USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 603 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 Set 1.1: A 31 LYS NZ :NH3+ -140:sc= -0.967 (180deg=-2.91!) USER MOD Set 1.2: A 47 HIS : no HE2:sc= -0.302 K(o=-1.3,f=-6.4!) USER MOD Set 2.1: A 21 CYS SG : rot 180:sc= -0.171 USER MOD Set 2.2: A 23 HIS : no HD1:sc= -2.74 K(o=-3.1,f=-7.3!) USER MOD Set 2.3: A 48 TYR OH : rot 177:sc= -0.15 USER MOD Set 3.1: A 11 THR OG1 : rot 91:sc= 0.411 USER MOD Set 3.2: A 35 THR OG1 : rot 76:sc= 1.68 USER MOD Single : A 10 ASN : amide:sc= 0.1 K(o=0.1,f=-2!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= -0.0777 (180deg=-0.513) USER MOD Single : A 36 LYS NZ :NH3+ 150:sc= 0.603 (180deg=0.219) USER MOD Single : A 40 THR OG1 : rot 48:sc= 1.23 USER MOD Single : A 44 TYR OH : rot 110:sc= -0.545 USER MOD Single : A 45 TYR OH : rot 62:sc= -0.0927 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.43 K(o=-2.4,f=-6.4!) USER MOD Single : A 62 ASN : amide:sc= -0.0044 X(o=-0.0044,f=-0.049) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.621 K(o=-0.62,f=-1.5) USER MOD Single : A 71 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.38) USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -0.0453 (180deg=-0.543) USER MOD Single : A 76 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.46) USER MOD Single : A 81 GLN : amide:sc= -0.0252 K(o=-0.025,f=-2.6!) USER MOD Single : A 82 CYS SG : rot 79:sc= 0.736 USER MOD ----------------------------------------------------------------- ATOM 113 N ALA A 9 -10.968 -13.473 4.818 1.00 1.00 N ATOM 114 CA ALA A 9 -10.417 -12.115 4.872 1.00 1.00 C ATOM 115 C ALA A 9 -11.529 -11.072 4.692 1.00 1.00 C ATOM 116 O ALA A 9 -11.739 -10.563 3.592 1.00 1.00 O ATOM 117 CB ALA A 9 -9.353 -11.953 3.768 1.00 1.00 C ATOM 0 HA ALA A 9 -9.957 -11.956 5.848 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -8.941 -10.945 3.805 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -8.554 -12.677 3.924 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -9.811 -12.122 2.794 1.00 1.00 H new ATOM 123 N ASN A 10 -12.227 -10.750 5.775 1.00 1.00 N ATOM 124 CA ASN A 10 -13.318 -9.763 5.737 1.00 1.00 C ATOM 125 C ASN A 10 -12.768 -8.379 5.393 1.00 1.00 C ATOM 126 O ASN A 10 -13.492 -7.504 4.919 1.00 1.00 O ATOM 127 CB ASN A 10 -14.042 -9.735 7.101 1.00 1.00 C ATOM 128 CG ASN A 10 -13.057 -9.406 8.224 1.00 1.00 C ATOM 129 OD1 ASN A 10 -12.294 -10.271 8.654 1.00 1.00 O ATOM 130 ND2 ASN A 10 -13.032 -8.202 8.727 1.00 1.00 N ATOM 0 H ASN A 10 -12.062 -11.155 6.696 1.00 1.00 H new ATOM 0 HA ASN A 10 -14.032 -10.049 4.965 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -14.840 -8.993 7.080 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -14.510 -10.701 7.291 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -12.379 -7.976 9.478 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -13.665 -7.487 8.369 1.00 1.00 H new ATOM 137 N THR A 11 -11.473 -8.186 5.620 1.00 1.00 N ATOM 138 CA THR A 11 -10.818 -6.909 5.328 1.00 1.00 C ATOM 139 C THR A 11 -10.845 -6.632 3.817 1.00 1.00 C ATOM 140 O THR A 11 -10.750 -7.550 3.001 1.00 1.00 O ATOM 141 CB THR A 11 -9.361 -6.947 5.844 1.00 1.00 C ATOM 142 OG1 THR A 11 -8.690 -8.066 5.273 1.00 1.00 O ATOM 143 CG2 THR A 11 -9.336 -7.067 7.382 1.00 1.00 C ATOM 0 H THR A 11 -10.852 -8.897 6.006 1.00 1.00 H new ATOM 0 HA THR A 11 -11.354 -6.105 5.833 1.00 1.00 H new ATOM 0 HB THR A 11 -8.860 -6.023 5.555 1.00 1.00 H new ATOM 0 HG1 THR A 11 -8.264 -7.798 4.432 1.00 1.00 H new ATOM 0 HG21 THR A 11 -8.303 -7.092 7.728 1.00 1.00 H new ATOM 0 HG22 THR A 11 -9.845 -6.210 7.822 1.00 1.00 H new ATOM 0 HG23 THR A 11 -9.842 -7.984 7.684 1.00 1.00 H new ATOM 151 N LEU A 12 -10.974 -5.362 3.450 1.00 1.00 N ATOM 152 CA LEU A 12 -11.016 -4.958 2.036 1.00 1.00 C ATOM 153 C LEU A 12 -9.693 -5.297 1.337 1.00 1.00 C ATOM 154 O LEU A 12 -9.629 -5.396 0.113 1.00 1.00 O ATOM 155 CB LEU A 12 -11.329 -3.424 1.928 1.00 1.00 C ATOM 156 CG LEU A 12 -11.893 -3.029 0.498 1.00 1.00 C ATOM 157 CD1 LEU A 12 -13.423 -3.270 0.410 1.00 1.00 C ATOM 158 CD2 LEU A 12 -11.605 -1.536 0.193 1.00 1.00 C ATOM 0 H LEU A 12 -11.052 -4.587 4.109 1.00 1.00 H new ATOM 0 HA LEU A 12 -11.810 -5.511 1.535 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -12.055 -3.148 2.693 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -10.422 -2.854 2.129 1.00 1.00 H new ATOM 0 HG LEU A 12 -11.390 -3.660 -0.234 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -13.779 -2.990 -0.581 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -13.636 -4.324 0.588 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -13.930 -2.666 1.162 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -11.999 -1.283 -0.791 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -12.084 -0.912 0.947 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -10.529 -1.362 0.209 1.00 1.00 H new ATOM 170 N PHE A 13 -8.629 -5.458 2.117 1.00 1.00 N ATOM 171 CA PHE A 13 -7.283 -5.780 1.593 1.00 1.00 C ATOM 172 C PHE A 13 -7.010 -7.296 1.660 1.00 1.00 C ATOM 173 O PHE A 13 -7.180 -7.932 2.700 1.00 1.00 O ATOM 174 CB PHE A 13 -6.235 -5.021 2.431 1.00 1.00 C ATOM 175 CG PHE A 13 -6.525 -3.515 2.341 1.00 1.00 C ATOM 176 CD1 PHE A 13 -5.977 -2.749 1.292 1.00 1.00 C ATOM 177 CD2 PHE A 13 -7.362 -2.892 3.289 1.00 1.00 C ATOM 178 CE1 PHE A 13 -6.258 -1.380 1.201 1.00 1.00 C ATOM 179 CE2 PHE A 13 -7.641 -1.522 3.188 1.00 1.00 C ATOM 180 CZ PHE A 13 -7.089 -0.768 2.146 1.00 1.00 C ATOM 0 H PHE A 13 -8.663 -5.371 3.133 1.00 1.00 H new ATOM 0 HA PHE A 13 -7.224 -5.476 0.548 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.271 -5.351 3.469 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -5.231 -5.235 2.064 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -5.340 -3.219 0.557 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -7.789 -3.471 4.094 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -5.832 -0.795 0.399 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -8.283 -1.047 3.915 1.00 1.00 H new ATOM 0 HZ PHE A 13 -7.305 0.288 2.071 1.00 1.00 H new ATOM 190 N VAL A 14 -6.574 -7.856 0.537 1.00 1.00 N ATOM 191 CA VAL A 14 -6.268 -9.308 0.421 1.00 1.00 C ATOM 192 C VAL A 14 -4.782 -9.517 0.092 1.00 1.00 C ATOM 193 O VAL A 14 -4.175 -8.734 -0.639 1.00 1.00 O ATOM 194 CB VAL A 14 -7.160 -9.932 -0.688 1.00 1.00 C ATOM 195 CG1 VAL A 14 -6.949 -11.469 -0.765 1.00 1.00 C ATOM 196 CG2 VAL A 14 -8.649 -9.633 -0.382 1.00 1.00 C ATOM 0 H VAL A 14 -6.418 -7.333 -0.325 1.00 1.00 H new ATOM 0 HA VAL A 14 -6.478 -9.798 1.372 1.00 1.00 H new ATOM 0 HB VAL A 14 -6.881 -9.493 -1.646 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -7.583 -11.885 -1.548 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -5.905 -11.682 -0.993 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -7.211 -11.921 0.192 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -9.275 -10.070 -1.160 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -8.916 -10.063 0.583 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -8.805 -8.555 -0.354 1.00 1.00 H new ATOM 206 N ASP A 15 -4.206 -10.583 0.638 1.00 1.00 N ATOM 207 CA ASP A 15 -2.793 -10.908 0.416 1.00 1.00 C ATOM 208 C ASP A 15 -2.497 -11.135 -1.078 1.00 1.00 C ATOM 209 O ASP A 15 -3.253 -11.781 -1.803 1.00 1.00 O ATOM 210 CB ASP A 15 -2.430 -12.181 1.216 1.00 1.00 C ATOM 211 CG ASP A 15 -0.939 -12.540 1.083 1.00 1.00 C ATOM 212 OD1 ASP A 15 -0.231 -11.864 0.354 1.00 1.00 O ATOM 213 OD2 ASP A 15 -0.528 -13.500 1.713 1.00 1.00 O ATOM 0 H ASP A 15 -4.696 -11.243 1.242 1.00 1.00 H new ATOM 0 HA ASP A 15 -2.190 -10.066 0.755 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -2.674 -12.030 2.268 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -3.037 -13.016 0.864 1.00 1.00 H new ATOM 218 N GLY A 16 -1.365 -10.612 -1.537 1.00 1.00 N ATOM 219 CA GLY A 16 -0.940 -10.756 -2.939 1.00 1.00 C ATOM 220 C GLY A 16 -1.537 -9.652 -3.805 1.00 1.00 C ATOM 221 O GLY A 16 -1.282 -9.604 -5.008 1.00 1.00 O ATOM 0 H GLY A 16 -0.715 -10.079 -0.959 1.00 1.00 H new ATOM 0 HA2 GLY A 16 0.148 -10.722 -2.999 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -1.250 -11.729 -3.319 1.00 1.00 H new ATOM 225 N GLU A 17 -2.302 -8.759 -3.187 1.00 1.00 N ATOM 226 CA GLU A 17 -2.944 -7.638 -3.897 1.00 1.00 C ATOM 227 C GLU A 17 -1.978 -6.455 -4.025 1.00 1.00 C ATOM 228 O GLU A 17 -1.329 -6.057 -3.058 1.00 1.00 O ATOM 229 CB GLU A 17 -4.212 -7.198 -3.121 1.00 1.00 C ATOM 230 CG GLU A 17 -5.009 -6.125 -3.909 1.00 1.00 C ATOM 231 CD GLU A 17 -6.297 -5.737 -3.170 1.00 1.00 C ATOM 232 OE1 GLU A 17 -6.423 -6.066 -2.000 1.00 1.00 O ATOM 233 OE2 GLU A 17 -7.140 -5.112 -3.792 1.00 1.00 O ATOM 0 H GLU A 17 -2.499 -8.783 -2.187 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.220 -7.967 -4.899 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -4.848 -8.064 -2.937 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -3.926 -6.800 -2.148 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -4.389 -5.240 -4.053 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -5.256 -6.506 -4.900 1.00 1.00 H new ATOM 240 N ARG A 18 -1.893 -5.888 -5.224 1.00 1.00 N ATOM 241 CA ARG A 18 -1.017 -4.738 -5.480 1.00 1.00 C ATOM 242 C ARG A 18 -1.697 -3.460 -4.972 1.00 1.00 C ATOM 243 O ARG A 18 -2.838 -3.167 -5.326 1.00 1.00 O ATOM 244 CB ARG A 18 -0.736 -4.637 -6.999 1.00 1.00 C ATOM 245 CG ARG A 18 0.276 -3.501 -7.308 1.00 1.00 C ATOM 246 CD ARG A 18 0.633 -3.496 -8.811 1.00 1.00 C ATOM 247 NE ARG A 18 1.324 -4.744 -9.164 1.00 1.00 N ATOM 248 CZ ARG A 18 1.720 -5.012 -10.414 1.00 1.00 C ATOM 249 NH1 ARG A 18 1.505 -4.159 -11.379 1.00 1.00 N ATOM 250 NH2 ARG A 18 2.332 -6.137 -10.670 1.00 1.00 N ATOM 0 H ARG A 18 -2.419 -6.203 -6.039 1.00 1.00 H new ATOM 0 HA ARG A 18 -0.070 -4.865 -4.955 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -0.343 -5.586 -7.363 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -1.668 -4.452 -7.533 1.00 1.00 H new ATOM 0 HG2 ARG A 18 -0.150 -2.538 -7.025 1.00 1.00 H new ATOM 0 HG3 ARG A 18 1.179 -3.637 -6.713 1.00 1.00 H new ATOM 0 HD2 ARG A 18 -0.272 -3.390 -9.409 1.00 1.00 H new ATOM 0 HD3 ARG A 18 1.269 -2.641 -9.040 1.00 1.00 H new ATOM 0 HE ARG A 18 1.508 -5.429 -8.431 1.00 1.00 H new ATOM 0 HH11 ARG A 18 1.031 -3.277 -11.184 1.00 1.00 H new ATOM 0 HH12 ARG A 18 1.811 -4.374 -12.328 1.00 1.00 H new ATOM 0 HH21 ARG A 18 2.506 -6.805 -9.919 1.00 1.00 H new ATOM 0 HH22 ARG A 18 2.636 -6.347 -11.621 1.00 1.00 H new ATOM 264 N VAL A 19 -1.001 -2.687 -4.143 1.00 1.00 N ATOM 265 CA VAL A 19 -1.538 -1.425 -3.573 1.00 1.00 C ATOM 266 C VAL A 19 -0.506 -0.310 -3.675 1.00 1.00 C ATOM 267 O VAL A 19 0.652 -0.524 -4.034 1.00 1.00 O ATOM 268 CB VAL A 19 -1.954 -1.634 -2.085 1.00 1.00 C ATOM 269 CG1 VAL A 19 -3.045 -2.727 -2.003 1.00 1.00 C ATOM 270 CG2 VAL A 19 -0.730 -2.048 -1.222 1.00 1.00 C ATOM 0 H VAL A 19 -0.052 -2.904 -3.840 1.00 1.00 H new ATOM 0 HA VAL A 19 -2.419 -1.138 -4.147 1.00 1.00 H new ATOM 0 HB VAL A 19 -2.345 -0.693 -1.697 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -3.336 -2.873 -0.963 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -3.914 -2.417 -2.583 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -2.655 -3.662 -2.405 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -1.045 -2.188 -0.188 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -0.314 -2.980 -1.604 1.00 1.00 H new ATOM 0 HG23 VAL A 19 0.028 -1.266 -1.268 1.00 1.00 H new ATOM 280 N LEU A 20 -0.939 0.902 -3.345 1.00 1.00 N ATOM 281 CA LEU A 20 -0.061 2.092 -3.389 1.00 1.00 C ATOM 282 C LEU A 20 0.192 2.622 -1.966 1.00 1.00 C ATOM 283 O LEU A 20 -0.705 2.675 -1.125 1.00 1.00 O ATOM 284 CB LEU A 20 -0.727 3.174 -4.266 1.00 1.00 C ATOM 285 CG LEU A 20 -1.064 2.616 -5.689 1.00 1.00 C ATOM 286 CD1 LEU A 20 -1.790 3.709 -6.504 1.00 1.00 C ATOM 287 CD2 LEU A 20 0.219 2.147 -6.446 1.00 1.00 C ATOM 0 H LEU A 20 -1.893 1.098 -3.042 1.00 1.00 H new ATOM 0 HA LEU A 20 0.903 1.822 -3.821 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.639 3.526 -3.785 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.062 4.033 -4.357 1.00 1.00 H new ATOM 0 HG LEU A 20 -1.710 1.746 -5.571 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -2.027 3.326 -7.496 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.711 3.991 -5.994 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.145 4.582 -6.597 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -0.057 1.767 -7.429 1.00 1.00 H new ATOM 0 HD22 LEU A 20 0.902 2.989 -6.561 1.00 1.00 H new ATOM 0 HD23 LEU A 20 0.710 1.358 -5.876 1.00 1.00 H new ATOM 299 N CYS A 21 1.431 3.033 -1.711 1.00 1.00 N ATOM 300 CA CYS A 21 1.836 3.568 -0.382 1.00 1.00 C ATOM 301 C CYS A 21 2.349 4.999 -0.519 1.00 1.00 C ATOM 302 O CYS A 21 3.411 5.242 -1.092 1.00 1.00 O ATOM 303 CB CYS A 21 2.950 2.680 0.203 1.00 1.00 C ATOM 304 SG CYS A 21 3.392 3.262 1.864 1.00 1.00 S ATOM 0 H CYS A 21 2.185 3.012 -2.398 1.00 1.00 H new ATOM 0 HA CYS A 21 0.970 3.566 0.280 1.00 1.00 H new ATOM 0 HB2 CYS A 21 2.615 1.644 0.248 1.00 1.00 H new ATOM 0 HB3 CYS A 21 3.826 2.705 -0.446 1.00 1.00 H new ATOM 0 HG CYS A 21 4.331 2.508 2.353 1.00 1.00 H new ATOM 310 N PHE A 22 1.591 5.954 0.008 1.00 1.00 N ATOM 311 CA PHE A 22 1.968 7.378 -0.044 1.00 1.00 C ATOM 312 C PHE A 22 2.584 7.806 1.282 1.00 1.00 C ATOM 313 O PHE A 22 2.670 7.030 2.232 1.00 1.00 O ATOM 314 CB PHE A 22 0.731 8.243 -0.370 1.00 1.00 C ATOM 315 CG PHE A 22 -0.311 8.160 0.757 1.00 1.00 C ATOM 316 CD1 PHE A 22 -1.305 7.162 0.743 1.00 1.00 C ATOM 317 CD2 PHE A 22 -0.278 9.090 1.820 1.00 1.00 C ATOM 318 CE1 PHE A 22 -2.250 7.098 1.773 1.00 1.00 C ATOM 319 CE2 PHE A 22 -1.228 9.019 2.846 1.00 1.00 C ATOM 320 CZ PHE A 22 -2.212 8.025 2.822 1.00 1.00 C ATOM 0 H PHE A 22 0.705 5.775 0.481 1.00 1.00 H new ATOM 0 HA PHE A 22 2.708 7.520 -0.832 1.00 1.00 H new ATOM 0 HB2 PHE A 22 1.035 9.280 -0.513 1.00 1.00 H new ATOM 0 HB3 PHE A 22 0.286 7.909 -1.307 1.00 1.00 H new ATOM 0 HD1 PHE A 22 -1.338 6.445 -0.064 1.00 1.00 H new ATOM 0 HD2 PHE A 22 0.482 9.857 1.841 1.00 1.00 H new ATOM 0 HE1 PHE A 22 -3.011 6.332 1.759 1.00 1.00 H new ATOM 0 HE2 PHE A 22 -1.201 9.732 3.657 1.00 1.00 H new ATOM 0 HZ PHE A 22 -2.944 7.972 3.614 1.00 1.00 H new ATOM 330 N HIS A 23 3.031 9.056 1.352 1.00 1.00 N ATOM 331 CA HIS A 23 3.653 9.601 2.572 1.00 1.00 C ATOM 332 C HIS A 23 3.344 11.089 2.703 1.00 1.00 C ATOM 333 O HIS A 23 3.216 11.600 3.816 1.00 1.00 O ATOM 334 CB HIS A 23 5.179 9.374 2.522 1.00 1.00 C ATOM 335 CG HIS A 23 5.471 7.899 2.393 1.00 1.00 C ATOM 336 ND1 HIS A 23 4.997 6.972 3.308 1.00 1.00 N ATOM 337 CD2 HIS A 23 6.186 7.179 1.467 1.00 1.00 C ATOM 338 CE1 HIS A 23 5.426 5.757 2.914 1.00 1.00 C ATOM 339 NE2 HIS A 23 6.156 5.828 1.798 1.00 1.00 N ATOM 0 H HIS A 23 2.977 9.719 0.579 1.00 1.00 H new ATOM 0 HA HIS A 23 3.244 9.086 3.441 1.00 1.00 H new ATOM 0 HB2 HIS A 23 5.609 9.915 1.679 1.00 1.00 H new ATOM 0 HB3 HIS A 23 5.645 9.769 3.425 1.00 1.00 H new ATOM 0 HD2 HIS A 23 6.695 7.598 0.611 1.00 1.00 H new ATOM 0 HE1 HIS A 23 5.206 4.838 3.437 1.00 1.00 H new ATOM 0 HE2 HIS A 23 6.597 5.057 1.296 1.00 1.00 H new ATOM 348 N GLY A 24 3.225 11.784 1.576 1.00 1.00 N ATOM 349 CA GLY A 24 2.935 13.225 1.558 1.00 1.00 C ATOM 350 C GLY A 24 3.437 13.858 0.250 1.00 1.00 C ATOM 351 O GLY A 24 2.634 14.306 -0.569 1.00 1.00 O ATOM 0 H GLY A 24 3.325 11.371 0.649 1.00 1.00 H new ATOM 0 HA2 GLY A 24 1.862 13.387 1.659 1.00 1.00 H new ATOM 0 HA3 GLY A 24 3.413 13.709 2.410 1.00 1.00 H new ATOM 355 N PRO A 25 4.725 13.919 0.047 1.00 1.00 N ATOM 356 CA PRO A 25 5.297 14.541 -1.206 1.00 1.00 C ATOM 357 C PRO A 25 4.848 13.825 -2.506 1.00 1.00 C ATOM 358 O PRO A 25 4.376 14.479 -3.437 1.00 1.00 O ATOM 359 CB PRO A 25 6.838 14.468 -0.967 1.00 1.00 C ATOM 360 CG PRO A 25 7.002 13.307 -0.025 1.00 1.00 C ATOM 361 CD PRO A 25 5.818 13.437 0.942 1.00 1.00 C ATOM 0 HA PRO A 25 4.944 15.560 -1.365 1.00 1.00 H new ATOM 0 HB2 PRO A 25 7.380 14.306 -1.899 1.00 1.00 H new ATOM 0 HB3 PRO A 25 7.219 15.392 -0.533 1.00 1.00 H new ATOM 0 HG2 PRO A 25 6.979 12.356 -0.557 1.00 1.00 H new ATOM 0 HG3 PRO A 25 7.954 13.354 0.503 1.00 1.00 H new ATOM 0 HD2 PRO A 25 5.569 12.485 1.410 1.00 1.00 H new ATOM 0 HD3 PRO A 25 6.026 14.143 1.746 1.00 1.00 H new ATOM 369 N LEU A 26 4.991 12.506 -2.568 1.00 1.00 N ATOM 370 CA LEU A 26 4.601 11.728 -3.785 1.00 1.00 C ATOM 371 C LEU A 26 4.111 10.327 -3.406 1.00 1.00 C ATOM 372 O LEU A 26 4.315 9.851 -2.288 1.00 1.00 O ATOM 373 CB LEU A 26 5.832 11.617 -4.778 1.00 1.00 C ATOM 374 CG LEU A 26 5.405 11.825 -6.286 1.00 1.00 C ATOM 375 CD1 LEU A 26 5.227 13.334 -6.585 1.00 1.00 C ATOM 376 CD2 LEU A 26 6.482 11.252 -7.247 1.00 1.00 C ATOM 0 H LEU A 26 5.368 11.939 -1.809 1.00 1.00 H new ATOM 0 HA LEU A 26 3.786 12.256 -4.279 1.00 1.00 H new ATOM 0 HB2 LEU A 26 6.582 12.361 -4.509 1.00 1.00 H new ATOM 0 HB3 LEU A 26 6.299 10.639 -4.666 1.00 1.00 H new ATOM 0 HG LEU A 26 4.463 11.299 -6.443 1.00 1.00 H new ATOM 0 HD11 LEU A 26 4.933 13.466 -7.626 1.00 1.00 H new ATOM 0 HD12 LEU A 26 4.455 13.745 -5.935 1.00 1.00 H new ATOM 0 HD13 LEU A 26 6.168 13.854 -6.405 1.00 1.00 H new ATOM 0 HD21 LEU A 26 6.168 11.406 -8.279 1.00 1.00 H new ATOM 0 HD22 LEU A 26 7.430 11.762 -7.077 1.00 1.00 H new ATOM 0 HD23 LEU A 26 6.605 10.185 -7.061 1.00 1.00 H new ATOM 388 N ILE A 27 3.480 9.664 -4.369 1.00 1.00 N ATOM 389 CA ILE A 27 2.951 8.305 -4.191 1.00 1.00 C ATOM 390 C ILE A 27 4.009 7.285 -4.634 1.00 1.00 C ATOM 391 O ILE A 27 4.747 7.507 -5.595 1.00 1.00 O ATOM 392 CB ILE A 27 1.635 8.139 -5.016 1.00 1.00 C ATOM 393 CG1 ILE A 27 0.590 9.207 -4.544 1.00 1.00 C ATOM 394 CG2 ILE A 27 1.049 6.706 -4.812 1.00 1.00 C ATOM 395 CD1 ILE A 27 -0.629 9.238 -5.484 1.00 1.00 C ATOM 0 H ILE A 27 3.318 10.050 -5.299 1.00 1.00 H new