USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 676 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 16 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.3 F(o=-1.1,f=-0.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.37) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 20:sc= 1.01 USER MOD Single : A 57 SER OG : rot -104:sc= 0.945 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.547 X(o=-0.55,f=-0.38) USER MOD Single : A 62 ASN :FLIP amide:sc= -2.24 F(o=-4.6!,f=-2.2) USER MOD Single : A 64 HIS : no HD1:sc= -0.0338 X(o=-0.034,f=-0.0056) USER MOD Single : A 66 GLN :FLIP amide:sc= -5.05! C(o=-5.8!,f=-5!) USER MOD Single : A 68 ASN : amide:sc= -3.27! C(o=-3.3!,f=-3.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -1.01 X(o=-1,f=-1.3) USER MOD Single : A 80 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.9!) USER MOD Single : A 84 ASN : amide:sc= -0.0783 X(o=-0.078,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.324 K(o=-0.32,f=-1.1) USER MOD Single : A 93 ASN : amide:sc= 1.18 K(o=1.2,f=-0.04) USER MOD Single : A 96 GLN : amide:sc= 0.558 K(o=0.56,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -2.49! C(o=-2.5!,f=-3.1!) USER MOD Single : A 101 THR OG1 : rot 81:sc= -0.0022 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 13 -8.720 -1.864 -14.803 1.00 0.00 N ATOM 119 CA LEU A 13 -9.305 -1.201 -13.642 1.00 0.00 C ATOM 120 C LEU A 13 -8.337 -0.181 -13.052 1.00 0.00 C ATOM 121 O LEU A 13 -8.738 0.913 -12.655 1.00 0.00 O ATOM 122 CB LEU A 13 -9.686 -2.234 -12.579 1.00 0.00 C ATOM 123 CG LEU A 13 -10.983 -3.005 -12.827 1.00 0.00 C ATOM 124 CD1 LEU A 13 -12.104 -2.053 -13.216 1.00 0.00 C ATOM 125 CD2 LEU A 13 -10.779 -4.060 -13.904 1.00 0.00 C ATOM 0 HA LEU A 13 -10.203 -0.676 -13.968 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.871 -2.952 -12.491 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.768 -1.725 -11.619 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.266 -3.509 -11.903 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.019 -2.620 -13.389 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.268 -1.336 -12.412 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.830 -1.521 -14.127 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.712 -4.599 -14.067 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.471 -3.578 -14.832 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.007 -4.760 -13.586 1.00 0.00 H new ATOM 137 N PHE A 14 -7.060 -0.546 -13.001 1.00 0.00 N ATOM 138 CA PHE A 14 -6.034 0.338 -12.461 1.00 0.00 C ATOM 139 C PHE A 14 -5.193 0.944 -13.581 1.00 0.00 C ATOM 140 O PHE A 14 -5.341 0.580 -14.747 1.00 0.00 O ATOM 141 CB PHE A 14 -5.133 -0.425 -11.488 1.00 0.00 C ATOM 142 CG PHE A 14 -5.884 -1.366 -10.589 1.00 0.00 C ATOM 143 CD1 PHE A 14 -6.379 -2.565 -11.078 1.00 0.00 C ATOM 144 CD2 PHE A 14 -6.094 -1.053 -9.256 1.00 0.00 C ATOM 145 CE1 PHE A 14 -7.070 -3.432 -10.253 1.00 0.00 C ATOM 146 CE2 PHE A 14 -6.784 -1.916 -8.426 1.00 0.00 C ATOM 147 CZ PHE A 14 -7.272 -3.108 -8.926 1.00 0.00 C ATOM 0 H PHE A 14 -6.711 -1.447 -13.327 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.532 1.147 -11.926 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.394 -0.990 -12.056 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.585 0.291 -10.875 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.223 -2.824 -12.115 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.714 -0.123 -8.860 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.452 -4.363 -10.646 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.941 -1.659 -7.389 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.811 -3.785 -8.280 1.00 0.00 H new ATOM 157 N GLU A 15 -4.311 1.869 -13.217 1.00 0.00 N ATOM 158 CA GLU A 15 -3.447 2.526 -14.192 1.00 0.00 C ATOM 159 C GLU A 15 -2.015 2.620 -13.673 1.00 0.00 C ATOM 160 O GLU A 15 -1.765 3.171 -12.601 1.00 0.00 O ATOM 161 CB GLU A 15 -3.977 3.924 -14.515 1.00 0.00 C ATOM 162 CG GLU A 15 -4.021 4.851 -13.312 1.00 0.00 C ATOM 163 CD GLU A 15 -2.733 5.628 -13.126 1.00 0.00 C ATOM 164 OE1 GLU A 15 -2.084 5.953 -14.143 1.00 0.00 O ATOM 165 OE2 GLU A 15 -2.372 5.912 -11.965 1.00 0.00 O ATOM 0 H GLU A 15 -4.176 2.181 -12.255 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.447 1.926 -15.102 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.350 4.372 -15.286 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.980 3.836 -14.932 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.849 5.550 -13.427 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.221 4.266 -12.414 1.00 0.00 H new ATOM 172 N THR A 16 -1.076 2.077 -14.443 1.00 0.00 N ATOM 173 CA THR A 16 0.330 2.097 -14.062 1.00 0.00 C ATOM 174 C THR A 16 1.003 3.389 -14.512 1.00 0.00 C ATOM 175 O THR A 16 0.694 3.923 -15.578 1.00 0.00 O ATOM 176 CB THR A 16 1.092 0.900 -14.662 1.00 0.00 C ATOM 177 OG1 THR A 16 0.398 -0.318 -14.369 1.00 0.00 O ATOM 178 CG2 THR A 16 2.508 0.828 -14.110 1.00 0.00 C ATOM 0 H THR A 16 -1.265 1.618 -15.334 1.00 0.00 H new ATOM 0 HA THR A 16 0.363 2.032 -12.974 1.00 0.00 H new ATOM 0 HB THR A 16 1.147 1.036 -15.742 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.887 -1.074 -14.755 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.026 -0.025 -14.548 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.043 1.745 -14.359 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.471 0.713 -13.027 1.00 0.00 H new ATOM 186 N TYR A 17 1.924 3.887 -13.694 1.00 0.00 N ATOM 187 CA TYR A 17 2.639 5.118 -14.008 1.00 0.00 C ATOM 188 C TYR A 17 4.021 5.125 -13.361 1.00 0.00 C ATOM 189 O TYR A 17 4.210 4.589 -12.270 1.00 0.00 O ATOM 190 CB TYR A 17 1.837 6.333 -13.537 1.00 0.00 C ATOM 191 CG TYR A 17 1.511 6.308 -12.061 1.00 0.00 C ATOM 192 CD1 TYR A 17 0.356 5.691 -11.595 1.00 0.00 C ATOM 193 CD2 TYR A 17 2.356 6.902 -11.132 1.00 0.00 C ATOM 194 CE1 TYR A 17 0.054 5.666 -10.247 1.00 0.00 C ATOM 195 CE2 TYR A 17 2.062 6.881 -9.783 1.00 0.00 C ATOM 196 CZ TYR A 17 0.910 6.262 -9.345 1.00 0.00 C ATOM 197 OH TYR A 17 0.613 6.240 -8.002 1.00 0.00 O ATOM 0 H TYR A 17 2.193 3.457 -12.809 1.00 0.00 H new ATOM 0 HA TYR A 17 2.763 5.170 -15.090 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.401 7.239 -13.761 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.908 6.387 -14.105 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.317 5.223 -12.299 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.259 7.389 -11.471 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.848 5.182 -9.902 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.731 7.347 -9.074 1.00 0.00 H new ATOM 0 HH TYR A 17 1.318 6.703 -7.503 1.00 0.00 H new ATOM 207 N ASN A 18 4.983 5.737 -14.043 1.00 0.00 N ATOM 208 CA ASN A 18 6.348 5.815 -13.535 1.00 0.00 C ATOM 209 C ASN A 18 6.568 7.111 -12.760 1.00 0.00 C ATOM 210 O ASN A 18 6.210 8.194 -13.226 1.00 0.00 O ATOM 211 CB ASN A 18 7.349 5.722 -14.689 1.00 0.00 C ATOM 212 CG ASN A 18 6.797 6.292 -15.981 1.00 0.00 C ATOM 213 OD1 ASN A 18 5.968 5.512 -16.665 1.00 0.00 O flip ATOM 214 ND2 ASN A 18 7.111 7.421 -16.360 1.00 0.00 N flip ATOM 0 H ASN A 18 4.843 6.186 -14.948 1.00 0.00 H new ATOM 0 HA ASN A 18 6.505 4.976 -12.857 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.260 6.256 -14.420 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.625 4.679 -14.844 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.752 7.986 -15.803 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.730 7.791 -17.231 1.00 0.00 H new ATOM 221 N VAL A 19 7.158 6.993 -11.575 1.00 0.00 N ATOM 222 CA VAL A 19 7.427 8.154 -10.736 1.00 0.00 C ATOM 223 C VAL A 19 8.926 8.401 -10.603 1.00 0.00 C ATOM 224 O VAL A 19 9.634 7.638 -9.947 1.00 0.00 O ATOM 225 CB VAL A 19 6.819 7.984 -9.331 1.00 0.00 C ATOM 226 CG1 VAL A 19 6.612 9.339 -8.671 1.00 0.00 C ATOM 227 CG2 VAL A 19 5.510 7.213 -9.407 1.00 0.00 C ATOM 0 H VAL A 19 7.459 6.105 -11.174 1.00 0.00 H new ATOM 0 HA VAL A 19 6.963 9.011 -11.224 1.00 0.00 H new ATOM 0 HB VAL A 19 7.516 7.412 -8.719 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.182 9.199 -7.679 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.570 9.850 -8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.935 9.940 -9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.094 7.102 -8.405 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.804 7.756 -10.035 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.693 6.227 -9.835 1.00 0.00 H new ATOM 237 N GLU A 20 9.401 9.473 -11.229 1.00 0.00 N ATOM 238 CA GLU A 20 10.817 9.820 -11.180 1.00 0.00 C ATOM 239 C GLU A 20 11.139 10.616 -9.919 1.00 0.00 C ATOM 240 O GLU A 20 10.772 11.786 -9.799 1.00 0.00 O ATOM 241 CB GLU A 20 11.210 10.626 -12.420 1.00 0.00 C ATOM 242 CG GLU A 20 12.711 10.798 -12.583 1.00 0.00 C ATOM 243 CD GLU A 20 13.071 11.999 -13.436 1.00 0.00 C ATOM 244 OE1 GLU A 20 12.608 12.065 -14.594 1.00 0.00 O ATOM 245 OE2 GLU A 20 13.817 12.872 -12.945 1.00 0.00 O ATOM 0 H GLU A 20 8.827 10.116 -11.775 1.00 0.00 H new ATOM 0 HA GLU A 20 11.391 8.894 -11.160 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.811 10.132 -13.306 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.744 11.610 -12.367 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.170 10.905 -11.600 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.129 9.898 -13.034 1.00 0.00 H new ATOM 252 N LEU A 21 11.826 9.975 -8.981 1.00 0.00 N ATOM 253 CA LEU A 21 12.198 10.622 -7.727 1.00 0.00 C ATOM 254 C LEU A 21 13.632 11.138 -7.785 1.00 0.00 C ATOM 255 O LEU A 21 14.505 10.510 -8.385 1.00 0.00 O ATOM 256 CB LEU A 21 12.042 9.645 -6.560 1.00 0.00 C ATOM 257 CG LEU A 21 10.677 8.969 -6.428 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.725 7.869 -5.380 1.00 0.00 C ATOM 259 CD2 LEU A 21 9.606 9.993 -6.080 1.00 0.00 C ATOM 0 H LEU A 21 12.137 9.007 -9.064 1.00 0.00 H new ATOM 0 HA LEU A 21 11.532 11.471 -7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.801 8.869 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.251 10.180 -5.634 1.00 0.00 H new ATOM 0 HG LEU