00 0.00 C ATOM 715 O VAL A 50 -2.850 -0.437 -7.902 1.00 0.00 O ATOM 716 CB VAL A 50 -3.491 2.953 -8.432 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.182 2.382 -9.661 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.283 4.119 -7.859 1.00 0.00 C ATOM 0 H VAL A 50 -2.705 3.413 -6.087 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.269 1.473 -7.068 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.511 3.322 -8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.312 3.169 -10.404 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.573 1.583 -10.083 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.157 1.984 -9.379 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.413 4.882 -8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.260 3.767 -7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.744 4.544 -7.012 1.00 0.00 H new ATOM 728 N TRP A 51 -1.316 1.083 -8.530 1.00 0.00 N ATOM 729 CA TRP A 51 -0.427 0.098 -9.136 1.00 0.00 C ATOM 730 C TRP A 51 -0.422 -1.197 -8.331 1.00 0.00 C ATOM 731 O TRP A 51 -0.800 -2.254 -8.837 1.00 0.00 O ATOM 732 CB TRP A 51 0.993 0.656 -9.236 1.00 0.00 C ATOM 733 CG TRP A 51 1.901 -0.181 -10.087 1.00 0.00 C ATOM 734 CD1 TRP A 51 2.236 0.041 -11.392 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.588 -1.373 -9.691 1.00 0.00 C ATOM 736 NE1 TRP A 51 3.090 -0.942 -11.832 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.322 -1.821 -10.807 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.656 -2.105 -8.502 1.00 0.00 C ATOM 739 CZ2 TRP A 51 4.111 -2.967 -10.767 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.440 -3.242 -8.465 1.00 0.00 C ATOM 741 CH2 TRP A 51 4.160 -3.664 -9.591 1.00 0.00 C ATOM 0 H TRP A 51 -0.980 2.045 -8.585 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.795 -0.120 -10.138 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.951 1.665 -9.645 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.416 0.735 -8.235 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.882 0.867 -11.990 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.487 -1.007 -12.769 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.106 -1.788 -7.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.665 -3.294 -11.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.499 -3.816 -7.552 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.765 -4.556 -9.529 1.00 0.00 H new ATOM 752 N ILE A 52 0.007 -1.108 -7.077 1.00 0.00 N ATOM 753 CA ILE A 52 0.060 -2.274 -6.203 1.00 0.00 C ATOM 754 C ILE A 52 -1.314 -2.923 -6.071 1.00 0.00 C ATOM 755 O ILE A 52 -1.424 -4.135 -5.884 1.00 0.00 O ATOM 756 CB ILE A 52 0.577 -1.903 -4.801 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.087 -1.655 -4.839 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.241 -3.003 -3.805 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.647 -1.132 -3.535 1.00 0.00 C ATOM 0 H ILE A 52 0.323 -0.241 -6.643 1.00 0.00 H new ATOM 0 HA ILE A 52 0.752 -2.981 -6.660 1.00 0.00 H new ATOM 0 HB ILE A 52 0.085 -0.985 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.593 -2.586 -5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.310 -0.942 -5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.613 -2.726 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.840 -3.136 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.709 -3.935 -4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.722 -0.980 -3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.168 -0.185 -3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.456 -1.854 -2.741 1.00 0.00 H new ATOM 771 N LYS A 53 -2.359 -2.110 -6.171 1.00 0.00 N ATOM 772 CA LYS A 53 -3.727 -2.604 -6.065 1.00 0.00 C ATOM 773 C LYS A 53 -4.251 -3.048 -7.427 1.00 0.00 C ATOM 774 O LYS A 53 -5.295 -3.693 -7.522 1.00 0.00 O ATOM 775 CB LYS A 53 -4.639 -1.521 -5.484 1.00 0.00 C ATOM 776 CG LYS A 53 -4.303 -1.149 -4.050 1.00 0.00 C ATOM 777 CD LYS A 53 -4.840 0.227 -3.692 1.00 0.00 C ATOM 778 CE LYS A 53 -6.349 0.299 -3.864 1.00 0.00 C ATOM 779 NZ LYS A 53 -6.732 0.629 -5.265 1.00 0.00 N ATOM 0 H LYS A 53 -2.285 -1.104 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.725 -3.465 -5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.573 -0.629 -6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.672 -1.865 -5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.723 -1.892 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.222 -1.166 -3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.579 0.463 -2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.365 0.979 -4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.793 -0.656 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.756 1.052 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.500 1.330 -5.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.909 1.021 -5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.054 -0.233 -5.749 1.00 0.00 H new ATOM 793 N LYS A 54 -3.520 -2.699 -8.480 1.00 0.00 N ATOM 794 CA LYS A 54 -3.909 -3.063 -9.837 1.00 0.00 C ATOM 795 C LYS A 54 -3.201 -4.339 -10.282 1.00 0.00 C ATOM 796 O LYS A 54 -3.841 -5.358 -10.538 1.00 0.00 O ATOM 797 CB LYS A 54 -3.585 -1.924 -10.806 1.00 0.00 C ATOM 798 CG LYS A 54 -4.699 -0.898 -10.933 1.00 0.00 C ATOM 799 CD LYS A 54 -5.710 -1.301 -11.992 1.00 0.00 C ATOM 800 CE LYS A 54 -6.727 -0.198 -12.241 1.00 0.00 C ATOM 801 NZ LYS A 54 -7.693 -0.070 -11.114 1.00 0.00 N ATOM 0 H LYS A 54 -2.654 -2.164 -8.419 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.984 -3.243 -9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.676 -1.422 -10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.375 -2.344 -11.790 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.202 -0.785 -9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.273 0.073 -11.186 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.191 -1.535 -12.921 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.226 -2.208 -11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.208 0.750 -12.384 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.270 -0.406 -13.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.370 0.692 -11.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.207 -0.966 -10.