ATOM 0 HA ILE A 27 2.719 8.132 -3.140 1.00 1.00 H new ATOM 0 HB ILE A 27 1.855 8.282 -6.074 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.265 8.980 -3.529 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.058 10.191 -4.516 1.00 1.00 H new ATOM 0 HG21 ILE A 27 0.132 6.602 -5.392 1.00 1.00 H new ATOM 0 HG22 ILE A 27 1.775 5.965 -5.146 1.00 1.00 H new ATOM 0 HG23 ILE A 27 0.830 6.549 -3.756 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -1.339 9.987 -5.134 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -0.304 9.490 -6.493 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -1.108 8.259 -5.491 1.00 1.00 H new ATOM 407 N TYR A 28 4.064 6.158 -3.934 1.00 1.00 N ATOM 408 CA TYR A 28 5.036 5.075 -4.233 1.00 1.00 C ATOM 409 C TYR A 28 4.323 3.730 -4.370 1.00 1.00 C ATOM 410 O TYR A 28 3.239 3.518 -3.826 1.00 1.00 O ATOM 411 CB TYR A 28 6.087 5.013 -3.104 1.00 1.00 C ATOM 412 CG TYR A 28 6.804 6.366 -3.007 1.00 1.00 C ATOM 413 CD1 TYR A 28 7.950 6.618 -3.789 1.00 1.00 C ATOM 414 CD2 TYR A 28 6.319 7.374 -2.148 1.00 1.00 C ATOM 415 CE1 TYR A 28 8.599 7.858 -3.710 1.00 1.00 C ATOM 416 CE2 TYR A 28 6.974 8.611 -2.075 1.00 1.00 C ATOM 417 CZ TYR A 28 8.111 8.851 -2.853 1.00 1.00 C ATOM 418 OH TYR A 28 8.752 10.072 -2.779 1.00 1.00 O ATOM 0 H TYR A 28 3.448 5.955 -3.147 1.00 1.00 H new ATOM 0 HA TYR A 28 5.530 5.290 -5.180 1.00 1.00 H new ATOM 0 HB2 TYR A 28 5.606 4.774 -2.156 1.00 1.00 H new ATOM 0 HB3 TYR A 28 6.807 4.220 -3.305 1.00 1.00 H new ATOM 0 HD1 TYR A 28 8.329 5.853 -4.451 1.00 1.00 H new ATOM 0 HD2 TYR A 28 5.441 7.192 -1.545 1.00 1.00 H new ATOM 0 HE1 TYR A 28 9.476 8.047 -4.311 1.00 1.00 H new ATOM 0 HE2 TYR A 28 6.600 9.381 -1.416 1.00 1.00 H new ATOM 0 HH TYR A 28 8.285 10.648 -2.138 1.00 1.00 H new ATOM 428 N GLU A 29 4.942 2.812 -5.104 1.00 1.00 N ATOM 429 CA GLU A 29 4.376 1.476 -5.343 1.00 1.00 C ATOM 430 C GLU A 29 4.735 0.514 -4.194 1.00 1.00 C ATOM 431 O GLU A 29 5.876 0.459 -3.736 1.00 1.00 O ATOM 432 CB GLU A 29 4.915 0.937 -6.709 1.00 1.00 C ATOM 433 CG GLU A 29 4.009 -0.185 -7.289 1.00 1.00 C ATOM 434 CD GLU A 29 3.986 -1.404 -6.366 1.00 1.00 C ATOM 435 OE1 GLU A 29 5.039 -1.766 -5.868 1.00 1.00 O ATOM 436 OE2 GLU A 29 2.914 -1.955 -6.168 1.00 1.00 O ATOM 0 H GLU A 29 5.846 2.965 -5.551 1.00 1.00 H new ATOM 0 HA GLU A 29 3.289 1.544 -5.382 1.00 1.00 H new ATOM 0 HB2 GLU A 29 4.978 1.758 -7.423 1.00 1.00 H new ATOM 0 HB3 GLU A 29 5.926 0.553 -6.574 1.00 1.00 H new ATOM 0 HG2 GLU A 29 2.996 0.194 -7.422 1.00 1.00 H new ATOM 0 HG3 GLU A 29 4.372 -0.477 -8.274 1.00 1.00 H new ATOM 443 N ALA A 30 3.747 -0.260 -3.755 1.00 1.00 N ATOM 444 CA ALA A 30 3.932 -1.240 -2.670 1.00 1.00 C ATOM 445 C ALA A 30 2.995 -2.425 -2.880 1.00 1.00 C ATOM 446 O ALA A 30 2.153 -2.420 -3.778 1.00 1.00 O ATOM 447 CB ALA A 30 3.644 -0.571 -1.318 1.00 1.00 C ATOM 0 H ALA A 30 2.800 -0.233 -4.132 1.00 1.00 H new ATOM 0 HA ALA A 30 4.961 -1.599 -2.677 1.00 1.00 H new ATOM 0 HB1 ALA A 30 3.781 -1.297 -0.516 1.00 1.00 H new ATOM 0 HB2 ALA A 30 4.329 0.264 -1.172 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.617 -0.205 -1.304 1.00 1.00 H new ATOM 453 N LYS A 31 3.132 -3.461 -2.060 1.00 1.00 N ATOM 454 CA LYS A 31 2.279 -4.666 -2.168 1.00 1.00 C ATOM 455 C LYS A 31 1.940 -5.223 -0.783 1.00 1.00 C ATOM 456 O LYS A 31 2.667 -5.025 0.190 1.00 1.00 O ATOM 457 CB LYS A 31 3.005 -5.729 -3.026 1.00 1.00 C ATOM 458 CG LYS A 31 2.084 -6.959 -3.297 1.00 1.00 C ATOM 459 CD LYS A 31 2.727 -7.903 -4.347 1.00 1.00 C ATOM 460 CE LYS A 31 4.089 -8.468 -3.854 1.00 1.00 C ATOM 461 NZ LYS A 31 5.172 -7.485 -4.163 1.00 1.00 N ATOM 0 H LYS A 31 3.822 -3.502 -1.310 1.00 1.00 H new ATOM 0 HA LYS A 31 1.340 -4.396 -2.650 1.00 1.00 H new ATOM 0 HB2 LYS A 31 3.314 -5.287 -3.973 1.00 1.00 H new ATOM 0 HB3 LYS A 31 3.911 -6.055 -2.516 1.00 1.00 H new ATOM 0 HG2 LYS A 31 1.912 -7.503 -2.368 1.00 1.00 H new ATOM 0 HG3 LYS A 31 1.111 -6.620 -3.653 1.00 1.00 H new ATOM 0 HD2 LYS A 31 2.047 -8.727 -4.560 1.00 1.00 H new ATOM 0 HD3 LYS A 31 2.874 -7.362 -5.281 1.00 1.00 H new ATOM 0 HE2 LYS A 31 4.050 -8.659 -2.781 1.00 1.00 H new ATOM 0 HE3 LYS A 31 4.298 -9.421 -4.340 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 6.019 -7.993 -4.489 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 4.849 -6.836 -4.909 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 5.402 -6.941 -3.307 1.00 1.00 H new ATOM 475 N VAL A 32 0.823 -5.939 -0.701 1.00 1.00 N ATOM 476 CA VAL A 32 0.360 -6.548 0.562 1.00 1.00 C ATOM 477 C VAL A 32 0.880 -7.984 0.644 1.00 1.00 C ATOM 478 O VAL A 32 0.370 -8.894 -0.009 1.00 1.00 O ATOM 479 CB VAL A 32 -1.199 -6.548 0.625 1.00 1.00 C ATOM 480 CG1 VAL A 32 -1.693 -7.074 1.999 1.00 1.00 C ATOM 481 CG2 VAL A 32 -1.729 -5.112 0.404 1.00 1.00 C ATOM 0 H VAL A 32 0.210 -6.118 -1.496 1.00 1.00 H new ATOM 0 HA VAL A 32 0.741 -5.967 1.402 1.00 1.00 H new ATOM 0 HB VAL A 32 -1.576 -7.206 -0.158 1.00 1.00 H new ATOM 0 HG11 VAL A 32 -2.783 -7.066 2.021 1.00 1.00 H new ATOM 0 HG12 VAL A 32 -1.335 -8.093 2.149 1.00 1.00 H new ATOM 0 HG13 VAL A 32 -1.309 -6.434 2.793 1.00 1.00 H new ATOM 0 HG21 VAL A 32 -2.818 -5.115 0.449 1.00 1.00 H new ATOM 0 HG22 VAL A 32 -1.336 -4.456 1.180 1.00 1.00 H new ATOM 0 HG23 VAL A 32 -1.407 -4.752 -0.573 1.00 1.00 H new ATOM 491 N LEU A 33 1.895 -8.195 1.476 1.00 1.00 N ATOM 492 CA LEU A 33 2.481 -9.534 1.637 1.00 1.00 C ATOM 493 C LEU A 33 1.601 -10.391 2.532 1.00 1.00 C ATOM 494 O LEU A 33 1.383 -11.571 2.258 1.00 1.00 O ATOM 495 CB LEU A 33 3.925 -9.419 2.224 1.00 1.00 C ATOM 496 CG LEU A 33 4.876 -10.588 1.782 1.00 1.00 C ATOM 497 CD1 LEU A 33 4.334 -11.975 2.222 1.00 1.00 C ATOM 498 CD2 LEU A 33 5.132 -10.565 0.244 1.00 1.00 C ATOM 0 H LEU A 33 2.329 -7.469 2.046 1.00 1.00 H new ATOM 0 HA LEU A 33 2.542 -10.014 0.660 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.361 -8.470 1.913 1.00 1.00 H new ATOM 0 HB3 LEU A 33 3.866 -9.401 3.312 1.00 1.00 H new ATOM 0 HG LEU A 33 5.827 -10.427 2.289 1.00 1.00 H new ATOM 0 HD11 LEU A 33 5.022 -12.755 1.896 1.00 1.00 H new ATOM 0 HD12 LEU A 33 4.243 -12.002 3.308 1.00 1.00 H new ATOM 0 HD13 LEU A 33 3.356 -12.143 1.771 1.00 1.00 H new ATOM 0 HD21 LEU A 33 5.794 -11.387 -0.027 1.00 1.00 H new ATOM 0 HD22 LEU A 33 4.185 -10.673 -0.284 1.00 1.00 H new ATOM 0 HD23 LEU A 33 5.597 -9.619 -0.033 1.00 1.00 H new ATOM 510 N LYS A 34 1.116 -9.807 3.623 1.00 1.00 N ATOM 511 CA LYS A 34 0.273 -10.543 4.572 1.00 1.00 C ATOM 512 C LYS A 34 -0.669 -9.580 5.286 1.00 1.00 C ATOM 513 O LYS A 34 -0.381 -8.395 5.448 1.00 1.00 O ATOM 514 CB LYS A 34 1.192 -11.299 5.550 1.00 1.00 C ATOM 515 CG LYS A 34 0.395 -12.280 6.449 1.00 1.00 C ATOM 516 CD LYS A 34 1.323 -12.951 7.499 1.00 1.00 C ATOM 517 CE LYS A 34 2.457 -13.780 6.833 1.00 1.00 C ATOM 518 NZ LYS A 34 1.888 -14.623 5.748 1.00 1.00 N ATOM 0 H LYS A 34 1.288 -8.834 3.875 1.00 1.00 H new ATOM 0 HA LYS A 34 -0.353 -11.270 4.055 1.00 1.00 H new ATOM 0 HB2 LYS A 34 1.945 -11.851 4.988 1.00 1.00 H new ATOM 0 HB3 LYS A 34 1.724 -10.583 6.176 1.00 1.00 H new ATOM 0 HG2 LYS A 34 -0.407 -11.744 6.957 1.00 1.00 H new ATOM 0 HG3 LYS A 34 -0.075 -13.045 5.831 1.00 1.00 H new ATOM 0 HD2 LYS A 34 1.762 -12.184 8.137 1.00 1.00 H new ATOM 0 HD3 LYS A 34 0.730 -13.600 8.143 1.00 1.00 H new ATOM 0 HE2 LYS A 34 3.219 -13.114 6.428 1.00 1.00 H new ATOM 0 HE3 LYS A 34 2.947 -14.409 7.577 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 2.591 -15.331 5.453 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 1.035 -15.106 6.095 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 1.640 -14.023 4.936 1.00 1.00 H new ATOM 532 N THR A 35 -1.820 -10.104 5.695 1.00 1.00 N ATOM 533 CA THR A 35 -2.849 -9.304 6.383 1.00 1.00 C ATOM 534 C THR A 35 -3.390 -10.046 7.601 1.00 1.00 C ATOM 535 O THR A 35 -3.534 -11.268 7.591 1.00 1.00 O ATOM 536 CB THR A 35 -4.006 -9.008 5.397 1.00 1.00 C ATOM 537 OG1 THR A 35 -5.072 -8.392 6.099 1.00 1.00 O ATOM 538 CG2 THR A 35 -4.527 -10.303 4.744 1.00 1.00 C ATOM 0 H THR A 35 -2.072 -11.084 5.565 1.00 1.00 H new ATOM 0 HA THR A 35 -2.400 -8.371 6.723 1.00 1.00 H new ATOM 0 HB THR A 35 -3.627 -8.349 4.615 1.00 1.00 H new ATOM 0 HG1 THR A 35 -4.849 -7.454 6.276 1.00 1.00 H new ATOM 0 HG21 THR A 35 -5.339 -10.063 4.057 1.00 1.00 H new ATOM 0 HG22 THR A 35 -3.718 -10.785 4.195 1.00 1.00 H new ATOM 0 HG23 THR A 35 -4.894 -10.978 5.517 1.00 1.00 H new ATOM 546 N LYS A 36 -3.726 -9.291 8.642 1.00 1.00 N ATOM 547 CA LYS A 36 -4.286 -9.898 9.881 1.00 1.00 C ATOM 548 C LYS A 36 -5.770 -9.502 10.035 1.00 1.00 C ATOM 549 O LYS A 36 -6.041 -8.478 10.663 1.00 1.00 O ATOM 550 CB LYS A 36 -3.460 -9.433 11.107 1.00 1.00 C ATOM 551 CG LYS A 36 -3.979 -10.112 12.425 1.00 1.00 C ATOM 552 CD LYS A 36 -2.947 -9.964 13.575 1.00 1.00 C ATOM 553 CE LYS A 36 -2.707 -8.481 13.926 1.00 1.00 C ATOM 554 NZ LYS A 36 -1.975 -8.401 15.219 1.00 1.00 N ATOM 0 H LYS A 36 -3.629 -8.276 8.670 1.00 1.00 H new ATOM 0 HA LYS A 36 -4.227 -10.984 9.815 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -2.409 -9.679 10.956 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -3.523 -8.349 11.203 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -4.926 -9.660 12.722 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -4.174 -11.169 12.241 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -3.304 -10.495 14.457 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -2.005 -10.428 13.283 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -2.132 -7.996 13.137 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -3.658 -7.953 13.998 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -1.382 -7.547 15.230 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -2.658 -8.358 16.002 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -1.373 -9.242 15.330 1.00 1.00 H new ATOM 568 N PRO A 37 -6.706 -10.250 9.520 1.00 1.00 N ATOM 569 CA PRO A 37 -8.168 -9.895 9.633 1.00 1.00 C ATOM 570 C PRO A 37 -8.794 -10.417 10.925 1.00 1.00 C ATOM 571 O PRO A 37 -10.015 -10.394 11.084 1.00 1.00 O ATOM 572 CB PRO A 37 -8.756 -10.593 8.393 1.00 1.00 C ATOM 573 CG PRO A 37 -8.020 -11.902 8.375 1.00 1.00 C ATOM 574 CD PRO A 37 -6.561 -11.531 8.755 1.00 1.00 C ATOM 0 HA PRO A 37 -8.353 -8.821 9.669 1.00 1.00 H new ATOM 0 HB2 PRO A 37 -9.833 -10.735 8.480 1.00 1.00 H new ATOM 0 HB3 PRO A 37 -8.583 -10.018 7.484 1.00 1.00 H new ATOM 0 HG2 PRO A 37 -8.448 -12.608 9.086 1.00 1.00 H new ATOM 0 HG3 PRO A 37 -8.067 -12.371 7.392 1.00 1.00 H new ATOM 0 HD2 PRO A 37 -6.095 -12.308 9.361 1.00 1.00 H new ATOM 0 HD3 PRO A 37 -5.938 -11.400 7.870 1.00 1.00 H new ATOM 582 N ASP A 38 -7.961 -10.885 11.848 1.00 1.00 N ATOM 583 CA ASP A 38 -8.428 -11.429 13.128 1.00 1.00 C ATOM 584 C ASP A 38 -8.946 -10.312 14.047 1.00 1.00 C ATOM 585 O ASP A 38 -9.194 -10.536 15.232 1.00 1.00 O ATOM 586 CB ASP A 38 -7.256 -12.171 13.800 1.00 1.00 C ATOM 587 CG ASP A 38 -6.791 -13.353 12.937 1.00 1.00 C ATOM 588 OD1 ASP A 38 -7.625 -13.938 12.264 1.00 1.00 O ATOM 589 OD2 ASP A 38 -5.607 -13.649 12.964 1.00 1.00 O ATOM 0 H ASP A 38 -6.947 -10.900 11.736 1.00 1.00 H new ATOM 0 HA ASP A 38 -9.255 -12.116 12.948 1.00 1.00 H new ATOM 0 HB2 ASP A 38 -6.426 -11.482 13.958 1.00 1.00 H new ATOM 0 HB3 ASP A 38 -7.563 -12.531 14.782 1.00 1.00 H new ATOM 594 N ALA A 39 -9.106 -9.110 13.504 1.00 1.00 N ATOM 595 CA ALA A 39 -9.606 -7.965 14.295 1.00 1.00 C ATOM 596 C ALA A 39 -10.137 -6.850 13.387 1.00 1.00 C ATOM 597 O ALA A 39 -9.813 -6.767 12.202 1.00 1.00 O ATOM 598 CB ALA A 39 -8.487 -7.432 15.203 1.00 1.00 C ATOM 0 H ALA A 39 -8.902 -8.893 12.529 1.00 1.00 H new ATOM 0 HA ALA A 39 -10.435 -8.310 14.913 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -8.860 -6.588 15.784 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -8.160 -8.222 15.879 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -7.646 -7.107 14.591 1.00 1.00 H new ATOM 604 N THR A 40 -10.963 -5.977 13.957 1.00 1.00 N ATOM 605 CA THR A 40 -11.573 -4.843 13.208 1.00 1.00 C ATOM 606 C THR A 40 -11.701 -3.567 14.105 1.00 1.00 C ATOM 607 O THR A 40 -12.548 -3.572 14.999 1.00 1.00 O ATOM 608 CB THR A 40 -12.985 -5.261 12.736 1.00 1.00 C ATOM 609 OG1 THR A 40 -13.789 -5.537 13.876 1.00 1.00 O ATOM 610 CG2 THR A 40 -12.917 -6.523 11.841 1.00 1.00 C ATOM 0 H THR A 40 -11.236 -6.020 14.939 1.00 1.00 H new ATOM 0 HA THR A 40 -10.930 -4.605 12.361 1.00 1.00 H new ATOM 0 HB THR A 40 -13.416 -4.447 12.153 1.00 1.00 H new ATOM 0 HG1 THR A 40 -13.695 -4.810 14.527 1.00 1.00 H new ATOM 0 HG21 THR A 40 -13.922 -6.797 11.522 1.00 1.00 H new ATOM 0 HG22 THR A 40 -12.302 -6.315 10.965 1.00 1.00 H new ATOM 0 HG23 THR A 40 -12.478 -7.346 12.405 1.00 1.00 H new ATOM 618 N PRO A 41 -10.929 -2.532 13.914 1.00 1.00 N ATOM 619 CA PRO A 41 -9.846 -2.362 12.868 1.00 1.00 C ATOM 620 C PRO A 41 -8.655 -3.267 13.169 1.00 1.00 C ATOM 621 O PRO A 41 -8.687 -4.091 14.082 1.00 1.00 O ATOM 622 CB PRO A 41 -9.484 -0.854 12.971 1.00 1.00 C ATOM 623 CG PRO A 41 -9.715 -0.543 14.416 1.00 1.00 C ATOM 624 CD PRO A 41 -11.012 -1.301 14.754 1.00 1.00 C ATOM 0 HA PRO A 41 -10.161 -2.641 11.863 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -8.450 -0.668 12.680 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -10.113 -0.244 12.323 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -8.883 -0.879 15.035 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -9.824 0.529 14.582 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -11.070 -1.543 15.815 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -11.896 -0.710 14.513 1.00 1.00 H new ATOM 632 N VAL A 42 -7.590 -3.110 12.389 1.00 1.00 N ATOM 633 CA VAL A 42 -6.379 -3.941 12.584 1.00 1.00 C ATOM 634 C VAL A 42 -5.189 -3.367 11.817 1.00 1.00 C ATOM 635 O VAL A 42 -5.279 -2.275 11.257 1.00 1.00 O ATOM 636 CB VAL A 42 -6.696 -5.410 12.148 1.00 1.00 C ATOM 637 CG1 VAL A 42 -6.875 -5.490 10.595 1.00 1.00 C ATOM 638 CG2 VAL A 42 -5.591 -6.421 12.641 1.00 1.00 C ATOM 0 H VAL A 42 -7.527 -2.434 11.628 1.00 1.00 H new ATOM 0 HA VAL A 42 -6.101 -3.938 13.638 1.00 1.00 H new ATOM 0 HB VAL A 42 -7.632 -5.702 12.624 1.00 1.00 H new ATOM 0 HG11 VAL A 42 -7.095 -6.518 10.307 1.00 1.00 H new ATOM 0 HG12 VAL A 42 -7.698 -4.843 10.290 1.00 1.00 H new ATOM 0 HG13 VAL A 42 -5.957 -5.164 10.106 1.00 1.00 H new ATOM 0 HG21 VAL A 42 -5.850 -7.429 12.317 1.00 1.00 H new ATOM 0 HG22 VAL A 42 -4.626 -6.140 12.218 1.00 1.00 H new ATOM 0 HG23 VAL A 42 -5.532 -6.393 13.729 1.00 1.00 H new ATOM 648 N GLU A 43 -4.066 -4.078 11.812 1.00 1.00 N ATOM 649 CA GLU A 43 -2.832 -3.693 11.117 1.00 1.00 C ATOM 650 C GLU A 43 -2.589 -4.645 9.927 1.00 1.00 C ATOM 651 O GLU A 43 -3.107 -5.758 9.822 1.00 1.00 O ATOM 652 CB GLU A 43 -1.623 -3.742 12.095 1.00 1.00 C ATOM 653 CG GLU A 43 -1.545 -5.113 12.800 1.00 1.00 C ATOM 654 CD GLU A 43 -0.381 -5.152 13.794 1.00 1.00 C ATOM 655 OE1 GLU A 43 0.628 -4.519 13.527 1.00 1.00 O ATOM 656 OE2 GLU A 43 -0.514 -5.824 14.805 1.00 1.00 O ATOM 0 H GLU A 43 -3.982 -4.967 12.306 1.00 1.00 H new ATOM 0 HA GLU A 43 -2.937 -2.673 10.746 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -0.699 -3.556 11.548 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -1.718 -2.950 12.838 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -2.481 -5.311 13.322 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -1.421 -5.901 12.058 1.00 1.00 H new ATOM 663 N TYR A 44 -1.756 -4.168 9.009 1.00 1.00 N ATOM 664 CA TYR A 44 -1.417 -4.923 7.788 1.00 1.00 C ATOM 665 C TYR A 44 0.090 -4.882 7.531 1.00 1.00 C ATOM 666 O TYR A 44 0.761 -3.897 7.840 1.00 1.00 O ATOM 667 CB TYR A 44 -2.196 -4.291 6.610 1.00 1.00 C ATOM 668 CG TYR A 44 -3.709 -4.380 6.896 1.00 1.00 C ATOM 669 CD1 TYR A 44 -4.322 -3.451 7.766 1.00 1.00 C ATOM 670 CD2 TYR A 44 -4.495 -5.397 6.317 1.00 1.00 C ATOM 671 CE1 TYR A 44 -5.693 -3.543 8.049 1.00 1.00 C ATOM 672 CE2 TYR A 44 -5.864 -5.481 6.605 1.00 1.00 C ATOM 673 CZ TYR A 44 -6.461 -4.555 7.469 1.00 1.00 C ATOM 674 OH TYR A 44 -7.810 -4.646 7.755 1.00 1.00 O ATOM 0 H TYR A 44 -1.297 -3.260 9.079 1.00 1.00 H new ATOM 0 HA TYR A 44 -1.696 -5.971 7.900 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -1.899 -3.250 6.479 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -1.958 -4.810 5.681 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -3.732 -2.666 8.216 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -4.041 -6.114 5.649 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -6.155 -2.830 8.716 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -6.461 -6.263 6.159 1.00 1.00 H new ATOM 0 HH TYR A 44 -8.330 -4.399 6.962 1.00 1.00 H new ATOM 684 N TYR A 45 0.612 -5.959 6.951 1.00 1.00 N ATOM 685 CA TYR A 45 2.068 -6.036 6.649 1.00 1.00 C ATOM 686 C TYR A 45 2.323 -5.634 5.198 1.00 1.00 C ATOM 687 O TYR A 45 1.992 -6.362 4.262 1.00 1.00 O ATOM 688 CB TYR A 45 2.658 -7.464 6.880 1.00 1.00 C ATOM 689 CG TYR A 45 4.119 -7.600 6.332 1.00 1.00 C ATOM 690 CD1 TYR A 45 5.020 -6.494 6.301 1.00 1.00 C ATOM 691 CD2 TYR A 45 4.563 -8.836 5.813 1.00 1.00 C ATOM 692 CE1 TYR A 45 6.303 -6.644 5.770 1.00 1.00 C ATOM 693 CE2 TYR A 45 5.855 -8.967 5.290 1.00 1.00 C ATOM 694 CZ TYR A 45 6.718 -7.873 5.270 1.00 1.00 C ATOM 695 OH TYR A 45 7.985 -8.004 4.751 1.00 1.00 O ATOM 0 H TYR A 45 0.075 -6.783 6.679 1.00 1.00 H new ATOM 0 HA TYR A 45 2.564 -5.350 7.336 1.00 1.00 H new ATOM 0 HB2 TYR A 45 2.650 -7.690 7.946 1.00 1.00 H new ATOM 0 HB3 TYR A 45 2.020 -8.201 6.393 1.00 1.00 H new ATOM 0 HD1 TYR A 45 4.708 -5.536 6.690 1.00 1.00 H new ATOM 0 HD2 TYR A 45 3.900 -9.688 5.820 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.977 -5.800 5.748 1.00 1.00 H new ATOM 0 HE2 TYR A 45 6.184 -9.919 4.901 1.00 1.00 H new ATOM 0 HH TYR A 45 8.646 -7.823 5.452 1.00 1.00 H new ATOM 705 N ILE A 46 2.948 -4.473 5.028 1.00 1.00 N