A 21 10.422 8.518 -7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.745 7.399 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.463 7.121 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.002 8.296 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.641 9.494 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.856 10.473 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.553 10.746 -6.866 1.00 0.00 H new ATOM 271 N VAL A 22 13.869 12.285 -7.157 1.00 0.00 N ATOM 272 CA VAL A 22 15.198 12.884 -7.134 1.00 0.00 C ATOM 273 C VAL A 22 15.853 12.715 -5.768 1.00 0.00 C ATOM 274 O VAL A 22 15.220 12.931 -4.734 1.00 0.00 O ATOM 275 CB VAL A 22 15.144 14.383 -7.483 1.00 0.00 C ATOM 276 CG1 VAL A 22 14.401 15.157 -6.405 1.00 0.00 C ATOM 277 CG2 VAL A 22 16.548 14.936 -7.676 1.00 0.00 C ATOM 0 H VAL A 22 13.158 12.818 -6.657 1.00 0.00 H new ATOM 0 HA VAL A 22 15.792 12.365 -7.886 1.00 0.00 H new ATOM 0 HB VAL A 22 14.600 14.500 -8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.373 16.214 -6.670 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.383 14.777 -6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.914 15.035 -5.451 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.491 15.996 -7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.119 14.807 -6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.041 14.401 -8.488 1.00 0.00 H new ATOM 287 N ARG A 23 17.125 12.330 -5.771 1.00 0.00 N ATOM 288 CA ARG A 23 17.866 12.131 -4.532 1.00 0.00 C ATOM 289 C ARG A 23 18.863 13.265 -4.307 1.00 0.00 C ATOM 290 O ARG A 23 19.882 13.356 -4.991 1.00 0.00 O ATOM 291 CB ARG A 23 18.602 10.790 -4.562 1.00 0.00 C ATOM 292 CG ARG A 23 17.678 9.592 -4.704 1.00 0.00 C ATOM 293 CD ARG A 23 18.268 8.353 -4.049 1.00 0.00 C ATOM 294 NE ARG A 23 19.573 8.007 -4.607 1.00 0.00 N ATOM 295 CZ ARG A 23 20.428 7.180 -4.017 1.00 0.00 C ATOM 296 NH1 ARG A 23 20.118 6.616 -2.858 1.00 0.00 N ATOM 297 NH2 ARG A 23 21.597 6.915 -4.586 1.00 0.00 N ATOM 0 H ARG A 23 17.664 12.150 -6.618 1.00 0.00 H new ATOM 0 HA ARG A 23 17.152 12.128 -3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 23 19.310 10.792 -5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 23 19.183 10.683 -3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 23 16.713 9.820 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 23 17.496 9.395 -5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 23 18.366 8.522 -2.977 1.00 0.00 H new ATOM 0 HD3 ARG A 23 17.584 7.514 -4.179 1.00 0.00 H new ATOM 0 HE ARG A 23 19.842 8.423 -5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 23 19.220 6.817 -2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 23 20.777 5.981 -2.407 1.00 0.00 H new ATOM 0 HH21 ARG A 23 21.840 7.347 -5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 23 22.253 6.280 -4.132 1.00 0.00 H new ATOM 311 N LYS A 24 18.560 14.129 -3.343 1.00 0.00 N ATOM 312 CA LYS A 24 19.428 15.257 -3.026 1.00 0.00 C ATOM 313 C LYS A 24 20.869 14.797 -2.833 1.00 0.00 C ATOM 314 O LYS A 24 21.163 13.603 -2.894 1.00 0.00 O ATOM 315 CB LYS A 24 18.934 15.968 -1.764 1.00 0.00 C ATOM 316 CG LYS A 24 17.849 16.996 -2.031 1.00 0.00 C ATOM 317 CD LYS A 24 17.632 17.902 -0.830 1.00 0.00 C ATOM 318 CE LYS A 24 16.383 18.755 -0.993 1.00 0.00 C ATOM 319 NZ LYS A 24 16.305 19.827 0.037 1.00 0.00 N ATOM 0 H LYS A 24 17.720 14.069 -2.768 1.00 0.00 H new ATOM 0 HA LYS A 24 19.397 15.954 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.554 15.225 -1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.778 16.460 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 24 18.122 17.598 -2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.917 16.487 -2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.545 17.297 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.500 18.548 -0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.377 19.204 -1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.499 18.121 -0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.440 20.386 -0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.285 19.398 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.136 20.447 -0.044 1.00 0.00 H new ATOM 333 N ASP A 25 21.763 15.751 -2.598 1.00 0.00 N ATOM 334 CA ASP A 25 23.174 15.443 -2.392 1.00 0.00 C ATOM 335 C ASP A 25 23.388 14.743 -1.054 1.00 0.00 C ATOM 336 O ASP A 25 23.755 15.373 -0.064 1.00 0.00 O ATOM 337 CB ASP A 25 24.011 16.722 -2.452 1.00 0.00 C ATOM 338 CG ASP A 25 23.482 17.804 -1.531 1.00 0.00 C ATOM 339 OD1 ASP A 25 22.399 18.354 -1.822 1.00 0.00 O ATOM 340 OD2 ASP A 25 24.150 18.100 -0.519 1.00 0.00 O ATOM 0 H ASP A 25 21.536 16.744 -2.545 1.00 0.00 H new ATOM 0 HA ASP A 25 23.494 14.771 -3.188 1.00 0.00 H new ATOM 0 HB2 ASP A 25 25.042 16.491 -2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.025 17.096 -3.476 1.00 0.00 H new ATOM 345 N GLY A 26 23.154 13.434 -1.033 1.00 0.00 N ATOM 346 CA GLY A 26 23.325 12.669 0.189 1.00 0.00 C ATOM 347 C GLY A 26 22.006 12.358 0.867 1.00 0.00 C ATOM 348 O GLY A 26 21.898 12.434 2.091 1.00 0.00 O ATOM 0 H GLY A 26 22.849 12.890 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.842 11.737 -0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.961 13.226 0.877 1.00 0.00 H new ATOM 352 N GLN A 27 21.001 12.009 0.071 1.00 0.00 N ATOM 353 CA GLN A 27 19.682 11.687 0.604 1.00 0.00 C ATOM 354 C GLN A 27 19.240 10.297 0.160 1.00 0.00 C ATOM 355 O GLN A 27 19.692 9.788 -0.865 1.00 0.00 O ATOM 356 CB GLN A 27 18.658 12.730 0.150 1.00 0.00 C ATOM 357 CG GLN A 27 17.254 12.469 0.671 1.00 0.00 C ATOM 358 CD GLN A 27 16.447 13.742 0.834 1.00 0.00 C ATOM 359 OE1 GLN A 27 16.926 14.727 1.396 1.00 0.00 O ATOM 360 NE2 GLN A 27 15.213 13.729 0.341 1.00 0.00 N ATOM 0 H GLN A 27 21.074 11.942 -0.944 1.00 0.00 H new ATOM 0 HA GLN A 27 19.744 11.698 1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.983 13.716 0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.634 12.754 -0.939 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.735 11.799 -0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 27 17.316 11.957 1.631 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.856 12.891 -0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.623 14.557 0.421 1.00 0.00 H new ATOM 369 N SER A 28 18.353 9.686 0.940 1.00 0.00 N ATOM 370 CA SER A 28 17.853 8.352 0.631 1.00 0.00 C ATOM 371 C SER A 28 16.414 8.415 0.129 1.00 0.00 C ATOM 372 O SER A 28 15.811 9.487 0.068 1.00 0.00 O ATOM 373 CB SER A 28 17.936 7.454 1.866 1.00 0.00 C ATOM 374 OG SER A 28 19.254 7.422 2.386 1.00 0.00 O ATOM 0 H SER A 28 17.966 10.094 1.791 1.00 0.00 H new ATOM 0 HA SER A 28 18.477 7.930 -0.157 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.249 7.817 2.630 1.00 0.00 H new ATOM 0 HB3 SER A 28 17.619 6.444 1.607 1.00 0.00 H new ATOM 0 HG SER A 28 19.280 6.843 3.176 1.00 0.00 H new ATOM 380 N LEU A 29 15.868 7.258 -0.230 1.00 0.00 N ATOM 381 CA LEU A 29 14.499 7.179 -0.727 1.00 0.00 C ATOM 382 C LEU A 29 13.501 7.539 0.369 1.00 0.00 C ATOM 383 O LEU A 29 12.851 8.583 0.312 1.00 0.00 O ATOM 384 CB LEU A 29 14.208 5.773 -1.256 1.00 0.00 C ATOM 385 CG LEU A 29 13.185 5.681 -2.389 1.00 0.00 C ATOM 386 CD1 LEU A 29 13.681 6.430 -3.617 1.00 0.00 C ATOM 387 CD2 LEU A 29 12.896 4.227 -2.730 1.00 0.00 C ATOM 0 H LEU A 29 16.353 6.362 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 29 14.392 7.896 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.144 5.336 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.857 5.159 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 29 12.258 6.146 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.941 6.354 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.837 7.479 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.622 5.994 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.166 4.181 -3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.817 3.737 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.497 3.720 -1.852 1.00 0.00 H new ATOM 399 N GLY A 30 13.385 6.668 1.367 1.00 0.00 N ATOM 400 CA GLY A 30 12.465 6.914 2.463 1.00 0.00 C ATOM 401 C GLY A 30 11.093 6.321 2.211 1.00 0.00 C ATOM 402 O GLY A 30 10.082 6.875 2.645 1.00 0.00 O ATOM 0 H GLY A 30 13.911 5.797 1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.877 6.493 3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.370 7.988 2.620 1.00 0.00 H new ATOM 406 N ILE A 31 11.056 5.194 1.509 1.00 0.00 N ATOM 407 CA ILE A 31 9.797 4.528 1.200 1.00 0.00 C ATOM 408 C ILE A 31 9.745 3.136 1.822 1.00 0.00 C ATOM 409 O ILE A 31 10.488 2.239 1.424 1.00 0.00 O ATOM 410 CB ILE A 31 9.582 4.407 -0.320 1.00 0.00 C ATOM 411 CG1 ILE A 31 9.617 5.790 -0.973 1.00 0.00 C ATOM 412 CG2 ILE A 31 8.262 3.709 -0.614 1.00 0.00 C ATOM 413 CD1 ILE A 31 9.622 5.744 -2.485 1.00 0.00 C ATOM 0 H ILE A 31 11.883 4.723 1.143 1.00 0.00 H new ATOM 0 HA ILE A 31 9.002 5.143 1.623 1.00 0.00 H new ATOM 0 HB ILE A 31 10.389 3.807 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.753 6.363 -0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.505 6.322 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.124 3.631 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.273 2.711 -0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.442 4.285 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.647 6.760 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.501 5.199 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.722 5.240 -2.837 1.00 0.00 H new ATOM 425 N ARG A 32 8.861 2.963 2.799 1.00 0.00 N ATOM 426 CA ARG A 32 8.711 1.681 3.476 1.00 0.00 C ATOM 427 C ARG A 32 7.847 0.730 2.653 1.00 0.00 C ATOM 428 O ARG A 32 6.783 1.110 2.163 1.00 0.00 O ATOM 429 CB ARG A 32 8.094 1.880 4.861 1.00 0.00 C ATOM 430 CG ARG A 32 9.059 2.463 5.880 1.00 0.00 C ATOM 431 CD ARG A 32 10.061 1.423 6.357 1.00 0.00 C ATOM 432 NE ARG A 32 11.154 1.240 5.405 1.00 0.00 N ATOM 433 CZ ARG A 32 11.885 0.133 5.330 1.00 0.00 C ATOM 434 NH1 ARG A 32 11.641 -0.883 6.146 1.00 0.00 N ATOM 435 NH2 ARG A 32 12.862 0.042 4.437 1.00 