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.178 0.154 -10.239 1.00 0.00 H new ATOM 815 N ASN A 55 -1.876 -4.275 -10.371 1.00 0.00 N ATOM 816 CA ASN A 55 -1.082 -5.426 -10.784 1.00 0.00 C ATOM 817 C ASN A 55 -0.678 -6.269 -9.578 1.00 0.00 C ATOM 818 O ASN A 55 -1.188 -7.373 -9.379 1.00 0.00 O ATOM 819 CB ASN A 55 0.166 -4.966 -11.540 1.00 0.00 C ATOM 820 CG ASN A 55 0.638 -3.595 -11.096 1.00 0.00 C ATOM 821 OD1 ASN A 55 0.996 -3.395 -9.936 1.00 0.00 O ATOM 822 ND2 ASN A 55 0.639 -2.642 -12.022 1.00 0.00 N ATOM 0 H ASN A 55 -1.330 -3.439 -10.163 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.694 -6.040 -11.445 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.967 -5.690 -11.388 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.047 -4.946 -12.609 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.945 -1.699 -11.783 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.334 -2.854 -12.972 1.00 0.00 H new ATOM 829 N LEU A 56 0.242 -5.743 -8.777 1.00 0.00 N ATOM 830 CA LEU A 56 0.715 -6.446 -7.589 1.00 0.00 C ATOM 831 C LEU A 56 -0.430 -7.185 -6.902 1.00 0.00 C ATOM 832 O LEU A 56 -0.306 -8.361 -6.559 1.00 0.00 O ATOM 833 CB LEU A 56 1.361 -5.462 -6.613 1.00 0.00 C ATOM 834 CG LEU A 56 2.518 -6.008 -5.776 1.00 0.00 C ATOM 835 CD1 LEU A 56 3.658 -6.464 -6.674 1.00 0.00 C ATOM 836 CD2 LEU A 56 3.003 -4.959 -4.787 1.00 0.00 C ATOM 0 H LEU A 56 0.675 -4.832 -8.928 1.00 0.00 H new ATOM 0 HA LEU A 56 1.459 -7.178 -7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.722 -4.604 -7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.590 -5.095 -5.935 1.00 0.00 H new ATOM 0 HG LEU A 56 2.159 -6.870 -5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.472 -6.849 -6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.303 -7.249 -7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.016 -5.620 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.827 -5.366 -4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.345 -4.078 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.186 -4.681 -4.121 1.00 0.00 H new ATOM 848 N LEU A 57 -1.543 -6.488 -6.706 1.00 0.00 N ATOM 849 CA LEU A 57 -2.712 -7.078 -6.062 1.00 0.00 C ATOM 850 C LEU A 57 -3.434 -8.029 -7.010 1.00 0.00 C ATOM 851 O LEU A 57 -3.972 -7.611 -8.036 1.00 0.00 O ATOM 852 CB LEU A 57 -3.669 -5.980 -5.594 1.00 0.00 C ATOM 853 CG LEU A 57 -4.902 -6.450 -4.821 1.00 0.00 C ATOM 854 CD1 LEU A 57 -4.502 -6.996 -3.459 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.901 -5.312 -4.668 1.00 0.00 C ATOM 0 H LEU A 57 -1.661 -5.514 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.372 -7.647 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.113 -5.285 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.004 -5.421 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.378 -7.252 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.392 -7.326 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.824 -7.840 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.002 -6.215 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.772 -5.664 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.435 -4.490 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.212 -4.966 -5.654 1.00 0.00 H new ATOM 867 N LYS A 58 -3.445 -9.310 -6.660 1.00 0.00 N ATOM 868 CA LYS A 58 -4.105 -10.322 -7.477 1.00 0.00 C ATOM 869 C LYS A 58 -5.482 -10.662 -6.916 1.00 0.00 C ATOM 870 O LYS A 58 -6.328 -11.215 -7.617 1.00 0.00 O ATOM 871 CB LYS A 58 -3.246 -11.587 -7.551 1.00 0.00 C ATOM 872 CG LYS A 58 -4.031 -12.835 -7.916 1.00 0.00 C ATOM 873 CD LYS A 58 -4.548 -12.770 -9.344 1.00 0.00 C ATOM 874 CE LYS A 58 -5.622 -13.817 -9.595 1.00 0.00 C ATOM 875 NZ LYS A 58 -6.959 -13.366 -9.120 1.00 0.00 N ATOM 0 H LYS A 58 -3.004 -9.673 -5.815 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.231 -9.916 -8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.456 -11.437 -8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.760 -11.743 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.396 -13.713 -7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.869 -12.953 -7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.953 -11.777 -9.541 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.722 -12.921 -10.039 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.671 -14.038 -10.661 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.351 -14.744 -9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.539 -14.195 -8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.844 -12.765 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.429 -12.822 -9.872 1.00 0.00 H new ATOM 889 N GLU A 59 -5.699 -10.326 -5.648 1.00 0.00 N ATOM 890 CA GLU A 59 -6.974 -10.595 -4.994 1.00 0.00 C ATOM 891 C GLU A 59 -7.808 -9.323 -4.883 1.00 0.00 C ATOM 892 O GLU A 59 -7.427 -8.271 -5.399 1.00 0.00 O ATOM 893 CB GLU A 59 -6.744 -11.190 -3.603 1.00 0.00 C ATOM 894 CG GLU A 59 -6.439 -12.679 -3.621 1.00 0.00 C ATOM 895 CD GLU A 59 -5.698 -13.137 -2.380 1.00 0.00 C ATOM 896 OE1 GLU A 59 -6.150 -12.809 -1.263 1.00 0.00 O ATOM 897 OE2 GLU A 59 -4.665 -13.824 -2.526 1.00 0.00 O ATOM 0 H GLU A 59 -5.008 -9.867 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.520 -11.315 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.918 -10.664 -3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.630 -11.016 -2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.372 -13.236 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.843 -12.913 -4.503 1.00 0.00 H new ATOM 904 N ARG A 60 -8.948 -9.426 -4.208 1.00 0.00 N ATOM 905 CA ARG A 60 -9.838 -8.285 -4.031 1.00 0.00 C ATOM 906 C ARG A 60 -9.200 -7.234 -3.127 1.00 0.00 C ATOM 907 O ARG A 60 -8.729 -7.528 -2.028 1.00 0.00 O ATOM 908 CB ARG A 60 -11.173 -8.739 -3.439 1.00 0.00 C ATOM 909 CG ARG A 60 -12.057 -9.481 -4.429 1.00 0.00 C ATOM 910 CD ARG A 60 -12.813 -8.518 -5.331 1.00 0.00 C ATOM 911 NE ARG A 60 -13.677 -9.218 -6.277 1.00 0.00 N ATOM 912 CZ ARG A 60 -14.493 -8.600 -7.124 1.00 0.00 C ATOM 913 NH1 ARG A 60 -14.555 -7.276 -7.142 1.00 0.00 N ATOM 914 NH2 ARG A 60 -15.248 -9.307 -7.955 1.00 0.00 N ATOM 0 H ARG A 60 -9.277 -10.289 -3.774 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.016 -7.839 -5.010 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.980 -9.385 -2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.711 -7.867 -3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.445 -10.147 -5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.766 -10.107 -3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.415 -7.845 -4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.101 -7.900 -5.879 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.653 -10.238 -6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.976 -6.730 -6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.182 -6.804 -7.793 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.202 -10.326 -7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.874 -8.832 -8.605 1.00 0.00 H new ATOM 928 N PRO A 61 -9.184 -5.978 -3.598 1.00 0.00 N ATOM 929 CA PRO A 61 -8.607 -4.858 -2.849 1.00 0.00 C ATOM 930 C PRO A 61 -9.438 -4.491 -1.624 1.00 0.00 C ATOM 931 O PRO A 61 -8.894 -4.189 -0.562 1.00 0.00 O ATOM 932 CB PRO A 61 -8.614 -3.712 -3.863 1.00 0.00 C ATOM 933 CG PRO A 61 -9.708 -4.054 -4.814 1.00 0.00 C ATOM 934 CD PRO A 61 -9.727 -5.555 -4.900 1.00 0.00 C ATOM 0 HA PRO A 61 -7.617 -5.095 -2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.798 -2.754 -3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.655 -3.631 -4.375 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.666 -3.671 -4.461 