ATOM 706 CA ILE A 46 3.295 -3.917 3.713 1.00 1.00 C ATOM 707 C ILE A 46 4.821 -3.916 3.530 1.00 1.00 C ATOM 708 O ILE A 46 5.600 -3.757 4.470 1.00 1.00 O ATOM 709 CB ILE A 46 2.753 -2.462 3.627 1.00 1.00 C ATOM 710 CG1 ILE A 46 1.236 -2.434 4.011 1.00 1.00 C ATOM 711 CG2 ILE A 46 2.959 -1.874 2.206 1.00 1.00 C ATOM 712 CD1 ILE A 46 0.376 -3.385 3.154 1.00 1.00 C ATOM 0 H ILE A 46 3.234 -3.880 5.807 1.00 1.00 H new ATOM 0 HA ILE A 46 2.849 -4.526 2.926 1.00 1.00 H new ATOM 0 HB ILE A 46 3.312 -1.845 4.331 1.00 1.00 H new ATOM 0 HG12 ILE A 46 1.128 -2.704 5.061 1.00 1.00 H new ATOM 0 HG13 ILE A 46 0.859 -1.417 3.903 1.00 1.00 H new ATOM 0 HG21 ILE A 46 2.571 -0.856 2.174 1.00 1.00 H new ATOM 0 HG22 ILE A 46 4.022 -1.865 1.967 1.00 1.00 H new ATOM 0 HG23 ILE A 46 2.428 -2.488 1.478 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -0.665 -3.318 3.470 1.00 1.00 H new ATOM 0 HD12 ILE A 46 0.455 -3.101 2.105 1.00 1.00 H new ATOM 0 HD13 ILE A 46 0.729 -4.408 3.281 1.00 1.00 H new ATOM 724 N HIS A 47 5.246 -4.092 2.281 1.00 1.00 N ATOM 725 CA HIS A 47 6.676 -4.092 1.920 1.00 1.00 C ATOM 726 C HIS A 47 6.863 -3.414 0.553 1.00 1.00 C ATOM 727 O HIS A 47 6.030 -3.545 -0.344 1.00 1.00 O ATOM 728 CB HIS A 47 7.221 -5.552 1.902 1.00 1.00 C ATOM 729 CG HIS A 47 6.775 -6.280 0.659 1.00 1.00 C ATOM 730 ND1 HIS A 47 7.673 -6.719 -0.300 1.00 1.00 N ATOM 731 CD2 HIS A 47 5.534 -6.593 0.182 1.00 1.00 C ATOM 732 CE1 HIS A 47 6.960 -7.265 -1.301 1.00 1.00 C ATOM 733 NE2 HIS A 47 5.650 -7.211 -1.055 1.00 1.00 N ATOM 0 H HIS A 47 4.619 -4.238 1.490 1.00 1.00 H new ATOM 0 HA HIS A 47 7.241 -3.530 2.664 1.00 1.00 H new ATOM 0 HB2 HIS A 47 8.310 -5.538 1.949 1.00 1.00 H new ATOM 0 HB3 HIS A 47 6.871 -6.086 2.786 1.00 1.00 H new ATOM 0 HD1 HIS A 47 8.689 -6.642 -0.255 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.603 -6.390 0.691 1.00 1.00 H new ATOM 0 HE1 HIS A 47 7.394 -7.694 -2.192 1.00 1.00 H new ATOM 742 N TYR A 48 7.975 -2.704 0.386 1.00 1.00 N ATOM 743 CA TYR A 48 8.270 -2.017 -0.878 1.00 1.00 C ATOM 744 C TYR A 48 8.727 -3.032 -1.936 1.00 1.00 C ATOM 745 O TYR A 48 9.517 -3.933 -1.659 1.00 1.00 O ATOM 746 CB TYR A 48 9.355 -0.953 -0.635 1.00 1.00 C ATOM 747 CG TYR A 48 8.838 0.079 0.383 1.00 1.00 C ATOM 748 CD1 TYR A 48 7.946 1.089 -0.036 1.00 1.00 C ATOM 749 CD2 TYR A 48 9.235 0.025 1.734 1.00 1.00 C ATOM 750 CE1 TYR A 48 7.462 2.027 0.885 1.00 1.00 C ATOM 751 CE2 TYR A 48 8.748 0.969 2.647 1.00 1.00 C ATOM 752 CZ TYR A 48 7.863 1.968 2.223 1.00 1.00 C ATOM 753 OH TYR A 48 7.383 2.894 3.127 1.00 1.00 O ATOM 0 H TYR A 48 8.688 -2.586 1.105 1.00 1.00 H new ATOM 0 HA TYR A 48 7.370 -1.526 -1.248 1.00 1.00 H new ATOM 0 HB2 TYR A 48 10.265 -1.424 -0.263 1.00 1.00 H new ATOM 0 HB3 TYR A 48 9.612 -0.459 -1.572 1.00 1.00 H new ATOM 0 HD1 TYR A 48 7.636 1.139 -1.069 1.00 1.00 H new ATOM 0 HD2 TYR A 48 9.916 -0.745 2.066 1.00 1.00 H new ATOM 0 HE1 TYR A 48 6.778 2.797 0.561 1.00 1.00 H new ATOM 0 HE2 TYR A 48 9.056 0.926 3.681 1.00 1.00 H new ATOM 0 HH TYR A 48 7.721 2.683 4.022 1.00 1.00 H new ATOM 763 N ALA A 49 8.223 -2.884 -3.158 1.00 1.00 N ATOM 764 CA ALA A 49 8.571 -3.799 -4.255 1.00 1.00 C ATOM 765 C ALA A 49 10.047 -3.634 -4.661 1.00 1.00 C ATOM 766 O ALA A 49 10.495 -2.531 -4.966 1.00 1.00 O ATOM 767 CB ALA A 49 7.659 -3.511 -5.465 1.00 1.00 C ATOM 0 H ALA A 49 7.573 -2.142 -3.419 1.00 1.00 H new ATOM 0 HA ALA A 49 8.425 -4.825 -3.917 1.00 1.00 H new ATOM 0 HB1 ALA A 49 7.913 -4.187 -6.281 1.00 1.00 H new ATOM 0 HB2 ALA A 49 6.618 -3.662 -5.180 1.00 1.00 H new ATOM 0 HB3 ALA A 49 7.801 -2.480 -5.790 1.00 1.00 H new ATOM 773 N GLY A 50 10.793 -4.732 -4.671 1.00 1.00 N ATOM 774 CA GLY A 50 12.221 -4.715 -5.051 1.00 1.00 C ATOM 775 C GLY A 50 13.116 -4.427 -3.850 1.00 1.00 C ATOM 776 O GLY A 50 14.223 -3.911 -3.998 1.00 1.00 O ATOM 0 H GLY A 50 10.440 -5.656 -4.421 1.00 1.00 H new ATOM 0 HA2 GLY A 50 12.494 -5.676 -5.487 1.00 1.00 H new ATOM 0 HA3 GLY A 50 12.385 -3.958 -5.818 1.00 1.00 H new ATOM 780 N TRP A 51 12.634 -4.759 -2.656 1.00 1.00 N ATOM 781 CA TRP A 51 13.400 -4.529 -1.406 1.00 1.00 C ATOM 782 C TRP A 51 13.266 -5.721 -0.457 1.00 1.00 C ATOM 783 O TRP A 51 12.391 -6.578 -0.597 1.00 1.00 O ATOM 784 CB TRP A 51 12.882 -3.250 -0.720 1.00 1.00 C ATOM 785 CG TRP A 51 13.093 -2.071 -1.633 1.00 1.00 C ATOM 786 CD1 TRP A 51 12.182 -1.583 -2.508 1.00 1.00 C ATOM 787 CD2 TRP A 51 14.278 -1.235 -1.774 1.00 1.00 C ATOM 788 NE1 TRP A 51 12.731 -0.505 -3.175 1.00 1.00 N ATOM 789 CE2 TRP A 51 14.022 -0.250 -2.758 1.00 1.00 C ATOM 790 CE3 TRP A 51 15.538 -1.235 -1.150 1.00 1.00 C ATOM 791 CZ2 TRP A 51 14.981 0.701 -3.111 1.00 1.00 C ATOM 792 CZ3 TRP A 51 16.507 -0.279 -1.501 1.00 1.00 C ATOM 793 CH2 TRP A 51 16.230 0.686 -2.480 1.00 1.00 C ATOM 0 H TRP A 51 11.720 -5.188 -2.513 1.00 1.00 H new ATOM 0 HA TRP A 51 14.454 -4.412 -1.656 1.00 1.00 H new ATOM 0 HB2 TRP A 51 11.823 -3.355 -0.483 1.00 1.00 H new ATOM 0 HB3 TRP A 51 13.406 -3.092 0.223 1.00 1.00 H new ATOM 0 HD1 TRP A 51 11.187 -1.974 -2.660 1.00 1.00 H new ATOM 0 HE1 TRP A 51 12.242 0.036 -3.888 1.00 1.00 H new ATOM 0 HE3 TRP A 51 15.763 -1.975 -0.396 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 14.761 1.442 -3.865 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 17.471 -0.288 -1.014 1.00 1.00 H new ATOM 0 HH2 TRP A 51 16.979 1.417 -2.747 1.00 1.00 H new ATOM 804 N SER A 52 14.160 -5.774 0.525 1.00 1.00 N ATOM 805 CA SER A 52 14.170 -6.860 1.513 1.00 1.00 C ATOM 806 C SER A 52 12.945 -6.766 2.423 1.00 1.00 C ATOM 807 O SER A 52 12.389 -5.689 2.632 1.00 1.00 O ATOM 808 CB SER A 52 15.455 -6.781 2.351 1.00 1.00 C ATOM 809 OG SER A 52 16.579 -6.894 1.489 1.00 1.00 O ATOM 0 H SER A 52 14.892 -5.077 0.663 1.00 1.00 H new ATOM 0 HA SER A 52 14.138 -7.815 0.989 1.00 1.00 H new ATOM 0 HB2 SER A 52 15.492 -5.837 2.895 1.00 1.00 H new ATOM 0 HB3 SER A 52 15.469 -7.578 3.094 1.00 1.00 H new ATOM 0 HG SER A 52 17.403 -6.843 2.017 1.00 1.00 H new ATOM 815 N LYS A 53 12.524 -7.908 2.959 1.00 1.00 N ATOM 816 CA LYS A 53 11.366 -8.015 3.859 1.00 1.00 C ATOM 817 C LYS A 53 11.762 -7.760 5.315 1.00 1.00 C ATOM 818 O LYS A 53 10.900 -7.721 6.193 1.00 1.00 O ATOM 819 CB LYS A 53 10.729 -9.417 3.703 1.00 1.00 C ATOM 820 CG LYS A 53 10.239 -9.602 2.248 1.00 1.00 C ATOM 821 CD LYS A 53 9.544 -10.969 2.078 1.00 1.00 C ATOM 822 CE LYS A 53 9.086 -11.148 0.616 1.00 1.00 C ATOM 823 NZ LYS A 53 8.347 -12.432 0.475 1.00 1.00 N ATOM 0 H LYS A 53 12.981 -8.802 2.781 1.00 1.00 H new ATOM 0 HA LYS A 53 10.638 -7.251 3.585 1.00 1.00 H new ATOM 0 HB2 LYS A 53 11.457 -10.189 3.954 1.00 1.00 H new ATOM 0 HB3 LYS A 53 9.895 -9.528 4.396 1.00 1.00 H new ATOM 0 HG2 LYS A 53 9.547 -8.801 1.987 1.00 1.00 H new ATOM 0 HG3 LYS A 53 11.083 -9.530 1.562 1.00 1.00 H new ATOM 0 HD2 LYS A 53 10.228 -11.771 2.355 1.00 1.00 H new ATOM 0 HD3 LYS A 53 8.687 -11.036 2.748 1.00 1.00 H new ATOM 0 HE2 LYS A 53 8.447 -10.316 0.320 1.00 1.00 H new ATOM 0 HE3 LYS A 53 9.949 -11.139 -0.049 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 8.040 -12.549 -0.512 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 8.970 -13.222 0.740 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 7.514 -12.424 1.098 1.00 1.00 H new ATOM 837 N ASN A 54 13.053 -7.607 5.590 1.00 1.00 N ATOM 838 CA ASN A 54 13.542 -7.378 6.959 1.00 1.00 C ATOM 839 C ASN A 54 13.113 -6.000 7.462 1.00 1.00 C ATOM 840 O ASN A 54 13.213 -5.705 8.653 1.00 1.00 O ATOM 841 CB ASN A 54 15.085 -7.507 6.997 1.00 1.00 C ATOM 842 CG ASN A 54 15.748 -6.473 6.080 1.00 1.00 C ATOM 843 OD1 ASN A 54 15.451 -5.283 6.167 1.00 1.00 O ATOM 844 ND2 ASN A 54 16.645 -6.855 5.212 1.00 1.00 N ATOM 0 H ASN A 54 13.789 -7.636 4.884 1.00 1.00 H new ATOM 0 HA ASN A 54 13.106 -8.132 7.615 1.00 1.00 H new ATOM 0 HB2 ASN A 54 15.439 -7.372 8.019 1.00 1.00 H new ATOM 0 HB3 ASN A 54 15.377 -8.511 6.689 1.00 1.00 H new ATOM 0 HD21 ASN A 54 17.097 -6.167 4.609 1.00 1.00 H new ATOM 0 HD22 ASN A 54 16.894 -7.841 5.137 1.00 1.00 H new ATOM 851 N TRP A 55 12.641 -5.153 6.553 1.00 1.00 N ATOM 852 CA TRP A 55 12.195 -3.801 6.901 1.00 1.00 C ATOM 853 C TRP A 55 10.939 -3.882 7.773 1.00 1.00 C ATOM 854 O TRP A 55 10.717 -3.019 8.623 1.00 1.00 O ATOM 855 CB TRP A 55 11.898 -3.001 5.609 1.00 1.00 C ATOM 856 CG TRP A 55 13.176 -2.705 4.869 1.00 1.00 C ATOM 857 CD1 TRP A 55 13.999 -3.635 4.330 1.00 1.00 C ATOM 858 CD2 TRP A 55 13.784 -1.408 4.583 1.00 1.00 C ATOM 859 NE1 TRP A 55 15.070 -2.996 3.737 1.00 1.00 N ATOM 860 CE2 TRP A 55 14.984 -1.624 3.865 1.00 1.00 C ATOM 861 CE3 TRP A 55 13.414 -0.082 4.876 1.00 1.00 C ATOM 862 CZ2 TRP A 55 15.789 -0.562 3.450 1.00 1.00 C ATOM 863 CZ3 TRP A 55 14.224 0.990 4.459 1.00 1.00 C ATOM 864 CH2 TRP A 55 15.408 0.750 3.748 1.00 1.00 C ATOM 0 H TRP A 55 12.556 -5.378 5.562 1.00 1.00 H new ATOM 0 HA TRP A 55 12.981 -3.292 7.459 1.00 1.00 H new ATOM 0 HB2 TRP A 55 11.223 -3.569 4.969 1.00 