0.00 N ATOM 0 H ARG A 32 8.238 3.695 3.139 1.00 0.00 H new ATOM 0 HA ARG A 32 9.701 1.240 3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.230 2.539 4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.728 0.921 5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.590 3.306 5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.500 2.849 6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.467 1.727 7.322 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.551 0.472 6.511 1.00 0.00 H new ATOM 0 HE ARG A 32 11.368 2.003 4.763 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.891 -0.816 6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.204 -1.732 6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.052 0.822 3.808 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.423 -0.808 4.380 1.00 0.00 H new ATOM 449 N ILE A 33 8.310 -0.506 2.507 1.00 0.00 N ATOM 450 CA ILE A 33 7.579 -1.511 1.745 1.00 0.00 C ATOM 451 C ILE A 33 7.081 -2.633 2.649 1.00 0.00 C ATOM 452 O ILE A 33 7.523 -2.767 3.790 1.00 0.00 O ATOM 453 CB ILE A 33 8.451 -2.116 0.628 1.00 0.00 C ATOM 454 CG1 ILE A 33 9.661 -2.835 1.229 1.00 0.00 C ATOM 455 CG2 ILE A 33 8.899 -1.031 -0.340 1.00 0.00 C ATOM 456 CD1 ILE A 33 10.189 -3.956 0.363 1.00 0.00 C ATOM 0 H ILE A 33 9.189 -0.836 2.906 1.00 0.00 H new ATOM 0 HA ILE A 33 6.725 -1.005 1.295 1.00 0.00 H new ATOM 0 HB ILE A 33 7.856 -2.844 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.458 -2.110 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.387 -3.238 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.514 -1.474 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.024 -0.560 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.480 -0.281 0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.046 -4.420 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.407 -4.701 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.495 -3.556 -0.604 1.00 0.00 H new ATOM 468 N VAL A 34 6.159 -3.438 2.132 1.00 0.00 N ATOM 469 CA VAL A 34 5.602 -4.551 2.892 1.00 0.00 C ATOM 470 C VAL A 34 5.244 -5.716 1.976 1.00 0.00 C ATOM 471 O VAL A 34 4.791 -5.518 0.850 1.00 0.00 O ATOM 472 CB VAL A 34 4.347 -4.123 3.676 1.00 0.00 C ATOM 473 CG1 VAL A 34 3.131 -4.095 2.763 1.00 0.00 C ATOM 474 CG2 VAL A 34 4.116 -5.053 4.857 1.00 0.00 C ATOM 0 H VAL A 34 5.782 -3.340 1.189 1.00 0.00 H new ATOM 0 HA VAL A 34 6.370 -4.870 3.597 1.00 0.00 H new ATOM 0 HB VAL A 34 4.505 -3.116 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.254 -3.791 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.301 -3.386 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.966 -5.089 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.226 -4.737 5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.978 -6.072 4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.979 -5.017 5.522 1.00 0.00 H new ATOM 484 N GLY A 35 5.449 -6.934 2.469 1.00 0.00 N ATOM 485 CA GLY A 35 5.142 -8.114 1.683 1.00 0.00 C ATOM 486 C GLY A 35 3.808 -8.730 2.058 1.00 0.00 C ATOM 487 O GLY A 35 3.754 -9.685 2.833 1.00 0.00 O ATOM 0 H GLY A 35 5.822 -7.124 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.132 -7.850 0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.931 -8.853 1.820 1.00 0.00 H new ATOM 491 N TYR A 36 2.730 -8.182 1.509 1.00 0.00 N ATOM 492 CA TYR A 36 1.390 -8.681 1.794 1.00 0.00 C ATOM 493 C TYR A 36 1.272 -10.159 1.437 1.00 0.00 C ATOM 494 O TYR A 36 2.057 -10.684 0.648 1.00 0.00 O ATOM 495 CB TYR A 36 0.347 -7.873 1.019 1.00 0.00 C ATOM 496 CG TYR A 36 -0.257 -6.740 1.818 1.00 0.00 C ATOM 497 CD1 TYR A 36 0.357 -5.494 1.866 1.00 0.00 C ATOM 498 CD2 TYR A 36 -1.439 -6.915 2.526 1.00 0.00 C ATOM 499 CE1 TYR A 36 -0.190 -4.456 2.595 1.00 0.00 C ATOM 500 CE2 TYR A 36 -1.994 -5.882 3.256 1.00 0.00 C ATOM 501 CZ TYR A 36 -1.366 -4.655 3.288 1.00 0.00 C ATOM 502 OH TYR A 36 -1.915 -3.624 4.015 1.00 0.00 O ATOM 0 H TYR A 36 2.758 -7.392 0.864 1.00 0.00 H new ATOM 0 HA TYR A 36 1.207 -8.568 2.863 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.810 -7.466 0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.450 -8.542 0.693 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.277 -5.335 1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.933 -7.875 2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.300 -3.494 2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.915 -6.035 3.799 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.743 -3.929 4.442 1.00 0.00 H new ATOM 624 N SER A 46 -2.105 -9.742 -2.370 1.00 0.00 N ATOM 625 CA SER A 46 -0.730 -10.163 -2.124 1.00 0.00 C ATOM 626 C SER A 46 0.240 -9.399 -3.021 1.00 0.00 C ATOM 627 O SER A 46 -0.034 -9.172 -4.199 1.00 0.00 O ATOM 628 CB SER A 46 -0.585 -11.667 -2.361 1.00 0.00 C ATOM 629 OG SER A 46 0.779 -12.038 -2.458 1.00 0.00 O ATOM 0 HA SER A 46 -0.488 -9.942 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.057 -12.214 -1.545 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.107 -11.946 -3.276 1.00 0.00 H new ATOM 0 HG SER A 46 0.845 -13.004 -2.608 1.00 0.00 H new ATOM 635 N GLY A 47 1.375 -9.004 -2.453 1.00 0.00 N ATOM 636 CA GLY A 47 2.369 -8.270 -3.214 1.00 0.00 C ATOM 637 C GLY A 47 3.044 -7.189 -2.394 1.00 0.00 C ATOM 638 O GLY A 47 2.793 -7.061 -1.196 1.00 0.00 O ATOM 0 H GLY A 47 1.624 -9.179 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.123 -8.964 -3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.895 -7.818 -4.085 1.00 0.00 H new ATOM 642 N ILE A 48 3.905 -6.409 -3.041 1.00 0.00 N ATOM 643 CA ILE A 48 4.618 -5.333 -2.363 1.00 0.00 C ATOM 644 C ILE A 48 3.788 -4.054 -2.337 1.00 0.00 C ATOM 645 O ILE A 48 3.306 -3.594 -3.372 1.00 0.00 O ATOM 646 CB ILE A 48 5.970 -5.041 -3.040 1.00 0.00 C ATOM 647 CG1 ILE A 48 6.801 -6.322 -3.144 1.00 0.00 C ATOM 648 CG2 ILE A 48 6.729 -3.972 -2.268 1.00 0.00 C ATOM 649 CD1 ILE A 48 7.206 -6.889 -1.802 1.00 0.00 C ATOM 0 H ILE A 48 4.125 -6.502 -4.033 1.00 0.00 H new ATOM 0 HA ILE A 48 4.797 -5.667 -1.341 1.00 0.00 H new ATOM 0 HB ILE A 48 5.782 -4.670 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.229 -7.073 -3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.698 -6.117 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.682 -3.777 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.140 -3.055 -2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.909 -4.317 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.792 -7.796 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.805 -6.155 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.314 -7.126 -1.223 1.00 0.00 H new ATOM 661 N TYR A 49 3.627 -3.484 -1.148 1.00 0.00 N ATOM 662 CA TYR A 49 2.855 -2.258 -0.986 1.00 0.00 C ATOM 663 C TYR A 49 3.602 -1.255 -0.113 1.00 0.00 C ATOM 664 O TYR A 49 4.476 -1.626 0.671 1.00 0.00 O ATOM 665 CB TYR A 49 1.489 -2.568 -0.372 1.00 0.00 C ATOM 666 CG TYR A 49 0.622 -3.454 -1.238 1.00 0.00 C ATOM 667 CD1 TYR A 49 0.816 -4.830 -1.270 1.00 0.00 C ATOM 668 CD2 TYR A 49 -0.389 -2.916 -2.024 1.00 0.00 C ATOM 669 CE1 TYR A 49 0.027 -5.644 -2.061 1.00 0.00 C ATOM 670 CE2 TYR A 49 -1.183 -3.722 -2.816 1.00 0.00 C ATOM 671 CZ TYR A 49 -0.971 -5.085 -2.831 1.00 0.00 C ATOM 672 OH TYR A 49 -1.760 -5.891 -3.620 1.00 0.00 O ATOM 0 H TYR A 49 4.021 -3.852 -0.282 1.00 0.00 H new ATOM 0 HA TYR A 49 2.711 -1.817 -1.972 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.636 -3.050 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.964 -1.632 -0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.596 -5.270 -0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.557 -1.849 -2.016 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.191 -6.711 -2.076 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.966 -3.288 -3.420 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.415 -5.341 -4.098 1.00 0.00 H new ATOM 682 N VAL A 50 3.252 0.019 -0.254 1.00 0.00 N ATOM 683 CA VAL A 50 3.887 1.078 0.522 1.00 0.00 C ATOM 684 C VAL A 50 3.307 1.150 1.930 1.00 0.00 C ATOM 685 O VAL A 50 2.209 1.667 2.136 1.00 0.00 O ATOM 686 CB VAL A 50 3.723 2.449 -0.160 1.00 0.00 C ATOM 687 CG1 VAL A 50 4.184 3.564 0.766 1.00 0.00 C ATOM 688 CG2 VAL A 50 4.488 2.485 -1.474 1.00 0.00 C ATOM 0 H VAL A 50 2.531 0.343 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 50 4.948 0.835 0.581 1.00 0.00 H new ATOM 0 HB VAL A 50 2.666 2.604 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.061 4.525 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.588 3.549 1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.235 3.417 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.361 3.461 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.547 2.309 -1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.105 1.711 -2.139 1.00 0.00 H new ATOM 698 N LYS A 51 4.052 0.627 2.898 1.00 0.00 N ATOM 699 CA LYS A 51 3.614 0.633 4.289 1.00 0.00 C ATOM 700 C LYS A 51 3.583 2.054 4.844 1.00 0.00 C ATOM 701 O LYS A 51 2.672 2.421 5.586 1.00 0.00 O ATOM 702 CB LYS A 51 4.541 -0.238 5.140 1.00 0.00 C ATOM 703 CG LYS A 51 4.131 -0.315 6.601 1.00 0.00 C ATOM 704 CD LYS A 51 3.044 -1.354 6.820 1.00 0.00 C ATOM 705 CE LYS A 51 2.838 -1.642 8.299 1.00 0.00 C ATOM 706 NZ LYS A 51 2.056 -0.567 8.970 1.00 0.00 N ATOM 0 H LYS A 51 4.962 0.193 2.745 1.00 0.00 H new ATOM 0 HA LYS A 51 2.604 0.225 4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.563 -1.245 4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.556 0.155 5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.000 -0.562 7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.775 0.661 6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.109 -1.002 6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.311 -2.276 6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.320 -2.594 8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.807 -1.745 8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.937 -0.801 9.