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.528 -3.609 -5.793 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.736 -5.936 -5.057 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.117 -5.918 -5.727 1.00 0.00 H new ATOM 942 N GLU A 62 -10.757 -4.521 -1.779 1.00 0.00 N ATOM 943 CA GLU A 62 -11.662 -4.191 -0.685 1.00 0.00 C ATOM 944 C GLU A 62 -11.252 -4.911 0.597 1.00 0.00 C ATOM 945 O GLU A 62 -11.522 -4.439 1.702 1.00 0.00 O ATOM 946 CB GLU A 62 -13.100 -4.561 -1.053 1.00 0.00 C ATOM 947 CG GLU A 62 -13.319 -6.055 -1.225 1.00 0.00 C ATOM 948 CD GLU A 62 -14.709 -6.387 -1.734 1.00 0.00 C ATOM 949 OE1 GLU A 62 -14.909 -6.364 -2.966 1.00 0.00 O ATOM 950 OE2 GLU A 62 -15.595 -6.669 -0.900 1.00 0.00 O ATOM 0 H GLU A 62 -11.223 -4.770 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.604 -3.116 -0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.771 -4.191 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.371 -4.054 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.578 -6.449 -1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.157 -6.554 -0.270 1.00 0.00 H new ATOM 957 N LEU A 63 -10.599 -6.057 0.440 1.00 0.00 N ATOM 958 CA LEU A 63 -10.151 -6.844 1.584 1.00 0.00 C ATOM 959 C LEU A 63 -8.848 -6.289 2.151 1.00 0.00 C ATOM 960 O LEU A 63 -8.654 -6.251 3.366 1.00 0.00 O ATOM 961 CB LEU A 63 -9.961 -8.307 1.178 1.00 0.00 C ATOM 962 CG LEU A 63 -11.239 -9.131 1.021 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.271 -8.719 2.060 1.00 0.00 C ATOM 964 CD2 LEU A 63 -11.803 -8.978 -0.384 1.00 0.00 C ATOM 0 H LEU A 63 -10.368 -6.462 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.917 -6.784 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.417 -8.333 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.330 -8.791 1.923 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.993 -10.181 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.174 -9.316 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.866 -8.881 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.513 -7.664 1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.712 -9.571 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.033 -7.929 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.068 -9.324 -1.111 1.00 0.00 H new ATOM 976 N PHE A 64 -7.959 -5.857 1.263 1.00 0.00 N ATOM 977 CA PHE A 64 -6.675 -5.302 1.674 1.00 0.00 C ATOM 978 C PHE A 64 -6.773 -3.792 1.872 1.00 0.00 C ATOM 979 O PHE A 64 -6.724 -3.299 2.999 1.00 0.00 O ATOM 980 CB PHE A 64 -5.600 -5.622 0.634 1.00 0.00 C ATOM 981 CG PHE A 64 -4.211 -5.255 1.074 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.657 -5.823 2.210 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.460 -4.342 0.351 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.380 -5.485 2.617 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.182 -4.001 0.753 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.642 -4.575 1.887 1.00 0.00 C ATOM 0 H PHE A 64 -8.104 -5.881 0.254 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.398 -5.758 2.624 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.631 -6.688 0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.831 -5.093 -0.290 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.229 -6.537 2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.878 -3.891 -0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.960 -5.933 3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.607 -3.287 0.181 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.643 -4.312 2.202 1.00 0.00 H new ATOM 996 N ILE A 65 -6.912 -3.065 0.769 1.00 0.00 N ATOM 997 CA ILE A 65 -7.018 -1.612 0.821 1.00 0.00 C ATOM 998 C ILE A 65 -8.316 -1.132 0.179 1.00 0.00 C ATOM 999 O ILE A 65 -8.805 -1.732 -0.777 1.00 0.00 O ATOM 1000 CB ILE A 65 -5.829 -0.935 0.114 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.525 -1.244 0.853 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -6.050 0.567 0.025 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.287 -1.016 0.016 1.00 0.00 C ATOM 0 H ILE A 65 -6.954 -3.458 -0.171 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.011 -1.333 1.875 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.754 -1.332 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.468 -0.624 1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.543 -2.282 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.201 1.031 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.960 0.768 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.148 0.980 1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.401 -1.255 0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.321 -1.656 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.245 0.028 -0.295 1.00 0.00 H new ATOM 1015 N GLN A 66 -8.867 -0.046 0.712 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.107 0.515 0.191 1.00 0.00 C ATOM 1017 C GLN A 66 -9.919 1.975 -0.208 1.00 0.00 C ATOM 1018 O GLN A 66 -9.725 2.841 0.644 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.222 0.397 1.232 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.617 0.558 0.650 1.00 0.00 C ATOM 1021 CD GLN A 66 -13.095 -0.687 -0.072 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.236 -1.752 0.530 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -13.347 -0.559 -1.369 1.00 0.00 N ATOM 0 H GLN A 66 -8.474 0.462 1.504 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.388 -0.051 -0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.151 -0.575 1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.069 1.152 2.003 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.315 0.799 1.451 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.623 1.400 -0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.216 0.343 -1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.671 -1.362 -1.907 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.978 2.241 -1.509 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.811 3.597 -1.998 1.00 0.00 C ATOM 1034 C GLY A 67 -8.370 3.916 -2.343 1.00 0.00 C ATOM 1035 O GLY A 67 -7.497 3.053 -2.253 1.00 0.00 O ATOM 0 H GLY A 67 -10.139 1.541 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.433 3.740 -2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.164 4.298 -1.242 1.00 0.00 H new ATOM 1039 N ASP A 68 -8.120 5.158 -2.742 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.775 5.589 -3.103 1.00 0.00 C ATOM 1041 C ASP A 68 -5.839 5.514 -1.901 1.00 0.00 C ATOM 1042 O ASP A 68 -4.619 5.588 -2.046 1.00 0.00 O ATOM 1043 CB ASP A 68 -6.804 7.016 -3.654 1.00 0.00 C ATOM 1044 CG ASP A 68 -7.540 7.111 -4.976 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -8.789 7.091 -4.962 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -6.868 7.205 -6.024 1.00 0.00 O ATOM 0 H ASP A 68 -8.832 5.884 -2.824 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.400 4.917 -3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.282 