1.00 H new ATOM 0 HB3 TRP A 55 11.391 -2.069 5.859 1.00 1.00 H new ATOM 0 HD1 TRP A 55 13.843 -4.703 4.359 1.00 1.00 H new ATOM 0 HE1 TRP A 55 15.832 -3.479 3.262 1.00 1.00 H new ATOM 0 HE3 TRP A 55 12.504 0.113 5.424 1.00 1.00 H new ATOM 0 HZ2 TRP A 55 16.700 -0.752 2.902 1.00 1.00 H new ATOM 0 HZ3 TRP A 55 13.932 2.004 4.688 1.00 1.00 H new ATOM 0 HH2 TRP A 55 16.025 1.577 3.431 1.00 1.00 H new ATOM 875 N ASP A 56 10.126 -4.911 7.560 1.00 1.00 N ATOM 876 CA ASP A 56 8.883 -5.137 8.320 1.00 1.00 C ATOM 877 C ASP A 56 8.086 -3.840 8.559 1.00 1.00 C ATOM 878 O ASP A 56 8.058 -3.332 9.681 1.00 1.00 O ATOM 879 CB ASP A 56 9.224 -5.828 9.666 1.00 1.00 C ATOM 880 CG ASP A 56 10.124 -4.940 10.533 1.00 1.00 C ATOM 881 OD1 ASP A 56 11.322 -4.947 10.305 1.00 1.00 O ATOM 882 OD2 ASP A 56 9.601 -4.276 11.415 1.00 1.00 O ATOM 0 H ASP A 56 10.305 -5.622 6.851 1.00 1.00 H new ATOM 0 HA ASP A 56 8.241 -5.784 7.723 1.00 1.00 H new ATOM 0 HB2 ASP A 56 8.304 -6.054 10.205 1.00 1.00 H new ATOM 0 HB3 ASP A 56 9.723 -6.778 9.474 1.00 1.00 H new ATOM 887 N GLU A 57 7.441 -3.293 7.535 1.00 1.00 N ATOM 888 CA GLU A 57 6.665 -2.045 7.677 1.00 1.00 C ATOM 889 C GLU A 57 5.196 -2.358 7.948 1.00 1.00 C ATOM 890 O GLU A 57 4.398 -2.493 7.022 1.00 1.00 O ATOM 891 CB GLU A 57 6.812 -1.196 6.390 1.00 1.00 C ATOM 892 CG GLU A 57 6.147 0.193 6.557 1.00 1.00 C ATOM 893 CD GLU A 57 6.325 1.043 5.292 1.00 1.00 C ATOM 894 OE1 GLU A 57 6.559 0.473 4.241 1.00 1.00 O ATOM 895 OE2 GLU A 57 6.232 2.256 5.402 1.00 1.00 O ATOM 0 H GLU A 57 7.434 -3.686 6.594 1.00 1.00 H new ATOM 0 HA GLU A 57 7.051 -1.478 8.524 1.00 1.00 H new ATOM 0 HB2 GLU A 57 7.868 -1.070 6.153 1.00 1.00 H new ATOM 0 HB3 GLU A 57 6.357 -1.722 5.550 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.085 0.069 6.770 1.00 1.00 H new ATOM 0 HG3 GLU A 57 6.585 0.710 7.411 1.00 1.00 H new ATOM 902 N TRP A 58 4.825 -2.449 9.221 1.00 1.00 N ATOM 903 CA TRP A 58 3.441 -2.724 9.638 1.00 1.00 C ATOM 904 C TRP A 58 2.733 -1.381 9.889 1.00 1.00 C ATOM 905 O TRP A 58 3.195 -0.563 10.685 1.00 1.00 O ATOM 906 CB TRP A 58 3.455 -3.579 10.944 1.00 1.00 C ATOM 907 CG TRP A 58 3.906 -4.993 10.664 1.00 1.00 C ATOM 908 CD1 TRP A 58 5.157 -5.354 10.298 1.00 1.00 C ATOM 909 CD2 TRP A 58 3.134 -6.230 10.742 1.00 1.00 C ATOM 910 NE1 TRP A 58 5.201 -6.730 10.140 1.00 1.00 N ATOM 911 CE2 TRP A 58 3.978 -7.315 10.403 1.00 1.00 C ATOM 912 CE3 TRP A 58 1.793 -6.511 11.069 1.00 1.00 C ATOM 913 CZ2 TRP A 58 3.508 -8.634 10.389 1.00 1.00 C ATOM 914 CZ3 TRP A 58 1.318 -7.835 11.054 1.00 1.00 C ATOM 915 CH2 TRP A 58 2.174 -8.893 10.715 1.00 1.00 C ATOM 0 H TRP A 58 5.473 -2.335 10.001 1.00 1.00 H new ATOM 0 HA TRP A 58 2.911 -3.278 8.863 1.00 1.00 H new ATOM 0 HB2 TRP A 58 4.120 -3.120 11.676 1.00 1.00 H new ATOM 0 HB3 TRP A 58 2.458 -3.593 11.384 1.00 1.00 H new ATOM 0 HD1 TRP A 58 5.987 -4.679 10.152 1.00 1.00 H new ATOM 0 HE1 TRP A 58 6.035 -7.248 9.863 1.00 1.00 H new ATOM 0 HE3 TRP A 58 1.125 -5.704 11.333 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 4.172 -9.445 10.128 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 0.287 -8.038 11.305 1.00 1.00 H new ATOM 0 HH2 TRP A 58 1.803 -9.907 10.706 1.00 1.00 H new ATOM 926 N VAL A 59 1.601 -1.156 9.230 1.00 1.00 N ATOM 927 CA VAL A 59 0.854 0.135 9.401 1.00 1.00 C ATOM 928 C VAL A 59 -0.698 -0.045 9.289 1.00 1.00 C ATOM 929 O VAL A 59 -1.139 -0.934 8.561 1.00 1.00 O ATOM 930 CB VAL A 59 1.326 1.172 8.327 1.00 1.00 C ATOM 931 CG1 VAL A 59 2.805 1.584 8.549 1.00 1.00 C ATOM 932 CG2 VAL A 59 1.175 0.571 6.909 1.00 1.00 C ATOM 0 H VAL A 59 1.170 -1.817 8.583 1.00 1.00 H new ATOM 0 HA VAL A 59 1.075 0.495 10.406 1.00 1.00 H new ATOM 0 HB VAL A 59 0.700 2.059 8.426 1.00 1.00 H new ATOM 0 HG11 VAL A 59 3.100 2.305 7.786 1.00 1.00 H new ATOM 0 HG12 VAL A 59 2.913 2.035 9.535 1.00 1.00 H new ATOM 0 HG13 VAL A 59 3.442 0.702 8.481 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.506 1.299 6.168 1.00 1.00 H new ATOM 0 HG22 VAL A 59 1.783 -0.330 6.829 1.00 1.00 H new ATOM 0 HG23 VAL A 59 0.130 0.320 6.730 1.00 1.00 H new ATOM 942 N PRO A 60 -1.481 0.772 9.937 1.00 1.00 N ATOM 943 CA PRO A 60 -2.987 0.656 9.820 1.00 1.00 C ATOM 944 C PRO A 60 -3.486 0.839 8.372 1.00 1.00 C ATOM 945 O PRO A 60 -2.817 1.427 7.524 1.00 1.00 O ATOM 946 CB PRO A 60 -3.539 1.784 10.747 1.00 1.00 C ATOM 947 CG PRO A 60 -2.418 2.047 11.706 1.00 1.00 C ATOM 948 CD PRO A 60 -1.143 1.910 10.858 1.00 1.00 C ATOM 0 HA PRO A 60 -3.330 -0.337 10.110 1.00 1.00 H new ATOM 0 HB2 PRO A 60 -3.796 2.678 10.178 1.00 1.00 H new ATOM 0 HB3 PRO A 60 -4.443 1.467 11.267 1.00 1.00 H new ATOM 0 HG2 PRO A 60 -2.497 3.041 12.145 1.00 1.00 H new ATOM 0 HG3 PRO A 60 -2.425 1.333 12.530 1.00 1.00 H new ATOM 0 HD2 PRO A 60 -0.922 2.825 10.308 1.00 1.00 H new ATOM 0 HD3 PRO A 60 -0.270 1.689 11.472 1.00 1.00 H new ATOM 956 N GLU A 61 -4.688 0.338 8.108 1.00 1.00 N ATOM 957 CA GLU A 61 -5.308 0.445 6.777 1.00 1.00 C ATOM 958 C GLU A 61 -5.335 1.902 6.286 1.00 1.00 C ATOM 959 O GLU A 61 -5.435 2.168 5.089 1.00 1.00 O ATOM 960 CB GLU A 61 -6.753 -0.119 6.824 1.00 1.00 C ATOM 961 CG GLU A 61 -7.561 0.563 7.952 1.00 1.00 C ATOM 962 CD GLU A 61 -8.985 0.006 8.017 1.00 1.00 C ATOM 963 OE1 GLU A 61 -9.512 -0.354 6.977 1.00 1.00 O ATOM 964 OE2 GLU A 61 -9.528 -0.048 9.108 1.00 1.00 O ATOM 0 H GLU A 61 -5.261 -0.150 8.797 1.00 1.00 H new ATOM 0 HA GLU A 61 -4.708 -0.137 6.077 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -7.245 0.044 5.865 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -6.725 -1.196 6.988 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -7.061 0.407 8.908 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -7.594 1.639 7.781 1.00 1.00 H new ATOM 971 N ASN A 62 -5.245 2.847 7.216 1.00 1.00 N ATOM 972 CA ASN A 62 -5.272 4.272 6.888 1.00 1.00 C ATOM 973 C ASN A 62 -4.088 4.669 6.002 1.00 1.00 C ATOM 974 O ASN A 62 -4.252 5.439 5.057 1.00 1.00 O ATOM 975 CB ASN A 62 -5.246 5.092 8.193 1.00 1.00 C ATOM 976 CG ASN A 62 -6.427 4.695 9.079 1.00 1.00 C ATOM 977 OD1 ASN A 62 -7.571 4.696 8.625 1.00 1.00 O ATOM 978 ND2 ASN A 62 -6.217 4.353 10.321 1.00 1.00 N ATOM 0 H ASN A 62 -5.152 2.651 8.213 1.00 1.00 H new ATOM 0 HA ASN A 62 -6.186 4.479 6.332 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -4.309 4.920 8.722 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -5.293 6.157 7.965 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -7.001 4.086 10.916 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -5.269 4.352 10.696 1.00 1.00 H new ATOM 985 N ARG A 63 -2.900 4.154 6.297 1.00 1.00 N ATOM 986 CA ARG A 63 -1.687 4.475 5.524 1.00 1.00 C ATOM 987 C ARG A 63 -1.637 3.666 4.221 1.00 1.00 C ATOM 988 O ARG A 63 -0.725 3.832 3.412 1.00 1.00 O ATOM 989 CB ARG A 63 -0.419 4.202 6.408 1.00 1.00 C ATOM 990 CG ARG A 63 0.824 5.067 5.960 1.00 1.00 C ATOM 991 CD ARG A 63 0.788 6.484 6.598 1.00 1.00 C ATOM 992 NE ARG A 63 1.868 7.322 6.057 1.00 1.00 N ATOM 993 CZ ARG A 63 3.156 7.143 6.382 1.00 1.00 C ATOM 994 NH1 ARG A 63 3.510 6.181 7.195 1.00 1.00 N ATOM 995 NH2 ARG A 63 4.062 7.940 5.880 1.00 1.00 N ATOM 0 H ARG A 63 -2.742 3.507 7.070 1.00 1.00 H new ATOM 0 HA ARG A 63 -1.707 5.530 5.250 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -0.652 4.419 7.450 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -0.161 3.144 6.352 1.00 1.00 H new ATOM 0 HG2 ARG A 63 1.745 4.560 6.248 1.00 1.00 H new ATOM 0 HG3 ARG A 63 0.835 5.156 4.874 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -0.176 6.953 6.402 1.00 1.00 H new ATOM 0 HD3 ARG A 63 0.890 6.404 7.680 1.00 1.00 H new ATOM 0 HE ARG A 63 1.627 8.071 5.407 1.00 1.00 H new ATOM 0 HH11 ARG A 63 2.803 5.559 7.588 1.00 1.00 H new ATOM 0 HH12 ARG A 63 4.493 6.053 7.436 1.00 1.00 H new ATOM 0 HH21 ARG A 63 3.786 8.691 5.247 1.00 1.00 H new ATOM 0 HH22 ARG A 63 5.045 7.811 6.122 1.00 1.00 H new ATOM 1009 N VAL A 64 -2.619 2.795 4.010 1.00 1.00 N ATOM 1010 CA VAL A 64 -2.687 1.947 2.793 1.00 1.00 C ATOM 1011 C VAL A 64 -3.740 2.498 1.814 1.00 1.00 C ATOM 1012 O VAL A 64 -4.882 2.777 2.176 1.00 1.00 O ATOM 1013 CB VAL A 64 -3.040 0.482 3.193 1.00 1.00 C ATOM 1014 CG1 VAL A 64 -2.905 -0.463 1.968 1.00 1.00 C ATOM 1015 CG2 VAL A 64 -2.079 0.010 4.314 1.00 1.00 C ATOM 0 H VAL A 64 -3.389 2.647 4.662 1.00 1.00 H new ATOM 0 HA VAL A 64 -1.716 1.959 2.298 1.00 1.00 H new ATOM 0 HB VAL A 64 -4.070 0.453 3.549 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -3.155 -1.482 2.265 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -3.585 -0.137 1.181 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -1.880 -0.434 1.597 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -2.324 -1.014 4.596 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -1.051 0.052 3.954 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -2.185 0.660 5.182 1.00 1.00 H new ATOM 1025 N LEU A 65 -3.344 2.649 0.554 1.00 