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.562 0.337 8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.121 -0.486 8.521 1.00 0.00 H new ATOM 720 N SER A 52 4.583 2.850 4.477 1.00 0.00 N ATOM 721 CA SER A 52 4.670 4.230 4.940 1.00 0.00 C ATOM 722 C SER A 52 5.605 5.043 4.050 1.00 0.00 C ATOM 723 O SER A 52 6.330 4.490 3.222 1.00 0.00 O ATOM 724 CB SER A 52 5.160 4.274 6.389 1.00 0.00 C ATOM 725 OG SER A 52 4.109 3.982 7.292 1.00 0.00 O ATOM 0 H SER A 52 5.344 2.563 3.861 1.00 0.00 H new ATOM 0 HA SER A 52 3.674 4.669 4.888 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.970 3.557 6.524 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.568 5.261 6.608 1.00 0.00 H new ATOM 0 HG SER A 52 3.391 3.513 6.818 1.00 0.00 H new ATOM 731 N VAL A 53 5.583 6.360 4.226 1.00 0.00 N ATOM 732 CA VAL A 53 6.428 7.251 3.441 1.00 0.00 C ATOM 733 C VAL A 53 7.148 8.255 4.334 1.00 0.00 C ATOM 734 O VAL A 53 6.607 9.314 4.657 1.00 0.00 O ATOM 735 CB VAL A 53 5.609 8.016 2.384 1.00 0.00 C ATOM 736 CG1 VAL A 53 6.464 9.079 1.712 1.00 0.00 C ATOM 737 CG2 VAL A 53 5.035 7.053 1.356 1.00 0.00 C ATOM 0 H VAL A 53 4.988 6.834 4.906 1.00 0.00 H new ATOM 0 HA VAL A 53 7.164 6.625 2.936 1.00 0.00 H new ATOM 0 HB VAL A 53 4.779 8.515 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.868 9.609 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.821 9.786 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.316 8.606 1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.459 7.610 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.848 6.524 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.385 6.333 1.854 1.00 0.00 H new ATOM 747 N ILE A 54 8.370 7.916 4.731 1.00 0.00 N ATOM 748 CA ILE A 54 9.165 8.789 5.586 1.00 0.00 C ATOM 749 C ILE A 54 9.065 10.242 5.133 1.00 0.00 C ATOM 750 O ILE A 54 9.224 10.563 3.955 1.00 0.00 O ATOM 751 CB ILE A 54 10.646 8.368 5.600 1.00 0.00 C ATOM 752 CG1 ILE A 54 10.835 7.117 6.460 1.00 0.00 C ATOM 753 CG2 ILE A 54 11.516 9.506 6.112 1.00 0.00 C ATOM 754 CD1 ILE A 54 10.795 5.828 5.669 1.00 0.00 C ATOM 0 H ILE A 54 8.831 7.043 4.474 1.00 0.00 H new ATOM 0 HA ILE A 54 8.760 8.696 6.594 1.00 0.00 H new ATOM 0 HB ILE A 54 10.951 8.134 4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.790 7.185 6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.057 7.090 7.223 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.560 9.193 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 54 11.400 10.373 5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.212 9.769 7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.936 4.983 6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.830 5.737 5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.590 5.834 4.923 1.00 0.00 H new ATOM 766 N PRO A 55 8.797 11.143 6.090 1.00 0.00 N ATOM 767 CA PRO A 55 8.673 12.577 5.814 1.00 0.00 C ATOM 768 C PRO A 55 10.009 13.216 5.450 1.00 0.00 C ATOM 769 O PRO A 55 11.070 12.672 5.753 1.00 0.00 O ATOM 770 CB PRO A 55 8.149 13.148 7.134 1.00 0.00 C ATOM 771 CG PRO A 55 8.607 12.183 8.173 1.00 0.00 C ATOM 772 CD PRO A 55 8.596 10.831 7.515 1.00 0.00 C ATOM 0 HA PRO A 55 8.023 12.773 4.961 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.546 14.146 7.319 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.062 13.234 7.125 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.606 12.436 8.528 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.947 12.201 9.040 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.388 10.190 7.901 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.653 10.310 7.683 1.00 0.00 H new ATOM 780 N GLY A 56 9.949 14.373 4.799 1.00 0.00 N ATOM 781 CA GLY A 56 11.161 15.066 4.405 1.00 0.00 C ATOM 782 C GLY A 56 12.075 14.202 3.559 1.00 0.00 C ATOM 783 O GLY A 56 13.292 14.383 3.564 1.00 0.00 O ATOM 0 H GLY A 56 9.082 14.843 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.897 15.964 3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.696 15.391 5.297 1.00 0.00 H new ATOM 787 N SER A 57 11.486 13.259 2.830 1.00 0.00 N ATOM 788 CA SER A 57 12.256 12.359 1.979 1.00 0.00 C ATOM 789 C SER A 57 11.915 12.579 0.508 1.00 0.00 C ATOM 790 O SER A 57 10.970 13.294 0.179 1.00 0.00 O ATOM 791 CB SER A 57 11.986 10.903 2.364 1.00 0.00 C ATOM 792 OG SER A 57 10.842 10.402 1.695 1.00 0.00 O ATOM 0 H SER A 57 10.479 13.099 2.812 1.00 0.00 H new ATOM 0 HA SER A 57 13.314 12.576 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.853 10.291 2.116 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.842 10.829 3.442 1.00 0.00 H new ATOM 0 HG SER A 57 10.089 10.360 2.321 1.00 0.00 H new ATOM 798 N ALA A 58 12.694 11.958 -0.372 1.00 0.00 N ATOM 799 CA ALA A 58 12.475 12.084 -1.808 1.00 0.00 C ATOM 800 C ALA A 58 11.047 11.701 -2.181 1.00 0.00 C ATOM 801 O ALA A 58 10.376 12.417 -2.923 1.00 0.00 O ATOM 802 CB ALA A 58 13.471 11.223 -2.571 1.00 0.00 C ATOM 0 H ALA A 58 13.482 11.363 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 58 12.627 13.127 -2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.296 11.327 -3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.485 11.545 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.346 10.179 -2.282 1.00 0.00 H new ATOM 808 N ALA A 59 10.589 10.566 -1.662 1.00 0.00 N ATOM 809 CA ALA A 59 9.240 10.089 -1.940 1.00 0.00 C ATOM 810 C ALA A 59 8.196 11.114 -1.512 1.00 0.00 C ATOM 811 O ALA A 59 7.348 11.519 -2.307 1.00 0.00 O ATOM 812 CB ALA A 59 8.996 8.760 -1.240 1.00 0.00 C ATOM 0 H ALA A 59 11.132 9.960 -1.047 1.00 0.00 H new ATOM 0 HA ALA A 59 9.147 9.943 -3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.985 8.415 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.715 8.023 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.113 8.889 -0.164 1.00 0.00 H new ATOM 818 N TYR A 60 8.263 11.529 -0.252 1.00 0.00 N ATOM 819 CA TYR A 60 7.321 12.505 0.283 1.00 0.00 C ATOM 820 C TYR A 60 7.356 13.796 -0.528 1.00 0.00 C ATOM 821 O TYR A 60 6.314 14.355 -0.874 1.00 0.00 O ATOM 822 CB TYR A 60 7.638 12.801 1.749 1.00 0.00 C ATOM 823 CG TYR A 60 6.861 13.969 2.313 1.00 0.00 C ATOM 824 CD1 TYR A 60 5.603 13.786 2.874 1.00 0.00 C ATOM 825 CD2 TYR A 60 7.385 15.255 2.286 1.00 0.00 C ATOM 826 CE1 TYR A 60 4.889 14.850 3.389 1.00 0.00 C ATOM 827 CE2 TYR A 60 6.679 16.326 2.801 1.00 0.00 C ATOM 828 CZ TYR A 60 5.431 16.118 3.350 1.00 0.00 C ATOM 829 OH TYR A 60 4.724 17.181 3.864 1.00 0.00 O ATOM 0 H TYR A 60 8.960 11.205 0.418 1.00 0.00 H new ATOM 0 HA TYR A 60 6.319 12.081 0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.426 11.913 2.344 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.704 13.003 1.848 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.176 12.794 2.908 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.361 15.421 1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.912 14.690 3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.102 17.319 2.774 1.00 0.00 H new ATOM 0 HH TYR A 60 5.247 18.003 3.759 1.00 0.00 H new ATOM 839 N HIS A 61 8.563 14.266 -0.829 1.00 0.00 N ATOM 840 CA HIS A 61 8.736 15.492 -1.600 1.00 0.00 C ATOM 841 C HIS A 61 7.940 15.432 -2.901 1.00 0.00 C ATOM 842 O HIS A 61 7.081 16.275 -3.154 1.00 0.00 O ATOM 843 CB HIS A 61 10.216 15.724 -1.904 1.00 0.00 C ATOM 844 CG HIS A 61 11.013 16.149 -0.709 1.00 0.00 C ATOM 845 ND1 HIS A 61 10.520 16.994 0.263 1.00 0.00 N ATOM 846 CD2 HIS A 61 12.276 15.839 -0.331 1.00 0.00 C ATOM 847 CE1 HIS A 61 11.446 17.187 1.186 1.00 0.00 C ATOM 848 NE2 HIS A 61 12.520 16.497 0.849 1.00 0.00 N ATOM 0 H HIS A 61 9.435 13.816 -0.551 1.00 0.00 H new ATOM 0 HA HIS A 61 8.361 16.324 -1.003 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.644 14.807 -2.308 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.304 16.485 -2.679 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.963 15.194 -0.859 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.342 17.804 2.066 1.00 0.00 H new ATOM 0 HE2 HIS A 61 13.390 16.459 1.380 1.00 0.00 H new ATOM 857 N ASN A 62 8.234 14.429 -3.723 1.00 0.00 N ATOM 858 CA ASN A 62 7.547 14.260 -4.998 1.00 0.00 C ATOM 859 C ASN A 62 6.038 14.398 -4.826 1.00 0.00 C ATOM 860 O ASN A 62 5.411 15.269 -5.427 1.00 0.00 O ATOM 861 CB ASN A 62 7.880 12.895 -5.603 1.00 0.00 C ATOM 862 CG ASN A 62 7.850 12.912 -7.119 1.00 0.00 C ATOM 863 OD1 ASN A 62 7.246 11.887 -7.710 1.00 0.00 O flip ATOM 864 ND2 ASN A 62 8.363 13.835 -7.751 1.00 0.00 N flip ATOM 0 H ASN A 62 8.943 13.722 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 62 7.890 15.043 -5.674 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.868 12.582 -5.265 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.169 12.155 -5.236 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.817 14.602 -7.255 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.335 13.833 -8.771 1.00 0.00 H new ATOM 871 N GLY A 63 5.460 13.532 -3.998 1.00 0.00 N ATOM 872 CA GLY A 63 4.029 13.574 -3.761 1.00 0.00 C ATOM 873 C GLY A 63 3.261 12.645 -4.680 1.00 0.00 C ATOM 874 O GLY A 63 2.096 12.892 -4.992 1.00 0.00 O ATOM 0 H GLY A 63 5.958 12.802 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.828 13.303 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.671 14.594 -3.899 1.00 0.00 H new ATOM 878 N HIS A 64 3.915 11.574 -5.117 1.00 0.00 N ATOM 879 CA HIS A 64 3.287 10.605 -6.007 1.00 0.00 C ATOM 880 C HIS A 64 3.221 9.228 -5.353 1.00 0.00 C ATOM 881 O HIS A 64 2.229 8.511 -5.491 1.00 0.00 O ATOM 882 CB HIS A 64 4.055 10.519 -7.327 1.00 0.00 C ATOM 883 CG HIS A 64 3.847 11.704 -8.219 1.00 0.00 C ATOM 884 ND1 HIS A 64 3.479 11.594 -9.543 1.00 0.00 N ATOM 885 CD2 HIS A 64 3.957 13.030 -7.970 1.00 0.00 C ATOM 886 CE1 HIS A 64 3.372 12.800 -10.070 1.00 0.00 C ATOM 887 NE2 HIS A 64 3.657 13.690 -9.136 1.00 0.00 N ATOM 0 H HIS A 64 4.880 11.355 -4.869 1.00 0.00 H new ATOM 0 HA HIS A 64 2.270 10.941 -6.208 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.119 10.418 -7.113 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.750 9.617 -7.858 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.230 13.484 -7.029 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.098 13.021 -11.091 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.655 