7.673 -2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.782 7.373 -3.784 1.00 0.00 H new ATOM 1051 N SER A 69 -6.419 5.369 -0.714 1.00 0.00 N ATOM 1052 CA SER A 69 -5.637 5.288 0.514 1.00 0.00 C ATOM 1053 C SER A 69 -5.719 3.891 1.120 1.00 0.00 C ATOM 1054 O SER A 69 -6.610 3.109 0.788 1.00 0.00 O ATOM 1055 CB SER A 69 -6.130 6.325 1.526 1.00 0.00 C ATOM 1056 OG SER A 69 -7.531 6.514 1.422 1.00 0.00 O ATOM 0 H SER A 69 -7.428 5.305 -0.577 1.00 0.00 H new ATOM 0 HA SER A 69 -4.596 5.497 0.267 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.878 6.001 2.536 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.619 7.273 1.358 1.00 0.00 H new ATOM 0 HG SER A 69 -7.821 7.180 2.080 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.782 3.583 2.011 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.747 2.280 2.665 1.00 0.00 C ATOM 1064 C VAL A 70 -5.818 2.179 3.746 1.00 0.00 C ATOM 1065 O VAL A 70 -6.050 3.128 4.495 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.369 2.006 3.296 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.293 1.942 2.223 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.037 3.068 4.333 1.00 0.00 C ATOM 0 H VAL A 70 -4.037 4.218 2.297 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.941 1.534 1.895 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.405 1.039 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.327 1.748 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.526 1.141 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.254 2.892 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.060 2.858 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.019 4.048 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.793 3.059 5.118 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.467 1.022 3.821 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.514 0.796 4.810 1.00 0.00 C ATOM 1080 C ARG A 71 -7.076 1.287 6.187 1.00 0.00 C ATOM 1081 O ARG A 71 -5.894 1.509 6.447 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.871 -0.690 4.876 1.00 0.00 C ATOM 1083 CG ARG A 71 -9.031 -1.078 3.975 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.688 -2.370 4.437 1.00 0.00 C ATOM 1085 NE ARG A 71 -8.714 -3.318 4.971 1.00 0.00 N ATOM 1086 CZ ARG A 71 -9.044 -4.489 5.505 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -10.317 -4.853 5.576 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -8.101 -5.297 5.970 1.00 0.00 N ATOM 0 H ARG A 71 -6.286 0.226 3.209 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.395 1.361 4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.995 -1.278 4.600 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.119 -0.950 5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.769 -0.276 3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.675 -1.196 2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.432 -2.145 5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.218 -2.827 3.601 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.726 -3.067 4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.045 -4.234 5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.568 -5.752 5.986 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.121 -5.020 5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.356 -6.196 6.380 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.052 1.462 7.091 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.792 1.928 8.456 1.00 0.00 C ATOM 1104 C PRO A 72 -7.066 0.884 9.297 1.00 0.00 C ATOM 1105 O PRO A 72 -6.840 1.081 10.490 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.193 2.185 9.016 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.087 1.293 8.225 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.484 1.217 6.850 1.00 0.00 C ATOM 0 HA PRO A 72 -7.144 2.805 8.471 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.243 1.953 10.080 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.478 3.231 8.904 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.151 0.304 8.678 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.101 1.692 8.185 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.653 0.243 6.390 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.912 1.964 6.182 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.700 -0.228 8.666 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.003 -1.287 9.372 1.00 0.00 C ATOM 1118 C GLY A 73 -4.607 -1.524 8.829 1.00 0.00 C ATOM 1119 O GLY A 73 -3.679 -1.807 9.587 1.00 0.00 O ATOM 0 H GLY A 73 -6.874 -0.414 7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.940 -1.034 10.430 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.580 -2.209 9.299 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.459 -1.410 7.513 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.167 -1.615 6.871 1.00 0.00 C ATOM 1125 C ILE A 74 -2.169 -0.539 7.286 1.00 0.00 C ATOM 1126 O ILE A 74 -2.314 0.630 6.926 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.295 -1.615 5.336 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.416 -2.559 4.896 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -1.976 -2.015 4.694 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.123 -4.016 5.176 1.00 0.00 C ATOM 0 H ILE A 74 -5.217 -1.177 6.872 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.804 -2.589 7.198 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.545 -0.606 5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.338 -2.278 5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.590 -2.430 3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.083 -2.010 3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.200 -1.307 4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.698 -3.015 5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.960 -4.627 4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.219 -4.314 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.978 -4.159 6.247 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.156 -0.941 8.045 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.131 -0.012 8.509 1.00 0.00 C ATOM 1144 C LEU A 75 1.064 -0.002 7.561 1.00 0.00 C ATOM 1145 O LEU A 75 1.790 -0.989 7.449 1.00 0.00 O ATOM 1146 CB LEU A 75 0.325 -0.388 9.919 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.718 -0.234 11.026 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.240 -0.900 12.307 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -1.025 1.236 11.269 1.00 0.00 C ATOM 0 H LEU A 75 -1.022 -1.904 8.353 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.564 0.988 8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.661 -1.425 9.906 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.190 0.224 10.175 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.635 -0.728 10.705 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.996 -0.780 13.083 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.073 -1.962 12.125 