1.00 N ATOM 1026 CA LEU A 65 -4.258 3.167 -0.506 1.00 1.00 C ATOM 1027 C LEU A 65 -4.526 2.079 -1.553 1.00 1.00 C ATOM 1028 O LEU A 65 -3.616 1.394 -2.023 1.00 1.00 O ATOM 1029 CB LEU A 65 -3.637 4.423 -1.170 1.00 1.00 C ATOM 1030 CG LEU A 65 -4.592 5.084 -2.228 1.00 1.00 C ATOM 1031 CD1 LEU A 65 -5.934 5.565 -1.587 1.00 1.00 C ATOM 1032 CD2 LEU A 65 -3.858 6.287 -2.876 1.00 1.00 C ATOM 0 H LEU A 65 -2.405 2.426 0.225 1.00 1.00 H new ATOM 0 HA LEU A 65 -5.209 3.447 -0.052 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -3.394 5.154 -0.399 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -2.700 4.147 -1.654 1.00 1.00 H new ATOM 0 HG LEU A 65 -4.843 4.336 -2.980 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -6.563 6.015 -2.355 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -6.453 4.713 -1.146 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -5.723 6.302 -0.812 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -4.509 6.756 -3.613 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -3.600 7.013 -2.106 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -2.949 5.938 -3.365 1.00 1.00 H new ATOM 1044 N LYS A 66 -5.792 1.929 -1.924 1.00 1.00 N ATOM 1045 CA LYS A 66 -6.195 0.921 -2.913 1.00 1.00 C ATOM 1046 C LYS A 66 -5.695 1.298 -4.307 1.00 1.00 C ATOM 1047 O LYS A 66 -5.492 2.473 -4.609 1.00 1.00 O ATOM 1048 CB LYS A 66 -7.737 0.776 -2.906 1.00 1.00 C ATOM 1049 CG LYS A 66 -8.412 2.138 -3.199 1.00 1.00 C ATOM 1050 CD LYS A 66 -9.951 1.992 -3.151 1.00 1.00 C ATOM 1051 CE LYS A 66 -10.622 3.348 -3.435 1.00 1.00 C ATOM 1052 NZ LYS A 66 -12.104 3.179 -3.411 1.00 1.00 N ATOM 0 H LYS A 66 -6.562 2.490 -1.558 1.00 1.00 H new ATOM 0 HA LYS A 66 -5.746 -0.036 -2.646 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -8.043 0.044 -3.654 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -8.068 0.400 -1.938 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -8.087 2.878 -2.468 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -8.104 2.501 -4.179 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -10.277 1.256 -3.886 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -10.258 1.624 -2.172 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -10.316 4.082 -2.689 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -10.303 3.728 -4.406 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -12.561 4.093 -3.603 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -12.387 2.492 -4.138 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -12.399 2.834 -2.475 1.00 1.00 H new ATOM 1066 N TYR A 67 -5.516 0.292 -5.157 1.00 1.00 N ATOM 1067 CA TYR A 67 -5.045 0.524 -6.532 1.00 1.00 C ATOM 1068 C TYR A 67 -6.240 0.843 -7.431 1.00 1.00 C ATOM 1069 O TYR A 67 -7.177 0.054 -7.561 1.00 1.00 O ATOM 1070 CB TYR A 67 -4.307 -0.735 -7.048 1.00 1.00 C ATOM 1071 CG TYR A 67 -3.683 -0.457 -8.429 1.00 1.00 C ATOM 1072 CD1 TYR A 67 -2.381 0.080 -8.521 1.00 1.00 C ATOM 1073 CD2 TYR A 67 -4.406 -0.725 -9.606 1.00 1.00 C ATOM 1074 CE1 TYR A 67 -1.814 0.340 -9.776 1.00 1.00 C ATOM 1075 CE2 TYR A 67 -3.832 -0.460 -10.860 1.00 1.00 C ATOM 1076 CZ TYR A 67 -2.539 0.071 -10.943 1.00 1.00 C ATOM 1077 OH TYR A 67 -1.978 0.331 -12.178 1.00 1.00 O ATOM 0 H TYR A 67 -5.686 -0.687 -4.927 1.00 1.00 H new ATOM 0 HA TYR A 67 -4.354 1.367 -6.546 1.00 1.00 H new ATOM 0 HB2 TYR A 67 -3.530 -1.025 -6.341 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -5.003 -1.571 -7.117 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -1.820 0.291 -7.622 1.00 1.00 H new ATOM 0 HD2 TYR A 67 -5.403 -1.135 -9.545 1.00 1.00 H new ATOM 0 HE1 TYR A 67 -0.816 0.748 -9.843 1.00 1.00 H new ATOM 0 HE2 TYR A 67 -4.389 -0.666 -11.762 1.00 1.00 H new ATOM 0 HH TYR A 67 -2.613 0.087 -12.884 1.00 1.00 H new ATOM 1087 N ASN A 68 -6.204 2.012 -8.060 1.00 1.00 N ATOM 1088 CA ASN A 68 -7.293 2.441 -8.950 1.00 1.00 C ATOM 1089 C ASN A 68 -6.772 3.430 -9.990 1.00 1.00 C ATOM 1090 O ASN A 68 -5.956 4.296 -9.679 1.00 1.00 O ATOM 1091 CB ASN A 68 -8.412 3.088 -8.109 1.00 1.00 C ATOM 1092 CG ASN A 68 -9.622 3.437 -8.982 1.00 1.00 C ATOM 1093 OD1 ASN A 68 -9.904 2.743 -9.959 1.00 1.00 O ATOM 1094 ND2 ASN A 68 -10.352 4.474 -8.681 1.00 1.00 N ATOM 0 H ASN A 68 -5.439 2.682 -7.975 1.00 1.00 H new ATOM 0 HA ASN A 68 -7.692 1.573 -9.475 1.00 1.00 H new ATOM 0 HB2 ASN A 68 -8.716 2.406 -7.315 1.00 1.00 H new ATOM 0 HB3 ASN A 68 -8.035 3.990 -7.627 1.00 1.00 H new ATOM 0 HD21 ASN A 68 -11.160 4.713 -9.256 1.00 1.00 H new ATOM 0 HD22 ASN A 68 -10.115 5.047 -7.871 1.00 1.00 H new ATOM 1101 N ASP A 69 -7.266 3.296 -11.216 1.00 1.00 N ATOM 1102 CA ASP A 69 -6.862 4.182 -12.318 1.00 1.00 C ATOM 1103 C ASP A 69 -6.833 5.657 -11.874 1.00 1.00 C ATOM 1104 O ASP A 69 -6.042 6.448 -12.388 1.00 1.00 O ATOM 1105 CB ASP A 69 -7.832 4.001 -13.503 1.00 1.00 C ATOM 1106 CG ASP A 69 -7.393 4.844 -14.708 1.00 1.00 C ATOM 1107 OD1 ASP A 69 -6.250 4.706 -15.112 1.00 1.00 O ATOM 1108 OD2 ASP A 69 -8.202 5.615 -15.202 1.00 1.00 O ATOM 0 H ASP A 69 -7.948 2.584 -11.479 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.852 3.911 -12.625 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -7.873 2.949 -13.786 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -8.839 4.289 -13.201 1.00 1.00 H new ATOM 1113 N ASP A 70 -7.685 6.022 -10.923 1.00 1.00 N ATOM 1114 CA ASP A 70 -7.744 7.391 -10.402 1.00 1.00 C ATOM 1115 C ASP A 70 -6.502 7.696 -9.564 1.00 1.00 C ATOM 1116 O ASP A 70 -5.880 8.744 -9.731 1.00 1.00 O ATOM 1117 CB ASP A 70 -9.014 7.565 -9.548 1.00 1.00 C ATOM 1118 CG ASP A 70 -10.255 7.266 -10.390 1.00 1.00 C ATOM 1119 OD1 ASP A 70 -10.280 7.685 -11.535 1.00 1.00 O ATOM 1120 OD2 ASP A 70 -11.160 6.626 -9.878 1.00 1.00 O ATOM 0 H ASP A 70 -8.353 5.384 -10.490 1.00 1.00 H new ATOM 0 HA ASP A 70 -7.775 8.088 -11.240 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -8.978 6.896 -8.688 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -9.064 8.582 -9.159 1.00 1.00 H new ATOM 1125 N ASN A 71 -6.131 6.792 -8.663 1.00 1.00 N ATOM 1126 CA ASN A 71 -4.944 6.987 -7.813 1.00 1.00 C ATOM 1127 C ASN A 71 -3.701 7.026 -8.698 1.00 1.00 C ATOM 1128 O ASN A 71 -2.762 7.781 -8.453 1.00 1.00 O ATOM 1129 CB ASN A 71 -4.838 5.862 -6.770 1.00 1.00 C ATOM 1130 CG ASN A 71 -6.109 5.808 -5.927 1.00 1.00 C ATOM 1131 OD1 ASN A 71 -6.626 4.726 -5.650 1.00 1.00 O ATOM 1132 ND2 ASN A 71 -6.643 6.917 -5.495 1.00 1.00 N ATOM 0 H ASN A 71 -6.628 5.917 -8.497 1.00 1.00 H new ATOM 0 HA ASN A 71 -5.031 7.931 -7.274 1.00 1.00 H new ATOM 0 HB2 ASN A 71 -4.683 4.906 -7.269 1.00 1.00 H new ATOM 0 HB3 ASN A 71 -3.973 6.031 -6.128 1.00 1.00 H new ATOM 0 HD21 ASN A 71 -7.490 6.888 -4.927 1.00 1.00 H new ATOM 0 HD22 ASN A 71 -6.214 7.813 -5.725 1.00 1.00 H new ATOM 1139 N VAL A 72 -3.710 6.211 -9.747 1.00 1.00 N ATOM 1140 CA VAL A 72 -2.598 6.177 -10.707 1.00 1.00 C ATOM 1141 C VAL A 72 -2.556 7.532 -11.417 1.00 1.00 C ATOM 1142 O VAL A 72 -1.491 8.133 -11.567 1.00 1.00 O ATOM 1143 CB VAL A 72 -2.804 5.020 -11.727 1.00 1.00 C ATOM 1144 CG1 VAL A 72 -1.662 4.999 -12.780 1.00 1.00 C ATOM 1145 CG2 VAL A 72 -2.829 3.669 -10.972 1.00 1.00 C ATOM 0 H VAL A 72 -4.470 5.564 -9.959 1.00 1.00 H new ATOM 0 HA VAL A 72 -1.653 5.996 -10.196 1.00 1.00 H new ATOM 0 HB VAL A 72 -3.750 5.179 -12.244 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -1.829 4.182 -13.481 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -1.649 5.945 -13.322 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -0.706 4.856 -12.277 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -2.973 2.857 -11.684 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -1.884 3.528 -10.447 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -3.647 3.670 -10.252 1.00 1.00 H new ATOM 1155 N LYS A 73 -3.720 8.014 -11.840 1.00 1.00 N ATOM 1156 CA LYS A 73 -3.842 9.308 -12.516 1.00 1.00 C ATOM 1157 C LYS A 73 -3.310 10.421 -11.604 1.00 1.00 C ATOM 1158 O LYS A 73 -2.636 11.340 -12.072 1.00 1.00 O ATOM 1159 CB LYS A 73 -5.325 9.554 -12.882 1.00 1.00 C ATOM 1160 CG LYS A 73 -5.501 10.853 -13.708 1.00 1.00 C ATOM 1161 CD LYS A 73 -6.995 11.043 -14.071 1.00 1.00 C ATOM 1162 CE LYS A 73 -7.187 12.319 -14.908 1.00 1.00 C ATOM 1163 NZ LYS A 73 -6.702 13.499 -14.140 1.00 1.00 N ATOM 0 H LYS A 73 -4.606 7.522 -11.726 1.00 1.00 H new ATOM 0 HA LYS A 73 -3.251 9.307 -13.432 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -5.705 8.706 -13.451 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -5.919 9.618 -11.971 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -5.144 11.710 -13.137 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -4.900 10.802 -14.616 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -7.353 10.178 -14.629 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -7.592 11.105 -13.161 1.00 1.00 H new ATOM 0 HE2 LYS A 73 -6.641 12.235 -15.848 1.00 1.00 H new ATOM 0 HE3 LYS A 73 -8.240 12.445 -15.161 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 -7.097 14.368 -14.552 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 -7.006 13.417 -13.