14.702 -9.261 1.00 0.00 H new ATOM 896 N ILE A 65 4.283 8.865 -4.642 1.00 0.00 N ATOM 897 CA ILE A 65 4.345 7.575 -3.966 1.00 0.00 C ATOM 898 C ILE A 65 3.833 7.679 -2.534 1.00 0.00 C ATOM 899 O ILE A 65 4.429 8.360 -1.699 1.00 0.00 O ATOM 900 CB ILE A 65 5.781 7.018 -3.947 1.00 0.00 C ATOM 901 CG1 ILE A 65 6.297 6.829 -5.374 1.00 0.00 C ATOM 902 CG2 ILE A 65 5.829 5.705 -3.181 1.00 0.00 C ATOM 903 CD1 ILE A 65 7.795 6.994 -5.502 1.00 0.00 C ATOM 0 H ILE A 65 5.112 9.446 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 65 3.707 6.893 -4.528 1.00 0.00 H new ATOM 0 HB ILE A 65 6.427 7.735 -3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.018 5.835 -5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.803 7.548 -6.028 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.850 5.324 -3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.498 5.870 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.173 4.979 -3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.090 6.846 -6.541 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.079 7.997 -5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.297 6.258 -4.874 1.00 0.00 H new ATOM 915 N GLN A 66 2.725 6.999 -2.256 1.00 0.00 N ATOM 916 CA GLN A 66 2.133 7.015 -0.924 1.00 0.00 C ATOM 917 C GLN A 66 1.601 5.636 -0.548 1.00 0.00 C ATOM 918 O GLN A 66 1.615 4.711 -1.361 1.00 0.00 O ATOM 919 CB GLN A 66 1.006 8.046 -0.855 1.00 0.00 C ATOM 920 CG GLN A 66 1.316 9.337 -1.596 1.00 0.00 C ATOM 921 CD GLN A 66 0.863 9.304 -3.042 1.00 0.00 C ATOM 922 OE1 GLN A 66 1.283 10.297 -3.817 1.00 0.00 O flip ATOM 923 NE2 GLN A 66 0.143 8.396 -3.459 1.00 0.00 N flip ATOM 0 H GLN A 66 2.220 6.430 -2.935 1.00 0.00 H new ATOM 0 HA GLN A 66 2.911 7.291 -0.212 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.098 7.608 -1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.800 8.277 0.190 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.831 10.169 -1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.389 9.523 -1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.157 7.652 -2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.154 8.388 -4.435 1.00 0.00 H new ATOM 932 N VAL A 67 1.131 5.505 0.688 1.00 0.00 N ATOM 933 CA VAL A 67 0.593 4.239 1.171 1.00 0.00 C ATOM 934 C VAL A 67 -0.585 3.781 0.318 1.00 0.00 C ATOM 935 O VAL A 67 -1.141 4.557 -0.458 1.00 0.00 O ATOM 936 CB VAL A 67 0.139 4.345 2.639 1.00 0.00 C ATOM 937 CG1 VAL A 67 1.304 4.744 3.531 1.00 0.00 C ATOM 938 CG2 VAL A 67 -1.007 5.337 2.771 1.00 0.00 C ATOM 0 H VAL A 67 1.112 6.260 1.373 1.00 0.00 H new ATOM 0 HA VAL A 67 1.397 3.506 1.099 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.217 3.367 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.964 4.814 4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.092 3.994 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.693 5.711 3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.316 5.400 3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.679 6.319 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.848 5.004 2.163 1.00 0.00 H new ATOM 948 N ASN A 68 -0.961 2.515 0.468 1.00 0.00 N ATOM 949 CA ASN A 68 -2.073 1.953 -0.289 1.00 0.00 C ATOM 950 C ASN A 68 -1.731 1.863 -1.773 1.00 0.00 C ATOM 951 O ASN A 68 -2.608 1.969 -2.630 1.00 0.00 O ATOM 952 CB ASN A 68 -3.330 2.803 -0.094 1.00 0.00 C ATOM 953 CG ASN A 68 -3.433 3.370 1.308 1.00 0.00 C ATOM 954 OD1 ASN A 68 -3.024 2.734 2.279 1.00 0.00 O ATOM 955 ND2 ASN A 68 -3.983 4.574 1.420 1.00 0.00 N ATOM 0 H ASN A 68 -0.512 1.859 1.107 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.262 0.946 0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.327 3.621 -0.814 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.211 2.197 -0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.080 5.007 2.338 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.308 5.065 0.588 1.00 0.00 H new ATOM 962 N ASP A 69 -0.451 1.666 -2.068 1.00 0.00 N ATOM 963 CA ASP A 69 0.008 1.559 -3.448 1.00 0.00 C ATOM 964 C ASP A 69 0.706 0.224 -3.688 1.00 0.00 C ATOM 965 O ASP A 69 1.230 -0.391 -2.758 1.00 0.00 O ATOM 966 CB ASP A 69 0.955 2.712 -3.784 1.00 0.00 C ATOM 967 CG ASP A 69 0.215 3.962 -4.219 1.00 0.00 C ATOM 968 OD1 ASP A 69 -0.199 4.744 -3.338 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.051 4.158 -5.441 1.00 0.00 O ATOM 0 H ASP A 69 0.287 1.577 -1.370 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.864 1.614 -4.100 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.567 2.941 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.634 2.401 -4.578 1.00 0.00 H new ATOM 974 N LYS A 70 0.710 -0.220 -4.940 1.00 0.00 N ATOM 975 CA LYS A 70 1.344 -1.482 -5.303 1.00 0.00 C ATOM 976 C LYS A 70 2.480 -1.254 -6.295 1.00 0.00 C ATOM 977 O LYS A 70 2.273 -0.699 -7.374 1.00 0.00 O ATOM 978 CB LYS A 70 0.313 -2.440 -5.904 1.00 0.00 C ATOM 979 CG LYS A 70 0.636 -3.905 -5.672 1.00 0.00 C ATOM 980 CD LYS A 70 0.056 -4.785 -6.767 1.00 0.00 C ATOM 981 CE LYS A 70 1.023 -4.935 -7.932 1.00 0.00 C ATOM 982 NZ LYS A 70 0.603 -6.017 -8.865 1.00 0.00 N ATOM 0 H LYS A 70 0.281 0.276 -5.721 1.00 0.00 H new ATOM 0 HA LYS A 70 1.759 -1.925 -4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.666 -2.221 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.242 -2.258 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.717 -4.038 -5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.240 -4.217 -4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.179 -5.768 -6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.880 -4.355 -7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.087 -3.992 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.021 -5.151 -7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.287 -6.088 -9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.566 -6.922 -8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.338 -5.798 -9.249 1.00 0.00 H new ATOM 996 N ILE A 71 3.680 -1.687 -5.922 1.00 0.00 N ATOM 997 CA ILE A 71 4.848 -1.532 -6.780 1.00 0.00 C ATOM 998 C ILE A 71 4.985 -2.709 -7.740 1.00 0.00 C ATOM 999 O ILE A 71 4.896 -3.868 -7.335 1.00 0.00 O ATOM 1000 CB ILE A 71 6.141 -1.406 -5.953 1.00 0.00 C ATOM 1001 CG1 ILE A 71 6.014 -0.268 -4.938 1.00 0.00 C ATOM 1002 CG2 ILE A 71 7.335 -1.176 -6.869 1.00 0.00 C ATOM 1003 CD1 ILE A 71 5.435 -0.704 -3.611 1.00 0.00 C ATOM 0 H ILE A 71 3.868 -2.148 -5.032 1.00 0.00 H new ATOM 0 HA ILE A 71 4.701 -0.615 -7.351 1.00 0.00 H new ATOM 0 HB ILE A 71 6.299 -2.337 -5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.998 0.169 -4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.385 0.516 -5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.242 -1.089 -6.270 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.433 -2.016 -7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.186 -0.258 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.374 0.154 -2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.437 -1.114 -3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.076 -1.466 -3.167 1.00 0.00 H new ATOM 1015 N VAL A 72 5.202 -2.404 -9.015 1.00 0.00 N ATOM 1016 CA VAL A 72 5.354 -3.436 -10.033 1.00 0.00 C ATOM 1017 C VAL A 72 6.782 -3.476 -10.566 1.00 0.00 C ATOM 1018 O VAL A 72 7.248 -4.509 -11.047 1.00 0.00 O ATOM 1019 CB VAL A 72 4.385 -3.212 -11.209 1.00 0.00 C ATOM 1020 CG1 VAL A 72 2.974 -3.629 -10.825 1.00 0.00 C ATOM 1021 CG2 VAL A 72 4.417 -1.758 -11.656 1.00 0.00 C ATOM 0 H VAL A 72 5.277 -1.450 -9.368 1.00 0.00 H new ATOM 0 HA VAL A 72 5.120 -4.388 -9.556 1.00 0.00 H new ATOM 0 HB VAL A 72 4.707 -3.833 -12.045 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.303 -3.464 -11.668 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.967 -4.686 -10.558 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.639 -3.037 -9.973 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.726 -1.618 -12.488 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.121 -1.116 -10.826 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.426 -1.497 -11.975 1.00 0.00 H new ATOM 1031 N ALA A 73 7.473 -2.344 -10.478 1.00 0.00 N ATOM 1032 CA ALA A 73 8.849 -2.250 -10.949 1.00 0.00 C ATOM 1033 C ALA A 73 9.537 -1.010 -10.389 1.00 0.00 C ATOM 1034 O ALA A 73 8.943 0.066 -10.322 1.00 0.00 O ATOM 1035 CB ALA A 73 8.886 -2.234 -12.470 1.00 0.00 C ATOM 0 H ALA A 73 7.102 -1.479 -10.085 1.00 0.00 H new ATOM 0 HA ALA A 73 9.390 -3.126 -10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.920 -2.163 -12.808 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.440 -3.151 -12.854 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.324 -1.376 -12.839 1.00 0.00 H new ATOM 1041 N VAL A 74 10.794 -1.168 -9.986 1.00 0.00 N ATOM 1042 CA VAL A 74 11.564 -0.061 -9.431 1.00 0.00 C ATOM 1043 C VAL A 74 12.689 0.353 -10.373 1.00 0.00 C ATOM 1044 O VAL A 74 13.551 -0.455 -10.720 1.00 0.00 O ATOM 1045 CB VAL A 74 12.165 -0.426 -8.061 1.00 0.00 C ATOM 1046 CG1 VAL A 74 13.067 0.691 -7.558 1.00 0.00 C ATOM 1047 CG2 VAL A 74 11.061 -0.723 -7.057 1.00 0.00 C ATOM 0 H VAL A 74 11.301 -2.052 -10.034 1.00 0.00 H new ATOM 0 HA VAL A 74 10.873 0.773 -9.306 1.00 0.00 H new ATOM 0 HB VAL A 74 12.771 -1.325 -8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 74 13.482 0.415 -6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 74 13.878 0.851 -8.268 1.00 0.00 H new ATOM 0 HG13 VAL A 74 12.488 1.609 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 74 11.504 -0.979 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.427 0.156 -6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.460 -1.559 -7.414 1.00 0.00 H new ATOM 1057 N ASP A 75 12.675 1.616 -10.783 1.00 0.00 N ATOM 1058 CA ASP A 75 13.696 2.139 -11.685 1.00 0.00 C ATOM 1059 C ASP A 75 13.808 1.275 -12.938 1.00 0.00 C ATOM 1060 O ASP A 75 14.853 1.235 -13.585 1.00 0.00 O ATOM 1061 CB ASP A 75 15.048 2.206 -10.974 1.00 0.00 C ATOM 1062 CG ASP A 75 15.716 0.848 -10.871 1.00 0.00 C ATOM 1063 OD1 ASP A 75 16.306 0.400 -11.876 1.00 0.00 O ATOM 1064 OD2 ASP A 75 