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.691 -0.437 12.632 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.769 1.326 12.060 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.113 1.754 11.568 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.413 1.683 10.353 1.00 0.00 H new ATOM 1161 N VAL A 76 1.263 1.123 6.881 1.00 0.00 N ATOM 1162 CA VAL A 76 2.372 1.264 5.945 1.00 0.00 C ATOM 1163 C VAL A 76 3.558 1.964 6.599 1.00 0.00 C ATOM 1164 O VAL A 76 3.406 2.657 7.606 1.00 0.00 O ATOM 1165 CB VAL A 76 1.952 2.054 4.691 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.677 1.475 4.097 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.772 3.527 5.025 1.00 0.00 C ATOM 0 H VAL A 76 0.671 1.950 6.961 1.00 0.00 H new ATOM 0 HA VAL A 76 2.666 0.257 5.649 1.00 0.00 H new ATOM 0 HB VAL A 76 2.744 1.967 3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.396 2.046 3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.845 0.434 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.125 1.529 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.475 4.070 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.000 3.636 5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.712 3.932 5.400 1.00 0.00 H new ATOM 1177 N LEU A 77 4.739 1.779 6.020 1.00 0.00 N ATOM 1178 CA LEU A 77 5.953 2.394 6.547 1.00 0.00 C ATOM 1179 C LEU A 77 6.944 2.689 5.425 1.00 0.00 C ATOM 1180 O LEU A 77 7.321 1.797 4.666 1.00 0.00 O ATOM 1181 CB LEU A 77 6.601 1.480 7.588 1.00 0.00 C ATOM 1182 CG LEU A 77 6.128 1.664 9.030 1.00 0.00 C ATOM 1183 CD1 LEU A 77 6.225 0.352 9.795 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.940 2.748 9.723 1.00 0.00 C ATOM 0 H LEU A 77 4.882 1.209 5.186 1.00 0.00 H new ATOM 0 HA LEU A 77 5.678 3.336 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.420 0.445 7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.679 1.636 7.558 1.00 0.00 H new ATOM 0 HG LEU A 77 5.083 1.975 9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.884 0.502 10.819 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.600 -0.398 9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.260 0.011 9.803 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.590 2.866 10.748 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.993 2.466 9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.820 3.690 9.188 1.00 0.00 H new ATOM 1196 N ILE A 78 7.363 3.947 5.329 1.00 0.00 N ATOM 1197 CA ILE A 78 8.313 4.359 4.303 1.00 0.00 C ATOM 1198 C ILE A 78 9.734 4.405 4.855 1.00 0.00 C ATOM 1199 O ILE A 78 10.037 5.191 5.751 1.00 0.00 O ATOM 1200 CB ILE A 78 7.954 5.740 3.725 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.544 5.718 3.131 1.00 0.00 C ATOM 1202 CG2 ILE A 78 8.971 6.155 2.673 1.00 0.00 C ATOM 1203 CD1 ILE A 78 5.904 7.086 3.042 1.00 0.00 C ATOM 0 H ILE A 78 7.060 4.698 5.949 1.00 0.00 H new ATOM 0 HA ILE A 78 8.259 3.616 3.507 1.00 0.00 H new ATOM 0 HB ILE A 78 7.976 6.472 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.585 5.280 2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.913 5.069 3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.703 7.133 2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.962 6.206 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.978 5.423 1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.907 6.994 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.830 7.519 4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.513 7.732 2.410 1.00 0.00 H new ATOM 1215 N ASN A 79 10.601 3.557 4.312 1.00 0.00 N ATOM 1216 CA ASN A 79 11.992 3.502 4.750 1.00 0.00 C ATOM 1217 C ASN A 79 12.080 3.429 6.271 1.00 0.00 C ATOM 1218 O ASN A 79 12.875 4.135 6.891 1.00 0.00 O ATOM 1219 CB ASN A 79 12.757 4.725 4.241 1.00 0.00 C ATOM 1220 CG ASN A 79 13.219 4.562 2.806 1.00 0.00 C ATOM 1221 OD1 ASN A 79 14.008 3.671 2.493 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.727 5.426 1.925 1.00 0.00 N ATOM 0 H ASN A 79 10.366 2.899 3.569 1.00 0.00 H new ATOM 0 HA ASN A 79 12.443 2.601 4.334 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.120 5.606 4.317 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.622 4.901 4.880 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.001 5.366 0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.075 6.149 2.229 1.00 0.00 H new ATOM 1229 N ASP A 80 11.260 2.569 6.865 1.00 0.00 N ATOM 1230 CA ASP A 80 11.247 2.402 8.314 1.00 0.00 C ATOM 1231 C ASP A 80 10.823 3.693 9.006 1.00 0.00 C ATOM 1232 O ASP A 80 11.461 4.135 9.962 1.00 0.00 O ATOM 1233 CB ASP A 80 12.627 1.971 8.812 1.00 0.00 C ATOM 1234 CG ASP A 80 13.062 0.639 8.233 1.00 0.00 C ATOM 1235 OD1 ASP A 80 13.491 0.613 7.060 1.00 0.00 O ATOM 1236 OD2 ASP A 80 12.973 -0.378 8.952 1.00 0.00 O ATOM 0 H ASP A 80 10.596 1.977 6.366 1.00 0.00 H new ATOM 0 HA ASP A 80 10.523 1.625 8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.359 2.734 8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.613 1.904 9.900 1.00 0.00 H new ATOM 1241 N ALA A 81 9.744 4.295 8.517 1.00 0.00 N ATOM 1242 CA ALA A 81 9.235 5.535 9.089 1.00 0.00 C ATOM 1243 C ALA A 81 7.751 5.711 8.785 1.00 0.00 C ATOM 1244 O ALA A 81 7.335 5.667 7.627 1.00 0.00 O ATOM 1245 CB ALA A 81 10.028 6.723 8.563 1.00 0.00 C ATOM 0 H ALA A 81 9.205 3.944 7.725 1.00 0.00 H new ATOM 0 HA ALA A 81 9.354 5.483 10.171 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.637 7.643 8.998 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.077 6.610 8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.938 6.769 7.478 1.00 0.00 H new ATOM 1251 N ASP A 82 6.958 5.910 9.832 1.00 0.00 N ATOM 1252 CA ASP A 82 5.519 6.093 9.677 1.00 0.00 C ATOM 1253 C ASP A 82 5.213 7.045 8.525 1.00 0.00 C ATOM 1254 O ASP A 82 5.720 8.166 8.483 1.00 0.00 O ATOM 1255 CB ASP A 82 4.909 6.628 10.974 1.00 0.00 C ATOM 1256 CG ASP A 82 5.517 5.988 12.207 1.00 0.00 C ATOM 1257 OD1 ASP A 82 5.309 4.774 12.408 1.00 0.00 O ATOM 1258 OD2 ASP A 82 6.199 6.703 12.971 1.00 0.00 O ATOM 0 H ASP A 82 7.287 5.949 10.797 1.00 0.00 H new ATOM 0 HA ASP A 82 5.076 5.123 9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.052 7.708 11.021 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.834 6.448 10.968 1.00 0.00 H new ATOM 1263 N TRP A 83 4.384 6.590 7.593 1.00 0.00 N ATOM 1264 CA TRP A 83 4.012 7.401 6.440 1.00 0.00 C ATOM 1265 C TRP A 83 3.165 8.596 6.865 1.00 0.00 C ATOM 1266 O TRP A 83 3.098 9.602 6.160 1.00 0.00 O ATOM 1267 CB TRP A 83 3.246 6.555 5.421 1.00 0.00 C ATOM 1268 CG TRP A 83 1.854 6.214 5.859 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.460 5.822 7.106 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.673 6.232 5.050 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.105 5.595 7.121 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.401 5.841 5.872 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.418 6.543 3.711 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.707 5.752 5.398 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.879 6.453 3.242 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.928 6.061 4.084 1.00 0.00 C ATOM 0 H TRP A 83 3.957 5.664 7.613 1.00 0.00 H new ATOM 0 HA TRP A 83 4.927 7.773 5.979 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.200 7.093 4.474 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.797 5.633 5.237 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.117 5.707 7.956 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.436 5.292 7.931 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.220 6.848 3.