15.648 0.234 -9.786 1.00 0.00 O ATOM 0 H ASP A 75 11.968 2.297 -10.506 1.00 0.00 H new ATOM 0 HA ASP A 75 13.401 3.145 -11.984 1.00 0.00 H new ATOM 0 HB2 ASP A 75 15.704 2.891 -11.511 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.909 2.616 -9.974 1.00 0.00 H new ATOM 1069 N GLY A 76 12.722 0.584 -13.273 1.00 0.00 N ATOM 1070 CA GLY A 76 12.720 -0.270 -14.446 1.00 0.00 C ATOM 1071 C GLY A 76 12.838 -1.739 -14.094 1.00 0.00 C ATOM 1072 O GLY A 76 12.487 -2.607 -14.893 1.00 0.00 O ATOM 0 H GLY A 76 11.845 0.601 -12.753 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.801 -0.107 -15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.547 0.012 -15.098 1.00 0.00 H new ATOM 1076 N VAL A 77 13.337 -2.020 -12.894 1.00 0.00 N ATOM 1077 CA VAL A 77 13.501 -3.395 -12.437 1.00 0.00 C ATOM 1078 C VAL A 77 12.165 -3.999 -12.019 1.00 0.00 C ATOM 1079 O VAL A 77 11.510 -3.506 -11.103 1.00 0.00 O ATOM 1080 CB VAL A 77 14.483 -3.480 -11.253 1.00 0.00 C ATOM 1081 CG1 VAL A 77 14.642 -4.921 -10.793 1.00 0.00 C ATOM 1082 CG2 VAL A 77 15.829 -2.882 -11.634 1.00 0.00 C ATOM 0 H VAL A 77 13.635 -1.314 -12.221 1.00 0.00 H new ATOM 0 HA VAL A 77 13.905 -3.961 -13.276 1.00 0.00 H new ATOM 0 HB VAL A 77 14.076 -2.902 -10.423 1.00 0.00 H new ATOM 0 HG11 VAL A 77 15.339 -4.961 -9.956 1.00 0.00 H new ATOM 0 HG12 VAL A 77 13.674 -5.311 -10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 77 15.027 -5.525 -11.615 1.00 0.00 H new ATOM 0 HG21 VAL A 77 16.511 -2.950 -10.786 1.00 0.00 H new ATOM 0 HG22 VAL A 77 16.245 -3.431 -12.479 1.00 0.00 H new ATOM 0 HG23 VAL A 77 15.697 -1.836 -11.910 1.00 0.00 H new ATOM 1092 N ASN A 78 11.768 -5.071 -12.698 1.00 0.00 N ATOM 1093 CA ASN A 78 10.510 -5.743 -12.397 1.00 0.00 C ATOM 1094 C ASN A 78 10.600 -6.501 -11.076 1.00 0.00 C ATOM 1095 O ASN A 78 11.058 -7.643 -11.034 1.00 0.00 O ATOM 1096 CB ASN A 78 10.140 -6.707 -13.526 1.00 0.00 C ATOM 1097 CG ASN A 78 8.668 -7.074 -13.514 1.00 0.00 C ATOM 1098 OD1 ASN A 78 8.310 -8.243 -13.369 1.00 0.00 O ATOM 1099 ND2 ASN A 78 7.808 -6.074 -13.668 1.00 0.00 N ATOM 0 H ASN A 78 12.300 -5.492 -13.460 1.00 0.00 H new ATOM 0 HA ASN A 78 9.734 -4.983 -12.307 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.391 -6.253 -14.485 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.738 -7.614 -13.437 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.805 -6.260 -13.669 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.150 -5.120 -13.785 1.00 0.00 H new ATOM 1106 N ILE A 79 10.160 -5.857 -10.000 1.00 0.00 N ATOM 1107 CA ILE A 79 10.189 -6.470 -8.678 1.00 0.00 C ATOM 1108 C ILE A 79 8.913 -7.262 -8.411 1.00 0.00 C ATOM 1109 O ILE A 79 8.637 -7.647 -7.275 1.00 0.00 O ATOM 1110 CB ILE A 79 10.366 -5.414 -7.571 1.00 0.00 C ATOM 1111 CG1 ILE A 79 9.142 -4.498 -7.510 1.00 0.00 C ATOM 1112 CG2 ILE A 79 11.630 -4.603 -7.811 1.00 0.00 C ATOM 1113 CD1 ILE A 79 8.868 -3.948 -6.128 1.00 0.00 C ATOM 0 H ILE A 79 9.779 -4.911 -10.018 1.00 0.00 H new ATOM 0 HA ILE A 79 11.044 -7.147 -8.663 1.00 0.00 H new ATOM 0 HB ILE A 79 10.462 -5.925 -6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.285 -3.667 -8.201 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.267 -5.051 -7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.742 -3.861 -7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.494 -5.267 -7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.561 -4.099 -8.775 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.987 -3.307 -6.159 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.693 -4.772 -5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.727 -3.367 -5.791 1.00 0.00 H new ATOM 1125 N GLN A 80 8.140 -7.501 -9.465 1.00 0.00 N ATOM 1126 CA GLN A 80 6.894 -8.248 -9.344 1.00 0.00 C ATOM 1127 C GLN A 80 7.135 -9.608 -8.697 1.00 0.00 C ATOM 1128 O GLN A 80 7.419 -10.591 -9.381 1.00 0.00 O ATOM 1129 CB GLN A 80 6.249 -8.432 -10.719 1.00 0.00 C ATOM 1130 CG GLN A 80 5.546 -7.185 -11.232 1.00 0.00 C ATOM 1131 CD GLN A 80 4.370 -7.508 -12.133 1.00 0.00 C ATOM 1132 OE1 GLN A 80 3.759 -8.571 -12.019 1.00 0.00 O ATOM 1133 NE2 GLN A 80 4.045 -6.588 -13.035 1.00 0.00 N ATOM 0 H GLN A 80 8.354 -7.188 -10.412 1.00 0.00 H new ATOM 0 HA GLN A 80 6.219 -7.677 -8.707 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.016 -8.727 -11.435 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.530 -9.249 -10.668 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.198 -6.594 -10.385 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.260 -6.569 -11.779 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.579 -5.721 -13.094 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.261 -6.749 -13.668 1.00 0.00 H new ATOM 1142 N GLY A 81 7.020 -9.657 -7.373 1.00 0.00 N ATOM 1143 CA GLY A 81 7.229 -10.901 -6.656 1.00 0.00 C ATOM 1144 C GLY A 81 8.444 -10.852 -5.751 1.00 0.00 C ATOM 1145 O GLY A 81 8.526 -11.589 -4.769 1.00 0.00 O ATOM 0 H GLY A 81 6.786 -8.857 -6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.345 -11.126 -6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.346 -11.714 -7.372 1.00 0.00 H new ATOM 1149 N PHE A 82 9.391 -9.980 -6.081 1.00 0.00 N ATOM 1150 CA PHE A 82 10.609 -9.839 -5.292 1.00 0.00 C ATOM 1151 C PHE A 82 10.298 -9.879 -3.799 1.00 0.00 C ATOM 1152 O PHE A 82 9.284 -9.344 -3.351 1.00 0.00 O ATOM 1153 CB PHE A 82 11.320 -8.529 -5.642 1.00 0.00 C ATOM 1154 CG PHE A 82 12.285 -8.658 -6.785 1.00 0.00 C ATOM 1155 CD1 PHE A 82 11.927 -9.336 -7.939 1.00 0.00 C ATOM 1156 CD2 PHE A 82 13.551 -8.100 -6.705 1.00 0.00 C ATOM 1157 CE1 PHE A 82 12.814 -9.456 -8.992 1.00 0.00 C ATOM 1158 CE2 PHE A 82 14.442 -8.216 -7.756 1.00 0.00 C ATOM 1159 CZ PHE A 82 14.073 -8.896 -8.901 1.00 0.00 C ATOM 0 H PHE A 82 9.338 -9.360 -6.890 1.00 0.00 H new ATOM 0 HA PHE A 82 11.265 -10.676 -5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.573 -7.775 -5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.856 -8.170 -4.763 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.944 -9.776 -8.017 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.845 -7.569 -5.812 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.523 -9.988 -9.886 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.425 -7.776 -7.682 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.768 -8.989 -9.723 1.00 0.00 H new ATOM 1169 N ALA A 83 11.177 -10.517 -3.034 1.00 0.00 N ATOM 1170 CA ALA A 83 10.998 -10.626 -1.592 1.00 0.00 C ATOM 1171 C ALA A 83 11.289 -9.298 -0.900 1.00 0.00 C ATOM 1172 O ALA A 83 12.017 -8.459 -1.429 1.00 0.00 O ATOM 1173 CB ALA A 83 11.890 -11.723 -1.030 1.00 0.00 C ATOM 0 H ALA A 83 12.021 -10.967 -3.389 1.00 0.00 H new ATOM 0 HA ALA A 83 9.957 -10.886 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.746 -11.793 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.631 -12.675 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.933 -11.488 -1.242 1.00 0.00 H new ATOM 1179 N ASN A 84 10.715 -9.115 0.285 1.00 0.00 N ATOM 1180 CA ASN A 84 10.913 -7.888 1.048 1.00 0.00 C ATOM 1181 C ASN A 84 12.338 -7.368 0.882 1.00 0.00 C ATOM 1182 O ASN A 84 12.551 -6.241 0.433 1.00 0.00 O ATOM 1183 CB ASN A 84 10.616 -8.131 2.529 1.00 0.00 C ATOM 1184 CG ASN A 84 10.555 -6.841 3.325 1.00 0.00 C ATOM 1185 OD1 ASN A 84 11.282 -6.668 4.304 1.00 0.00 O ATOM 1186 ND2 ASN A 84 9.685 -5.929 2.908 1.00 0.00 N ATOM 0 H ASN A 84 10.110 -9.800 0.737 1.00 0.00 H new ATOM 0 HA ASN A 84 10.224 -7.136 0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.667 -8.659 2.625 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.385 -8.779 2.950 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.599 -5.042 3.404 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.103 -6.115 2.092 1.00 0.00 H new ATOM 1193 N HIS A 85 13.311 -8.197 1.247 1.00 0.00 N ATOM 1194 CA HIS A 85 14.716 -7.822 1.138 1.00 0.00 C ATOM 1195 C HIS A 85 15.117 -7.635 -0.323 1.00 0.00 C ATOM 1196 O HIS A 85 15.802 -6.674 -0.671 1.00 0.00 O ATOM 1197 CB HIS A 85 15.602 -8.884 1.790 1.00 0.00 C ATOM 1198 CG HIS A 85 15.207 -10.287 1.446 1.00 0.00 C ATOM 1199 ND1 HIS A 85 14.336 -11.033 2.211 1.00 0.00 N ATOM 1200 CD2 HIS A 85 15.568 -11.079 0.410 1.00 0.00 C ATOM 1201 CE1 HIS A 85 14.180 -12.224 1.662 1.00 0.00 C ATOM 1202 NE2 HIS A 85 14.917 -12.278 0.567 1.00 0.00 N ATOM 0 H HIS A 85 13.152 -9.133 1.621 1.00 0.00 H new ATOM 0 HA HIS A 85 14.855 -6.875 1.659 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.635 -8.721 1.484 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.567 -8.760 2.872 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.243 -10.817 -0.392 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.556 -13.019 2.043 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.991 -13.079 -0.060 1.00 0.00 H new ATOM 1211 N ASP A 86 14.685 -8.561 -1.172 1.00 0.00 N ATOM 1212 CA ASP A 86 14.998 -8.499 -2.595 1.00 0.00 C ATOM 1213 C ASP A 86 14.643 -7.131 -3.170 1.00 0.00 C ATOM 1214 O ASP A 86 15.252 -6.676 -4.138 1.00 0.00 O ATOM 1215 CB ASP A 86 14.248 -9.595 -3.353 1.00 0.00 C ATOM 1216 CG ASP A 86 14.999 -10.068 -4.582 1.00 0.00 C ATOM 1217 OD1 ASP A 86 15.804 -9.281 -5.124 1.00 0.00 O ATOM 1218 OD2 ASP A 86 14.782 -11.224 -5.003 1.00 0.00 O ATOM 0 H ASP A 86 14.117 -9.363 -0.900 1.00 0.00 H new ATOM 0 HA ASP A 86 16.070 -8.656 -2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 86 14.077 -10.441 -2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.268 -9.221 -3.651 1.00 0.00 H new ATOM 1223 N VAL A 87 13.652 -6.481 -2.569 1.00 0.00 N ATOM 1224 CA VAL A 87 13.215 -5.166 -3.021 1.00 0.00 C ATOM 1225 C VAL A 87 14.043 -4.060 -2.375 1.00 0.00 C ATOM 1226 O VAL A 87 14.379 -3.065 -3.018 1.00 0.00 O ATOM 1227 CB VAL A 87 11.726 -4.929 -2.704 1.00 0.00 C ATOM 1228 CG1 VAL A 87 11.303 -3.535 -3.139 1.00 0.00 C ATOM 1229 CG2 VAL A 87 10.865 -5.990 -3.373 1.00 0.00 C ATOM 0 H VAL A 87 13.136 -6.844 -1.767 1.00 0.00 H new ATOM 0 HA VAL A 87 13.357 -5.139 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 87 11.584 -5.005 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.248 -3.386 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.900 -2.792 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.457 -3.426 -4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.816 -5.808 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.009 -5.947 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.153 -6.976 -3.007 1.00 0.00 H new ATOM 1239 N VAL A 88 14.369 -4.240 -1.099 1.00 0.00 N ATOM 1240 CA VAL A 88 15.159 -3.258 -0.366 1.00 0.00 C ATOM 1241 C VAL A 88 16.495 -3.004 -1.054 1.00 0.00 C ATOM 1242 O VAL A 88 16.912 -1.858 -1.215 1.00 0.00 O ATOM 1243 CB VAL A 88 15.418 -3.715 1.082 1.00 0.00 C ATOM 1244 CG1 VAL A 88 16.337 -2.735 1.795 1.00 0.00 C ATOM 1245 CG2 VAL A 88 14.105 -3.871 1.834 1.00 0.00 C ATOM 0 H VAL A 88 14.098 -5.057 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 88 14.581 -2.334 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 88 15.913 -4.686 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.509 -3.074 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.289 -2.679 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.873 -1.749 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.307 -4.194 2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.581 -2.916 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.485 -4.615 1.334 1.00 0.00 H new ATOM 1255 N GLU A 89 17.161 -4.081 -1.458 1.00 0.00 N ATOM 1256 CA GLU A 89 18.451 -3.973 -2.129 1.00 0.00 C ATOM 1257 C GLU A 89 18.316 -3.226 -3.453 1.00 0.00 C ATOM 1258 O GLU A 89 19.182 -2.434 -3.823 1.00 0.00 O ATOM 1259 CB GLU A 89 19.042 -5.364 -2.373 1.00 0.00 C ATOM 1260 CG GLU A 89 18.276 -6.178 -3.403 1.00 0.00 C ATOM 1261 CD GLU A 89 18.771 -7.607 -3.502 1.00 0.00 C ATOM 1262 OE1 GLU A 89 19.160 -8.174 -2.459 1.00 0.00 O ATOM 1263 OE2 GLU A 89 18.771 -8.160 -4.622 1.00 0.00 O ATOM 0 H GLU A 89 16.829 -5.037 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 89 19.122 -3.409 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 89 20.076 -5.258 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 89 19.062 -5.912 -1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.217 -6.181 -3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.364 -5.699 -4.378 1.00 0.00 H new ATOM 1270 N VAL A 90 17.222 -3.485 -4.162 1.00 0.00 N ATOM 1271 CA VAL A 90 16.971 -2.838 -5.444 1.00 0.00 C ATOM 1272 C VAL A 90 16.908 -1.323 -5.292 1.00 0.00 C ATOM 1273 O VAL A 90 17.452 -0.582 -6.111 1.00 0.00 O ATOM 1274 CB VAL A 90 15.657 -3.335 -6.076 1.00 0.00 C ATOM 1275 CG1 VAL A 90 15.394 -2.620 -7.393 1.00 0.00 C ATOM 1276 CG2 VAL A 90 15.699 -4.842 -6.277 1.00 0.00 C ATOM 0 H VAL A 90 16.495 -4.139 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 90 17.802 -3.100 -6.099 1.00 0.00 H new ATOM 0 HB VAL A 90 14.837 -3.105 -5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.462 -2.984 -7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.317 -1.547 -7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 90 16.214 -2.816 -8.083 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.763 -5.176 -6.724 1.00 0.00 H new ATOM 0 HG22 VAL A 90 16.528 -5.098 -6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.837 -5.334 -5.314 1.00 0.00 H new ATOM 1286 N LEU A 91 16.240 -0.867 -4.237 1.00 0.00 N ATOM 1287 CA LEU A 91 16.106 0.562 -3.976 1.00 0.00 C ATOM 1288 C LEU A 91 17.469 1.203 -3.739 1.00 0.00 C ATOM 1289 O LEU A 91 17.777 2.256 -4.298 1.00 0.00 O ATOM 1290 CB LEU A 91 15.202 0.796 -2.764 1.00 0.00 C ATOM 1291 CG LEU A 91 13.811 0.166 -2.833 1.00 0.00 C ATOM 1292 CD1 LEU A 91 13.137 0.211 -1.470 1.00 0.00 C ATOM 1293 CD2 LEU A 91 12.957 0.872 -3.875 1.00 0.00 C ATOM 0 H LEU A 91 15.783 -1.466 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 91 15.655 1.026 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.709 0.413 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.086 1.871 -2.625 1.00 0.00 H new ATOM 0 HG LEU A 91 13.920 -0.878 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.148 -0.242 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.739 -0.340 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.040 1.247 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.970 0.410 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.856 1.924 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.432 0.788 -4.852 1.00 0.00 H new ATOM 1305 N ARG A 92 18.284 0.559 -2.910 1.00 0.00 N ATOM 1306 CA ARG A 92 19.616 1.066 -2.600 1.00 0.00 C ATOM 1307 C ARG A 92 20.446 1.225 -3.871 1.00 0.00 C ATOM 1308 O ARG A 92 21.173 2.204 -4.031 1.00 0.00 O ATOM 1309 CB ARG A 92 20.329 0.126 -1.627 1.00 0.00 C ATOM 1310 CG ARG A 92 19.553 -0.125 -0.344 1.00 0.00 C ATOM 1311 CD ARG A 92 20.387 -0.892 0.671 1.00 0.00 C ATOM 1312 NE ARG A 92 21.169 0.000 1.523 1.00 0.00 N ATOM 1313 CZ ARG A 92 20.667 0.642 2.572 1.00 0.00 C ATOM 1314 NH1 ARG A 92 19.390 0.491 2.896 1.00 0.00 N ATOM 1315 NH2 ARG A 92 21.442 1.436 3.299 1.00 0.00 N ATOM 0 H ARG A 92 18.046 -0.315 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 92 19.506 2.045 -2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.512 -0.827 -2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 92 21.303 0.547 -1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.240 0.827 0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.646 -0.686 -0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.731 -1.503 1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 92 21.058 -1.574 0.148 1.00 0.00 H new ATOM 0 HE ARG A 92 22.155 0.138 1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 92 18.791 -0.119 2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 92 19.006 0.985 3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 92 22.425 1.554 3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 92 21.055 1.928 4.104 1.00 0.00 H new ATOM 1329 N ASN A 93 20.332 0.254 -4.771 1.00 0.00 N ATOM 1330 CA ASN A 93 21.073 0.285 -6.027 1.00 0.00 C ATOM 1331 C ASN A 93 20.673 1.496 -6.864 1.00 0.00 C ATOM 1332 O ASN A 93 21.519 2.146 -7.477 1.00 0.00 O ATOM 1333 CB ASN A 93 20.828 -1.000 -6.820 1.00 0.00 C ATOM 1334 CG ASN A 93 21.751 -2.126 -6.395 1.00 0.00 C ATOM 1335 OD1 ASN A 93 22.885 -2.225 -6.865 1.00 0.00 O ATOM 1336 ND2 ASN A 93 21.268 -2.982 -5.503 1.00 0.00 N ATOM 0 H ASN A 93 19.734 -0.564 -4.654 1.00 0.00 H new ATOM 0 HA ASN A 93 22.135 0.362 -5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 93 19.792 -1.313 -6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 93 20.968 -0.800 -7.882 1.00 0.00 H new ATOM 0 HD21 ASN A 93 21.843 -3.760 -5.180 1.00 0.00 H new ATOM 0 HD22 ASN A 93 20.322 -2.861 -5.140 1.00 0.00 H new ATOM 1343 N ALA A 94 19.378 1.793 -6.884 1.00 0.00 N ATOM 1344 CA ALA A 94 18.866 2.927 -7.644 1.00 0.00 C ATOM 1345 C ALA A 94 19.619 4.206 -7.295 1.00 0.00 C ATOM 1346 O ALA A 94 20.085 4.377 -6.169 1.00 0.00 O ATOM 1347 CB ALA A 94 17.376 3.104 -7.389 1.00 0.00 C ATOM 0 H ALA A 94 18.664 1.264 -6.383 1.00 0.00 H new ATOM 0 HA ALA A 94 19.021 2.722 -8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.007 3.954 -7.963 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.845 2.202 -7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.207 3.282 -6.327 1.00 0.00 H new ATOM 1353 N GLY A 95 19.735 5.104 -8.269 1.00 0.00 N ATOM 1354 CA GLY A 95 20.434 6.356 -8.045 1.00 0.00 C ATOM 1355 C GLY A 95 19.496 7.547 -8.019 1.00 0.00 C ATOM 1356 O GLY A 95 18.322 7.412 -7.676 1.00 0.00 O ATOM 0 H GLY A 95 19.357 4.987 -9.209 1.00 0.00 H new ATOM 0 HA2 GLY A 95 20.975 6.303 -7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 95 21.177 6.499 -8.830 1.00 0.00 H new ATOM 1360 N GLN A 96 20.016 8.715 -8.380 1.00 0.00 N ATOM 1361 CA GLN A 96 19.217 9.935 -8.393 1.00 0.00 C ATOM 1362 C GLN A 96 17.882 9.703 -9.094 1.00 0.00 C ATOM 1363 O GLN A 96 16.819 9.837 -8.488 1.00 0.00 O ATOM 1364 CB GLN A 96 19.981 11.063 -9.087 1.00 0.00 C ATOM 1365 CG GLN A 96 19.552 12.452 -8.643 1.00 0.00 C ATOM 1366 CD GLN A 96 20.671 13.470 -8.746 1.00 0.00 C ATOM 1367 OE1 GLN A 96 21.286 13.628 -9.801 1.00 0.00 O ATOM 1368 NE2 GLN A 96 20.941 14.167 -7.649 1.00 0.00 N ATOM 0 H GLN A 96 20.986 8.843 -8.667 1.00 0.00 H new ATOM 0 HA GLN A 96 19.020 10.221 -7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 96 21.047 10.942 -8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.841 10.976 -10.164 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.710 12.780 -9.253 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.201 12.407 -7.612 1.00 0.00 H new ATOM 0 HE21 GLN A 96 20.406 14.003 -6.796 1.00 0.00 H new ATOM 0 HE22 GLN A 96 21.684 14.866 -7.659 1.00 0.00 H new ATOM 1377 N VAL A 97 17.945 9.355 -10.376 1.00 0.00 N ATOM 1378 CA VAL A 97 16.741 9.104 -11.159 1.00 0.00 C ATOM 1379 C VAL A 97 16.124 7.756 -10.802 1.00 0.00 C ATOM 1380 O VAL A 97 16.623 6.706 -11.208 1.00 0.00 O ATOM 1381 CB VAL A 97 17.038 9.136 -12.670 1.00 0.00 C ATOM 1382 CG1 VAL A 97 15.791 8.786 -13.467 1.00 0.00 C ATOM 1383 CG2 VAL A 97 17.577 10.499 -13.078 1.00 0.00 C ATOM 0 H VAL A 97 18.816 9.241 -10.894 1.00 0.00 H new ATOM 0 HA VAL A 97 16.035 9.899 -10.918 1.00 0.00 H new ATOM 0 HB VAL A 97 17.801 8.389 -12.889 1.00 0.00 H new ATOM 0 HG11 VAL A 97 16.020 8.814 -14.532 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.454 7.786 -13.194 1.00 0.00 H new ATOM 0 HG13 VAL A 97 15.004 9.507 -13.246 1.00 0.00 H new ATOM 0 HG21 VAL A 97 17.781 10.504 -14.149 1.00 0.00 H new ATOM 0 HG22 VAL A 97 16.839 11.267 -12.846 1.00 0.00 H new ATOM 0 HG23 VAL A 97 18.498 10.705 -12.532 1.00 0.00 H new ATOM 1393 N VAL A 98 15.035 7.793 -10.041 1.00 0.00 N ATOM 1394 CA VAL A 98 14.348 6.574 -9.630 1.00 0.00 C ATOM 1395 C VAL A 98 12.904 6.567 -10.118 1.00 0.00 C ATOM 1396 O VAL A 98 12.052 7.274 -9.580 1.00 0.00 O ATOM 1397 CB VAL A 98 14.362 6.411 -8.098 1.00 0.00 C ATOM 1398 CG1 VAL A 98 13.537 5.203 -7.682 1.00 0.00 C ATOM 1399 CG2 VAL A 98 15.791 6.292 -7.589 1.00 0.00 C ATOM 0 H VAL A 98 14.609 8.654 -9.697 1.00 0.00 H new ATOM 0 HA VAL A 98 14.885 5.740 -10.081 1.00 0.00 H new ATOM 0 HB VAL A 