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.517 5.450 6.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -1.087 6.689 2.209 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.931 6.002 3.688 1.00 0.00 H new ATOM 1287 N GLU A 84 2.522 8.478 8.022 1.00 0.00 N ATOM 1288 CA GLU A 84 1.679 9.550 8.540 1.00 0.00 C ATOM 1289 C GLU A 84 2.526 10.729 9.010 1.00 0.00 C ATOM 1290 O GLU A 84 2.115 11.885 8.904 1.00 0.00 O ATOM 1291 CB GLU A 84 0.814 9.037 9.693 1.00 0.00 C ATOM 1292 CG GLU A 84 0.044 7.770 9.360 1.00 0.00 C ATOM 1293 CD GLU A 84 -1.053 7.473 10.364 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -1.592 8.431 10.955 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -1.371 6.281 10.558 1.00 0.00 O ATOM 0 H GLU A 84 2.568 7.652 8.618 1.00 0.00 H new ATOM 0 HA GLU A 84 1.030 9.890 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.451 8.848 10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.108 9.816 9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.394 7.866 8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.735 6.928 9.323 1.00 0.00 H new ATOM 1302 N LEU A 85 3.711 10.428 9.530 1.00 0.00 N ATOM 1303 CA LEU A 85 4.617 11.462 10.018 1.00 0.00 C ATOM 1304 C LEU A 85 5.136 12.318 8.867 1.00 0.00 C ATOM 1305 O LEU A 85 5.274 13.535 8.997 1.00 0.00 O ATOM 1306 CB LEU A 85 5.791 10.828 10.767 1.00 0.00 C ATOM 1307 CG LEU A 85 5.598 10.627 12.270 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.374 9.766 12.541 1.00 0.00 C ATOM 1309 CD2 LEU A 85 6.840 10.002 12.888 1.00 0.00 C ATOM 0 H LEU A 85 4.067 9.477 9.625 1.00 0.00 H new ATOM 0 HA LEU A 85 4.062 12.103 10.702 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.003 9.859 10.315 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.672 11.451 10.614 1.00 0.00 H new ATOM 0 HG LEU A 85 5.439 11.602 12.730 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.253 9.634 13.616 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.489 10.254 12.133 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.502 8.792 12.068 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.685 9.866 13.958 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.030 9.035 12.423 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.696 10.657 12.726 1.00 0.00 H new ATOM 1321 N LEU A 86 5.421 11.675 7.740 1.00 0.00 N ATOM 1322 CA LEU A 86 5.923 12.377 6.564 1.00 0.00 C ATOM 1323 C LEU A 86 4.773 12.910 5.716 1.00 0.00 C ATOM 1324 O LEU A 86 4.590 14.120 5.588 1.00 0.00 O ATOM 1325 CB LEU A 86 6.802 11.447 5.727 1.00 0.00 C ATOM 1326 CG LEU A 86 7.639 10.432 6.506 1.00 0.00 C ATOM 1327 CD1 LEU A 86 7.854 9.172 5.682 1.00 0.00 C ATOM 1328 CD2 LEU A 86 8.974 11.041 6.911 1.00 0.00 C ATOM 0 H LEU A 86 5.313 10.668 7.616 1.00 0.00 H new ATOM 0 HA LEU A 86 6.521 13.223 6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.162 10.903 5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.476 12.059 5.127 1.00 0.00 H new ATOM 0 HG LEU A 86 7.096 10.161 7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.452 8.461 6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.889 8.725 5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.375 9.425 4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.557 10.305 7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.523 11.341 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.800 11.914 7.541 1.00 0.00 H new ATOM 1340 N GLY A 87 3.998 11.996 5.138 1.00 0.00 N ATOM 1341 CA GLY A 87 2.874 12.393 4.311 1.00 0.00 C ATOM 1342 C GLY A 87 2.103 11.205 3.771 1.00 0.00 C ATOM 1343 O GLY A 87 2.433 10.673 2.712 1.00 0.00 O ATOM 0 H GLY A 87 4.129 10.988 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.203 13.023 4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.235 12.997 3.478 1.00 0.00 H new ATOM 1347 N GLU A 88 1.074 10.787 4.503 1.00 0.00 N ATOM 1348 CA GLU A 88 0.257 9.652 4.091 1.00 0.00 C ATOM 1349 C GLU A 88 0.125 9.598 2.572 1.00 0.00 C ATOM 1350 O GLU A 88 0.459 8.593 1.943 1.00 0.00 O ATOM 1351 CB GLU A 88 -1.131 9.735 4.731 1.00 0.00 C ATOM 1352 CG GLU A 88 -1.111 9.609 6.245 1.00 0.00 C ATOM 1353 CD GLU A 88 -2.465 9.239 6.818 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -3.164 8.409 6.198 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -2.827 9.779 7.884 1.00 0.00 O ATOM 0 H GLU A 88 0.787 11.217 5.382 1.00 0.00 H new ATOM 0 HA GLU A 88 0.752 8.741 4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.591 10.685 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.760 8.947 4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.380 8.854 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.782 10.553 6.680 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.363 10.687 1.988 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.540 10.765 0.542 1.00 0.00 C ATOM 1364 C LEU A 89 0.274 11.914 -0.045 1.00 0.00 C ATOM 1365 O LEU A 89 0.705 11.858 -1.197 1.00 0.00 O ATOM 1366 CB LEU A 89 -2.020 10.945 0.198 1.00 0.00 C ATOM 1367 CG LEU A 89 -2.974 9.895 0.768 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.420 10.300 0.525 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.691 8.530 0.159 1.00 0.00 C ATOM 0 H LEU A 89 -0.643 11.528 2.493 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.183 9.832 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.338 11.926 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.122 10.949 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.812 9.831 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.085 9.541 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.616 11.256 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.597 10.393 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.380 7.795 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.824 8.579 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.666 8.236 0.385 1.00 0.00 H new ATOM 1381 N ASP A 90 0.481 12.954 0.755 1.00 0.00 N ATOM 1382 CA ASP A 90 1.246 14.116 0.317 1.00 0.00 C ATOM 1383 C ASP A 90 2.718 13.759 0.133 1.00 0.00 C ATOM 1384 O ASP A 90 3.477 14.511 -0.479 1.00 0.00 O ATOM 1385 CB ASP A 90 1.107 15.255 1.327 1.00 0.00 C ATOM 1386 CG ASP A 90 -0.253 15.922 1.264 1.00 0.00 C ATOM 1387 OD1 ASP A 90 -0.436 16.820 0.415 1.00 0.00 O ATOM 1388 OD2 ASP A 90 -1.135 15.546 2.064 1.00 0.00 O ATOM 0 H ASP A 90 0.130 13.016 1.711 1.00 0.00 H new ATOM 0 HA ASP A 90 0.847 14.442 -0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.272 14.867 2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.882 15.998 1.141 1.00 0.00 H new ATOM 1393 N TYR A 91 3.113 12.609 0.667 1.00 0.00 N ATOM 1394 CA TYR A 91 4.495 12.154 0.564 1.00 0.00 C ATOM 1395 C TYR A 91 4.770 11.551 -0.810 1.00 0.00 C ATOM 1396 O TYR A 91 4.019 10.701 -1.287 1.00 0.00 O ATOM 1397 CB TYR A 91 4.797 11.125 1.655 1.00 0.00 C ATOM 1398 CG TYR A 91 6.260 10.753 1.747 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.135 11.484 2.542 1.00 0.00 C ATOM 1400 CD2 TYR A 91 6.767 9.669 1.041 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.472 11.148 2.628 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.102 9.324 1.123 1.00 0.00 C ATOM 1403 CZ TYR A 91 8.950 10.067 1.917 1.00 0.00 C ATOM 1404 OH TYR A 91 10.281 9.728 2.002 1.00 0.00 O ATOM 0 H TYR A 91 2.497 11.975 1.175 1.00 0.00 H new ATOM 0 HA TYR A 91 5.146 13.018 0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.470 11.521 2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.213 10.225 1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.763 12.329 3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.106 9.086 0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.139 11.728 3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.479 8.477 0.569 1.00 0.00 H new ATOM 0 HH TYR A 91 10.455 8.943 1.442 1.00 0.00 H new ATOM 1414 N GLN A 92 5.852 11.998 -1.439 1.00 0.00 N ATOM 1415 CA GLN A 92 6.227 11.504 -2.758 1.00 0.00 C ATOM 1416 C GLN A 92 7.369 10.498 -2.658 1.00 0.00 C ATOM 1417 O GLN A 92 8.449 10.817 -2.158 1.00 0.00 O ATOM 1418 CB GLN A 92 6.632 12.666 -3.666 1.00 0.00 C ATOM 1419 CG GLN A 92 5.554 13.727 -3.814 1.00 0.00 C ATOM 1420 CD GLN A 92 5.509 14.681 -2.637 1.00 0.00 C ATOM 1421 OE1 GLN A 92 6.259 14.531 -1.672 1.00 0.00 O ATOM 1422 NE2 GLN A 92 4.626 15.671 -2.711 1.00 0.00 N ATOM 0 H GLN A 92 6.484 12.701 -1.056 1.00 0.00 H new ATOM 0 HA GLN A 92 5.361 11.001 -3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.534 13.130 -3.268 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.883 12.275 -4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.730 14.293 -4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.584 13.242 -3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.024 15.757 -3.530 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.550 16.345 -1.949 1.00 0.00 H new ATOM 1431 N LEU A 93 7.125 9.283 -3.137 1.00 0.00 N ATOM 1432 CA LEU A 93 8.134 8.230 -3.101 1.00 0.00 C ATOM 1433 C LEU A 93 9.293 8.555 -4.037 1.00 0.00 C ATOM 1434 O LEU A 93 9.087 8.879 -5.206 1.00 0.00 O ATOM 1435 CB LEU A 93 7.511 6.887 -3.488 1.00 0.00 C ATOM 1436 CG LEU A 93 6.636 6.222 -2.425 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.470 4.740 -2.722 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.231 6.427 -1.040 1.00 0.00 C ATOM 0 H LEU A 93 6.238 9.003 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 93 8.520 8.165 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.910 7.033 -4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.314 6.199 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 93 5.651 6.689 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.844 4.283 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.999 4.615 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.448 4.258 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.595 5.947 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.228 5.987 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.297 7.494 -0.827 1.00 0.00 H new ATOM 1450 N GLN A 94 10.512 8.462 -3.515 1.00 0.00 N ATOM 1451 CA GLN A 94 11.704 8.745 -4.306 1.00 0.00 C ATOM 1452 C GLN A 94 12.157 7.506 -5.070 1.00 0.00 C ATOM 1453 O GLN A 94 11.488 6.473 -5.050 1.00 0.00 O ATOM 1454 CB GLN A 94 12.834 9.243 -3.403 1.00 0.00 C ATOM 1455 CG GLN A 94 12.611 10.647 -2.866 1.00 0.00 C ATOM 1456 CD GLN A 94 13.005 11.722 -3.861 1.00 0.00 C ATOM 1457 OE1 GLN A 94 13.033 11.485 -5.069 1.00 0.00 O ATOM 1458 NE2 GLN A 94 13.312 12.911 -3.357 1.00 0.00 N ATOM 0 H GLN A 94 10.700 8.193 -2.549 1.00 0.00 H new ATOM 0 HA GLN A 94 11.455 9.523 -5.027 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.947 8.556 -2.564 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.770 9.221 -3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.560 10.769 -2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.186 10.777 -1.949 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.275 13.063 -2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.585 13.673 -3.978 1.00 0.00 H new ATOM 1467 N ASP A 95 13.296 7.616 -5.745 1.00 0.00 N ATOM 1468 CA ASP A 95 13.839 6.503 -6.516 1.00 0.00 C ATOM 1469 C ASP A 95 14.665 5.578 -5.628 1.00 0.00 C ATOM 1470 O ASP A 95 15.450 6.038 -4.798 1.00 0.00 O ATOM 1471 CB ASP A 95 14.698 7.025 -7.669 1.00 0.00 C ATOM 1472 CG ASP A 95 15.575 8.191 -7.256 1.00 0.00 C ATOM 1473 OD1 ASP A 95 16.673 7.945 -6.715 1.00 0.00 O ATOM 1474 OD2 ASP A 95 15.163 9.349 -7.474 1.00 0.00 O ATOM 0 H ASP A 95 13.861 8.465 -5.774 1.00 0.00 H new ATOM 0 HA ASP A 95 13.004 5.934 -6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.326 6.217 -8.045 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.051 7.334 -8.490 1.00 0.00 H new ATOM 1479 N GLN A 96 14.482 4.274 -5.808 1.00 0.00 N ATOM 1480 CA GLN A 96 15.209 3.285 -5.021 1.00 0.00 C ATOM 1481 C GLN A 96 14.826 3.373 -3.548 1.00 0.00 C ATOM 1482 O GLN A 96 15.690 3.393 -2.671 1.00 0.00 O ATOM 1483 CB GLN A 96 16.718 3.485 -5.181 1.00 0.00 C ATOM 1484 CG GLN A 96 17.200 3.359 -6.617 1.00 0.00 C ATOM 1485 CD GLN A 96 17.443 1.919 -7.026 1.00 0.00 C ATOM 1486 OE1 GLN A 96 18.194 1.195 -6.372 1.00 0.00 O ATOM 1487 NE2 GLN A 96 16.809 1.497 -8.114 1.00 0.00 N ATOM 0 H GLN A 96 13.837 3.878 -6.492 1.00 0.00 H new ATOM 0 HA GLN A 96 14.939 2.295 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 96 16.988 4.471 -4.801 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.240 2.752 -4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.461 3.803 -7.285 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.122 3.928 -6.738 1.00 0.00 H new ATOM 0 HE21 GLN A 96 16.196 2.132 -8.625 1.00 0.00 H new ATOM 0 HE22 GLN A 96 16.935 0.538 -8.438 1.00 0.00 H new ATOM 1496 N ASP A 97 13.525 3.424 -3.282 1.00 0.00 N ATOM 1497 CA ASP A 97 13.027 3.509 -1.914 1.00 0.00 C ATOM 1498 C ASP A 97 12.439 2.174 -1.467 1.00 0.00 C ATOM 1499 O ASP A 97 12.136 1.311 -2.290 1.00 0.00 O ATOM 1500 CB ASP A 97 11.971 4.609 -1.801 1.00 0.00 C ATOM 1501 CG ASP A 97 10.644 4.203 -2.410 1.00 0.00 C ATOM 1502 OD1 ASP A 97 10.164 3.092 -2.101 1.00 0.00 O ATOM 1503 OD2 ASP A 97 10.085 4.996 -3.196 1.00 0.00 O ATOM 0 H ASP A 97 12.796 3.408 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 97 13.866 3.753 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.824 