98 13.913 7.298 -7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.559 5.104 -6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.507 5.334 -8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.953 4.304 -8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 98 15.783 6.178 -6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 98 16.267 5.423 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.348 7.191 -7.855 1.00 0.00 H new ATOM 1409 N HIS A 99 12.635 5.761 -11.140 1.00 0.00 N ATOM 1410 CA HIS A 99 11.292 5.660 -11.701 1.00 0.00 C ATOM 1411 C HIS A 99 10.513 4.523 -11.045 1.00 0.00 C ATOM 1412 O HIS A 99 10.656 3.360 -11.424 1.00 0.00 O ATOM 1413 CB HIS A 99 11.362 5.440 -13.212 1.00 0.00 C ATOM 1414 CG HIS A 99 11.599 6.698 -13.990 1.00 0.00 C ATOM 1415 ND1 HIS A 99 12.711 6.896 -14.780 1.00 0.00 N ATOM 1416 CD2 HIS A 99 10.857 7.825 -14.097 1.00 0.00 C ATOM 1417 CE1 HIS A 99 12.645 8.091 -15.339 1.00 0.00 C ATOM 1418 NE2 HIS A 99 11.529 8.675 -14.941 1.00 0.00 N ATOM 0 H HIS A 99 13.329 5.169 -11.597 1.00 0.00 H new ATOM 0 HA HIS A 99 10.771 6.596 -11.502 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.161 4.731 -13.431 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.430 4.985 -13.548 1.00 0.00 H new ATOM 0 HD1 HIS A 99 13.467 6.224 -14.912 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.913 8.019 -13.610 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.378 8.518 -16.007 1.00 0.00 H new ATOM 1427 N LEU A 100 9.691 4.867 -10.060 1.00 0.00 N ATOM 1428 CA LEU A 100 8.890 3.875 -9.351 1.00 0.00 C ATOM 1429 C LEU A 100 7.615 3.552 -10.122 1.00 0.00 C ATOM 1430 O LEU A 100 6.711 4.381 -10.225 1.00 0.00 O ATOM 1431 CB LEU A 100 8.538 4.381 -7.951 1.00 0.00 C ATOM 1432 CG LEU A 100 8.483 3.323 -6.848 1.00 0.00 C ATOM 1433 CD1 LEU A 100 8.115 1.966 -7.429 1.00 0.00 C ATOM 1434 CD2 LEU A 100 9.814 3.248 -6.114 1.00 0.00 C ATOM 0 H LEU A 100 9.562 5.825 -9.734 1.00 0.00 H new ATOM 0 HA LEU A 100 9.481 2.963 -9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.269 5.137 -7.665 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.569 4.877 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 100 7.712 3.610 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 100 8.081 1.225 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.138 2.028 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.862 1.671 -8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.756 2.490 -5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.603 2.984 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.037 4.216 -5.665 1.00 0.00 H new ATOM 1446 N THR A 101 7.548 2.339 -10.663 1.00 0.00 N ATOM 1447 CA THR A 101 6.383 1.905 -11.425 1.00 0.00 C ATOM 1448 C THR A 101 5.267 1.434 -10.501 1.00 0.00 C ATOM 1449 O THR A 101 5.323 0.332 -9.953 1.00 0.00 O ATOM 1450 CB THR A 101 6.742 0.768 -12.400 1.00 0.00 C ATOM 1451 OG1 THR A 101 7.909 1.118 -13.153 1.00 0.00 O ATOM 1452 CG2 THR A 101 5.587 0.485 -13.349 1.00 0.00 C ATOM 0 H THR A 101 8.287 1.640 -10.587 1.00 0.00 H new ATOM 0 HA THR A 101 6.038 2.767 -11.996 1.00 0.00 H new ATOM 0 HB THR A 101 6.942 -0.131 -11.817 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.709 0.949 -12.613 1.00 0.00 H new ATOM 0 HG21 THR A 101 5.863 -0.321 -14.028 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.708 0.191 -12.775 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.361 1.383 -13.925 1.00 0.00 H new ATOM 1460 N LEU A 102 4.252 2.274 -10.331 1.00 0.00 N ATOM 1461 CA LEU A 102 3.120 1.942 -9.473 1.00 0.00 C ATOM 1462 C LEU A 102 1.815 1.951 -10.264 1.00 0.00 C ATOM 1463 O LEU A 102 1.720 2.581 -11.317 1.00 0.00 O ATOM 1464 CB LEU A 102 3.030 2.931 -8.309 1.00 0.00 C ATOM 1465 CG LEU A 102 4.362 3.395 -7.718 1.00 0.00 C ATOM 1466 CD1 LEU A 102 4.251 4.824 -7.210 1.00 0.00 C ATOM 1467 CD2 LEU A 102 4.804 2.463 -6.600 1.00 0.00 C ATOM 0 H LEU A 102 4.190 3.190 -10.776 1.00 0.00 H new ATOM 0 HA LEU A 102 3.277 0.938 -9.078 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.479 3.809 -8.646 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.442 2.473 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 102 5.115 3.368 -8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.208 5.137 -6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.981 5.483 -8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.484 4.877 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 102 5.754 2.809 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.051 2.457 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.925 1.454 -6.994 1.00 0.00 H new ATOM 1479 N VAL A 103 0.811 1.249 -9.747 1.00 0.00 N ATOM 1480 CA VAL A 103 -0.489 1.179 -10.403 1.00 0.00 C ATOM 1481 C VAL A 103 -1.622 1.342 -9.397 1.00 0.00 C ATOM 1482 O VAL A 103 -1.831 0.486 -8.537 1.00 0.00 O ATOM 1483 CB VAL A 103 -0.669 -0.156 -11.150 1.00 0.00 C ATOM 1484 CG1 VAL A 103 -0.356 -1.328 -10.232 1.00 0.00 C ATOM 1485 CG2 VAL A 103 -2.080 -0.267 -11.709 1.00 0.00 C ATOM 0 H VAL A 103 0.873 0.721 -8.876 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.525 1.997 -11.122 1.00 0.00 H new ATOM 0 HB VAL A 103 0.031 -0.183 -11.985 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.489 -2.263 -10.777 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.675 -1.253 -9.885 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.029 -1.309 -9.375 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.190 -1.216 -12.234 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.800 -0.219 -10.892 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.262 0.554 -12.402 1.00 0.00 H new ATOM 1495 N ARG A 104 -2.351 2.448 -9.509 1.00 0.00 N ATOM 1496 CA ARG A 104 -3.463 2.724 -8.608 1.00 0.00 C ATOM 1497 C ARG A 104 -4.800 2.513 -9.314 1.00 0.00 C ATOM 1498 O ARG A 104 -4.889 2.612 -10.538 1.00 0.00 O ATOM 1499 CB ARG A 104 -3.374 4.157 -8.078 1.00 0.00 C ATOM 1500 CG ARG A 104 -3.562 5.216 -9.152 1.00 0.00 C ATOM 1501 CD ARG A 104 -3.352 6.616 -8.597 1.00 0.00 C ATOM 1502 NE ARG A 104 -4.557 7.136 -7.955 1.00 0.00 N ATOM 1503 CZ ARG A 104 -4.883 6.887 -6.692 1.00 0.00 C ATOM 1504 NH1 ARG A 104 -4.098 6.130 -5.938 1.00 0.00 N ATOM 1505 NH2 ARG A 104 -5.996 7.397 -6.180 1.00 0.00 N ATOM 0 H ARG A 104 -2.191 3.167 -10.215 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.401 2.029 -7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.130 4.297 -7.305 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -2.403 4.301 -7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -2.861 5.038 -9.967 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -4.565 5.136 -9.571 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -2.535 6.601 -7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.054 7.285 -9.404 1.00 0.00 H new ATOM 0 HE ARG A 104 -5.182 7.723 -8.507 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.241 5.737 -6.328 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -4.351 5.940 -4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.602 7.981 -6.757 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.246 7.205 -5.210 1.00 0.00 H new ATOM 1519 N ARG A 105 -5.836 2.222 -8.533 1.00 0.00 N ATOM 1520 CA ARG A 105 -7.167 1.996 -9.083 1.00 0.00 C ATOM 1521 C ARG A 105 -7.768 3.298 -9.605 1.00 0.00 C ATOM 1522 O ARG A 105 -7.968 4.249 -8.849 1.00 0.00 O ATOM 1523 CB ARG A 105 -8.084 1.388 -8.021 1.00 0.00 C ATOM 1524 CG ARG A 105 -9.109 0.417 -8.585 1.00 0.00 C ATOM 1525 CD ARG A 105 -10.420 0.484 -7.817 1.00 0.00 C ATOM 1526 NE ARG A 105 -10.449 -0.457 -6.701 1.00 0.00 N ATOM 1527 CZ ARG A 105 -11.469 -0.563 -5.856 1.00 0.00 C ATOM 1528 NH1 ARG A 105 -12.537 0.209 -6.000 1.00 0.00 N ATOM 1529 NH2 ARG A 105 -11.421 -1.444 -4.864 1.00 0.00 N ATOM 0 H ARG A 105 -5.779 2.137 -7.518 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.075 1.299 -9.916 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.475 0.870 -7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -8.605 2.191 -7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -9.289 0.646 -9.635 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.713 -0.598 -8.543 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.569 1.496 -7.441 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.248 0.270 -8.493 1.00 0.00 H new ATOM 0 HE ARG A 105 -9.643 -1.066 -6.562 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.577 0.887 -6.761 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.318 0.125 -5.350 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -10.601 -2.040 -4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -12.204 -1.525 -4.216 1.00 0.00 H new ATOM 1543 N LYS A 106 -8.054 3.333 -10.902 1.00 0.00 N ATOM 1544 CA LYS A 106 -8.634 4.517 -11.526 1.00 0.00 C ATOM 1545 C LYS A 106 -9.922 4.928 -10.821 1.00 0.00 C ATOM 1546 O LYS A 106 -10.521 4.140 -10.088 1.00 0.00 O ATOM 1547 CB LYS A 106 -8.912 4.253 -13.007 1.00 0.00 C ATOM 1548 CG LYS A 106 -7.675 3.868 -13.800 1.00 0.00 C ATOM 1549 CD LYS A 106 -8.031 3.032 -15.018 1.00 0.00 C ATOM 1550 CE LYS A 106 -7.036 3.243 -16.149 1.00 0.00 C ATOM 1551 NZ LYS A 106 -7.658 3.022 -17.483 1.00 0.00 N ATOM 0 H LYS A 106 -7.894 2.555 -11.542 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.916 5.333 -11.437 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.651 3.456 -13.093 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.354 5.146 -13.450 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.150 4.769 -14.117 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -6.992 3.309 -13.161 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.053 1.977 -14.743 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.033 3.293 -15.360 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.637 4.256 -16.098 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.194 2.562 -16.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.948 3.175 -18.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.016 2.047 -17.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.446 3.689 -17.614 1.00 0.00 H new