4.860 -0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.334 5.509 -2.296 1.00 0.00 H new ATOM 1508 N SER A 98 12.283 2.012 -0.157 1.00 0.00 N ATOM 1509 CA SER A 98 11.736 0.781 0.401 1.00 0.00 C ATOM 1510 C SER A 98 10.430 1.052 1.140 1.00 0.00 C ATOM 1511 O SER A 98 10.368 1.914 2.018 1.00 0.00 O ATOM 1512 CB SER A 98 12.747 0.133 1.350 1.00 0.00 C ATOM 1513 OG SER A 98 12.160 -0.941 2.065 1.00 0.00 O ATOM 0 H SER A 98 12.528 2.718 0.538 1.00 0.00 H new ATOM 0 HA SER A 98 11.531 0.098 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.603 -0.230 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 98 13.122 0.879 2.051 1.00 0.00 H new ATOM 0 HG SER A 98 12.827 -1.339 2.663 1.00 0.00 H new ATOM 1519 N ILE A 99 9.388 0.311 0.779 1.00 0.00 N ATOM 1520 CA ILE A 99 8.083 0.470 1.408 1.00 0.00 C ATOM 1521 C ILE A 99 7.624 -0.829 2.060 1.00 0.00 C ATOM 1522 O ILE A 99 7.841 -1.917 1.523 1.00 0.00 O ATOM 1523 CB ILE A 99 7.019 0.924 0.390 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.616 1.938 -0.587 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.817 1.517 1.109 1.00 0.00 C ATOM 1526 CD1 ILE A 99 8.075 3.218 0.076 1.00 0.00 C ATOM 0 H ILE A 99 9.422 -0.406 0.054 1.00 0.00 H new ATOM 0 HA ILE A 99 8.194 1.238 2.173 1.00 0.00 H new ATOM 0 HB ILE A 99 6.686 0.055 -0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.462 1.481 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.873 2.178 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.074 1.833 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.380 0.766 1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.134 2.377 1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.487 3.890 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.228 3.698 0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.841 2.990 0.817 1.00 0.00 H new ATOM 1538 N LEU A 100 6.989 -0.710 3.221 1.00 0.00 N ATOM 1539 CA LEU A 100 6.497 -1.876 3.947 1.00 0.00 C ATOM 1540 C LEU A 100 5.021 -1.717 4.296 1.00 0.00 C ATOM 1541 O LEU A 100 4.570 -0.628 4.653 1.00 0.00 O ATOM 1542 CB LEU A 100 7.314 -2.088 5.223 1.00 0.00 C ATOM 1543 CG LEU A 100 6.749 -3.099 6.221 1.00 0.00 C ATOM 1544 CD1 LEU A 100 7.185 -4.510 5.858 1.00 0.00 C ATOM 1545 CD2 LEU A 100 7.187 -2.752 7.637 1.00 0.00 C ATOM 0 H LEU A 100 6.803 0.182 3.680 1.00 0.00 H new ATOM 0 HA LEU A 100 6.607 -2.748 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.316 -2.409 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.417 -1.128 5.728 1.00 0.00 H new ATOM 0 HG LEU A 100 5.661 -3.055 6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.773 -5.215 6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.822 -4.758 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.273 -4.570 5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.776 -3.482 8.334 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.275 -2.768 7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.824 -1.758 7.897 1.00 0.00 H new ATOM 1557 N PHE A 101 4.273 -2.811 4.193 1.00 0.00 N ATOM 1558 CA PHE A 101 2.847 -2.793 4.499 1.00 0.00 C ATOM 1559 C PHE A 101 2.490 -3.898 5.490 1.00 0.00 C ATOM 1560 O PHE A 101 2.882 -5.052 5.317 1.00 0.00 O ATOM 1561 CB PHE A 101 2.027 -2.958 3.218 1.00 0.00 C ATOM 1562 CG PHE A 101 2.258 -1.865 2.214 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.366 -1.893 1.382 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.368 -0.809 2.102 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.582 -0.888 0.458 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.578 0.198 1.179 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.686 0.158 0.356 1.00 0.00 C ATOM 0 H PHE A 101 4.630 -3.720 3.900 1.00 0.00 H new ATOM 0 HA PHE A 101 2.610 -1.831 4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.270 -3.917 2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.968 -2.987 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.069 -2.710 1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.500 -0.772 2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.450 -0.921 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.876 1.015 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.852 0.944 -0.366 1.00 0.00 H new ATOM 1577 N ILE A 102 1.745 -3.534 6.528 1.00 0.00 N ATOM 1578 CA ILE A 102 1.334 -4.493 7.546 1.00 0.00 C ATOM 1579 C ILE A 102 -0.183 -4.640 7.584 1.00 0.00 C ATOM 1580 O ILE A 102 -0.912 -3.648 7.600 1.00 0.00 O ATOM 1581 CB ILE A 102 1.834 -4.080 8.943 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.360 -3.969 8.951 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.365 -5.079 9.990 1.00 0.00 C ATOM 1584 CD1 ILE A 102 4.063 -5.287 8.710 1.00 0.00 C ATOM 0 H ILE A 102 1.414 -2.582 6.686 1.00 0.00 H new ATOM 0 HA ILE A 102 1.782 -5.450 7.277 1.00 0.00 H new ATOM 0 HB ILE A 102 1.416 -3.103 9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.668 -3.257 8.186 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.682 -3.565 9.911 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.726 -4.774 10.972 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.276 -5.113 9.998 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.757 -6.068 9.751 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.142 -5.133 8.729 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.784 -5.996 9.489 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.770 -5.683 7.738 1.00 0.00 H new ATOM 1596 N SER A 103 -0.652 -5.883 7.600 1.00 0.00 N ATOM 1597 CA SER A 103 -2.083 -6.160 7.634 1.00 0.00 C ATOM 1598 C SER A 103 -2.469 -6.870 8.929 1.00 0.00 C ATOM 1599 O SER A 103 -2.139 -8.039 9.132 1.00 0.00 O ATOM 1600 CB SER A 103 -2.488 -7.014 6.431 1.00 0.00 C ATOM 1601 OG SER A 103 -3.892 -7.202 6.388 1.00 0.00 O ATOM 0 H SER A 103 -0.062 -6.715 7.590 1.00 0.00 H new ATOM 0 HA SER A 103 -2.613 -5.208 7.590 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.154 -6.534 5.511 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.990 -7.982 6.484 1.00 0.00 H new ATOM 0 HG SER A 103 -4.125 -7.750 5.609 1.00 0.00 H new ATOM 1607 N THR A 104 -3.170 -6.154 9.803 1.00 0.00 N ATOM 1608 CA THR A 104 -3.599 -6.713 11.078 1.00 0.00 C ATOM 1609 C THR A 104 -5.111 -6.904 11.113 1.00 0.00 C ATOM 1610 O THR A 104 -5.609 -7.917 11.607 1.00 0.00 O ATOM 1611 CB THR A 104 -3.179 -5.814 12.256 1.00 0.00 C ATOM 1612 OG1 THR A 104 -3.568 -6.416 13.495 1.00 0.00 O ATOM 1613 CG2 THR A 104 -3.811 -4.435 12.136 1.00 0.00 C ATOM 0 H THR A 104 -3.452 -5.186 9.650 1.00 0.00 H new ATOM 0 HA THR A 104 -3.110 -7.682 11.179 1.00 0.00 H new ATOM 0 HB THR A 104 -2.095 -5.703 12.231 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.296 -5.839 14.239 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.500 -3.818 12.979 1.00 0.00 H new ATOM 0 HG22 THR A 104 -3.490 -3.967 11.205 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.897 -4.531 12.138 1.00 0.00 H new