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 -5.664 13.537 -14.182 1.00 1.00 H new ATOM 1177 N ARG A 74 -3.600 10.338 -10.309 1.00 1.00 N ATOM 1178 CA ARG A 74 -3.121 11.334 -9.338 1.00 1.00 C ATOM 1179 C ARG A 74 -1.590 11.301 -9.280 1.00 1.00 C ATOM 1180 O ARG A 74 -0.948 12.347 -9.180 1.00 1.00 O ATOM 1181 CB ARG A 74 -3.730 11.073 -7.926 1.00 1.00 C ATOM 1182 CG ARG A 74 -5.227 11.471 -7.896 1.00 1.00 C ATOM 1183 CD ARG A 74 -5.839 11.182 -6.515 1.00 1.00 C ATOM 1184 NE ARG A 74 -7.255 11.580 -6.499 1.00 1.00 N ATOM 1185 CZ ARG A 74 -7.638 12.867 -6.487 1.00 1.00 C ATOM 1186 NH1 ARG A 74 -6.752 13.824 -6.434 1.00 1.00 N ATOM 1187 NH2 ARG A 74 -8.908 13.163 -6.521 1.00 1.00 N ATOM 0 H ARG A 74 -4.165 9.593 -9.901 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.444 12.323 -9.661 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.623 10.020 -7.667 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -3.181 11.643 -7.176 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -5.332 12.530 -8.131 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -5.771 10.919 -8.663 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -5.748 10.121 -6.283 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -5.291 11.725 -5.745 1.00 1.00 H new ATOM 0 HE ARG A 74 -7.971 10.853 -6.497 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -5.758 13.598 -6.401 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -7.054 14.798 -6.425 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -9.604 12.419 -6.556 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -9.205 14.139 -6.512 1.00 1.00 H new ATOM 1201 N ARG A 75 -1.001 10.110 -9.349 1.00 1.00 N ATOM 1202 CA ARG A 75 0.467 9.972 -9.325 1.00 1.00 C ATOM 1203 C ARG A 75 1.042 10.634 -10.583 1.00 1.00 C ATOM 1204 O ARG A 75 2.058 11.327 -10.532 1.00 1.00 O ATOM 1205 CB ARG A 75 0.868 8.478 -9.252 1.00 1.00 C ATOM 1206 CG ARG A 75 2.409 8.323 -9.130 1.00 1.00 C ATOM 1207 CD ARG A 75 2.788 6.838 -8.953 1.00 1.00 C ATOM 1208 NE ARG A 75 4.245 6.698 -8.814 1.00 1.00 N ATOM 1209 CZ ARG A 75 4.831 5.515 -8.591 1.00 1.00 C ATOM 1210 NH1 ARG A 75 4.117 4.425 -8.497 1.00 1.00 N ATOM 1211 NH2 ARG A 75 6.127 5.452 -8.463 1.00 1.00 N ATOM 0 H ARG A 75 -1.507 9.227 -9.422 1.00 1.00 H new ATOM 0 HA ARG A 75 0.872 10.464 -8.441 1.00 1.00 H new ATOM 0 HB2 ARG A 75 0.382 8.008 -8.397 1.00 1.00 H new ATOM 0 HB3 ARG A 75 0.516 7.959 -10.143 1.00 1.00 H new ATOM 0 HG2 ARG A 75 2.893 8.725 -10.020 1.00 1.00 H new ATOM 0 HG3 ARG A 75 2.773 8.901 -8.281 1.00 1.00 H new ATOM 0 HD2 ARG A 75 2.291 6.431 -8.073 1.00 1.00 H new ATOM 0 HD3 ARG A 75 2.440 6.262 -9.810 1.00 1.00 H new ATOM 0 HE ARG A 75 4.829 7.531 -8.890 1.00 1.00 H new ATOM 0 HH11 ARG A 75 3.103 4.470 -8.594 1.00 1.00 H new ATOM 0 HH12 ARG A 75 4.574 3.529 -8.327 1.00 1.00 H new ATOM 0 HH21 ARG A 75 6.688 6.301 -8.533 1.00 1.00 H new ATOM 0 HH22 ARG A 75 6.580 4.554 -8.293 1.00 1.00 H new ATOM 1225 N GLN A 76 0.376 10.421 -11.713 1.00 1.00 N ATOM 1226 CA GLN A 76 0.795 11.017 -12.990 1.00 1.00 C ATOM 1227 C GLN A 76 0.621 12.541 -12.894 1.00 1.00 C ATOM 1228 O GLN A 76 1.440 13.311 -13.398 1.00 1.00 O ATOM 1229 CB GLN A 76 -0.065 10.449 -14.150 1.00 1.00 C ATOM 1230 CG GLN A 76 0.219 8.937 -14.379 1.00 1.00 C ATOM 1231 CD GLN A 76 1.633 8.717 -14.925 1.00 1.00 C ATOM 1232 OE1 GLN A 76 2.583 8.579 -14.153 1.00 1.00 O ATOM 1233 NE2 GLN A 76 1.826 8.686 -16.215 1.00 1.00 N ATOM 0 H GLN A 76 -0.459 9.839 -11.777 1.00 1.00 H new ATOM 0 HA GLN A 76 1.839 10.776 -13.191 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -1.122 10.592 -13.925 1.00 1.00 H new ATOM 0 HB3 GLN A 76 0.144 11.003 -15.065 1.00 1.00 H new ATOM 0 HG2 GLN A 76 0.100 8.395 -13.441 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -0.511 8.529 -15.077 1.00 1.00 H new ATOM 0 HE21 GLN A 76 1.037 8.801 -16.852 1.00 1.00 H new ATOM 0 HE22 GLN A 76 2.766 8.547 -16.587 1.00 1.00 H new ATOM 1242 N GLU A 77 -0.450 12.967 -12.234 1.00 1.00 N ATOM 1243 CA GLU A 77 -0.725 14.410 -12.057 1.00 1.00 C ATOM 1244 C GLU A 77 0.374 15.023 -11.177 1.00 1.00 C ATOM 1245 O GLU A 77 1.033 15.996 -11.545 1.00 1.00 O ATOM 1246 CB GLU A 77 -2.111 14.600 -11.396 1.00 1.00 C ATOM 1247 CG GLU A 77 -2.503 16.097 -11.349 1.00 1.00 C ATOM 1248 CD GLU A 77 -3.876 16.282 -10.688 1.00 1.00 C ATOM 1249 OE1 GLU A 77 -4.351 15.354 -10.050 1.00 1.00 O ATOM 1250 OE2 GLU A 77 -4.431 17.359 -10.831 1.00 1.00 O ATOM 0 H GLU A 77 -1.143 12.350 -11.812 1.00 1.00 H new ATOM 0 HA GLU A 77 -0.731 14.909 -13.026 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -2.863 14.041 -11.953 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -2.095 14.193 -10.385 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -1.750 16.657 -10.795 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -2.524 16.504 -12.360 1.00 1.00 H new ATOM 1257 N LEU A 78 0.576 14.413 -10.013 1.00 1.00 N ATOM 1258 CA LEU A 78 1.601 14.865 -9.063 1.00 1.00 C ATOM 1259 C LEU A 78 2.984 14.828 -9.734 1.00 1.00 C ATOM 1260 O LEU A 78 3.817 15.712 -9.536 1.00 1.00 O ATOM 1261 CB LEU A 78 1.580 13.926 -7.826 1.00 1.00 C ATOM 1262 CG LEU A 78 0.277 14.124 -6.956 1.00 1.00 C ATOM 1263 CD1 LEU A 78 -0.006 12.851 -6.116 1.00 1.00 C ATOM 1264 CD2 LEU A 78 0.442 15.326 -5.981 1.00 1.00 C ATOM 0 H LEU A 78 0.044 13.601 -9.699 1.00 1.00 H new ATOM 0 HA LEU A 78 1.395 15.889 -8.750 1.00 1.00 H new ATOM 0 HB2 LEU A 78 1.641 12.889 -8.157 1.00 1.00 H new ATOM 0 HB3 LEU A 78 2.459 14.117 -7.211 1.00 1.00 H new ATOM 0 HG LEU A 78 -0.551 14.316 -7.638 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -0.907 13.001 -5.521 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -0.148 12.000 -6.782 1.00 1.00 H new ATOM 0 HD13 LEU A 78 0.838 12.657 -5.454 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -0.467 15.444 -5.392 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.285 15.141 -5.315 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.624 16.236 -6.553 1.00 1.00 H new ATOM 1276 N ALA A 79 3.216 13.797 -10.539 1.00 1.00 N ATOM 1277 CA ALA A 79 4.497 13.644 -11.238 1.00 1.00 C ATOM 1278 C ALA A 79 4.658 14.759 -12.256 1.00 1.00 C ATOM 1279 O ALA A 79 5.760 15.251 -12.496 1.00 1.00 O ATOM 1280 CB ALA A 79 4.578 12.268 -11.907 1.00 1.00 C ATOM 0 H ALA A 79 2.541 13.056 -10.726 1.00 1.00 H new ATOM 0 HA ALA A 79 5.312 13.712 -10.518 1.00 1.00 H new ATOM 0 HB1 ALA A 79 5.534 12.169 -12.422 1.00 1.00 H new ATOM 0 HB2 ALA A 79 4.492 11.489 -11.149 1.00 1.00 H new ATOM 0 HB3 ALA A 79 3.766 12.165 -12.627 1.00 1.00 H new ATOM 1286 N ARG A 80 3.543 15.177 -12.848 1.00 1.00 N ATOM 1287 CA ARG A 80 3.547 16.252 -13.837 1.00 1.00 C ATOM 1288 C ARG A 80 4.022 17.548 -13.176 1.00 1.00 C ATOM 1289 O ARG A 80 4.839 18.287 -13.724 1.00 1.00 O ATOM 1290 CB ARG A 80 2.111 16.421 -14.422 1.00 1.00 C ATOM 1291 CG ARG A 80 2.120 17.196 -15.801 1.00 1.00 C ATOM 1292 CD ARG A 80 2.061 16.214 -16.997 1.00 1.00 C ATOM 1293 NE ARG A 80 3.260 15.366 -17.036 1.00 1.00 N ATOM 1294 CZ ARG A 80 3.384 14.351 -17.902 1.00 1.00 C ATOM 1295 NH1 ARG A 80 2.463 14.128 -18.802 1.00 1.00 N ATOM 1296 NH2 ARG A 80 4.443 13.589 -17.856 1.00 1.00 N ATOM 0 H ARG A 80 2.620 14.786 -12.659 1.00 1.00 H new ATOM 0 HA ARG A 80 4.228 16.008 -14.652 1.00 1.00 H new ATOM 0 HB2 ARG A 80 1.658 15.439 -14.561 1.00 1.00 H new ATOM 0 HB3 ARG A 80 1.490 16.960 -13.707 1.00 1.00 H new ATOM 0 HG2 ARG A 80 1.270 17.877 -15.844 1.00 1.00 H new ATOM 0 HG3 ARG A 80 3.021 17.806 -15.872 1.00 1.00 H new ATOM 0 HD2 ARG A 80 1.171 15.590 -16.917 1.00 1.00 H new ATOM 0 HD3 ARG A 80 1.975 16.773 -17.929 1.00 1.00 H new ATOM 0 HE ARG A 80 4.021 15.556 -16.384 1.00 1.00 H new ATOM 0 HH11 ARG A 80 1.640 14.729 -18.850 1.00 1.00 H new ATOM 0 HH12 ARG A 80 2.567 13.353 -19.457 1.00 1.00 H new ATOM 0 HH21 ARG A 80 5.170 13.768 -17.164 1.00 1.00 H new ATOM 0 HH22 ARG A 80 4.543 12.815 -18.513 1.00 1.00 H new ATOM 1310 N GLN A 81 3.499 17.816 -11.983 1.00 1.00 N ATOM 1311 CA GLN A 81 3.856 19.008 -11.216 1.00 1.00 C ATOM 1312 C GLN A 81 5.348 18.991 -10.882 1.00 1.00 C ATOM 1313 O GLN A 81 6.013 20.026 -10.937 1.00 1.00 O ATOM 1314 CB GLN A 81 3.019 19.043 -9.913 1.00 1.00 C ATOM 1315 CG GLN A 81 1.523 19.213 -10.248 1.00 1.00 C ATOM 1316 CD GLN A 81 0.685 19.217 -8.966 1.00 1.00 C ATOM 1317 OE1 GLN A 81 0.709 18.248 -8.206 1.00 1.00 O ATOM 1318 NE2 GLN A 81 -0.057 20.252 -8.685 1.00 1.00 N ATOM 0 H GLN A 81 2.817 17.215 -11.520 1.00 1.00 H new ATOM 0 HA GLN A 81 3.644 19.898 -11.808 1.00 1.00 H new ATOM 0 HB2 GLN A 81 3.171 18.123 -9.349 1.00 1.00 H new ATOM 0 HB3 GLN A 81 3.353 19.864 -9.279 1.00 1.00 H new ATOM 0 HG2 GLN A 81 1.370 20.144 -10.793 1.00 1.00 H new ATOM 0 HG3 GLN A 81 1.196 18.404 -10.901 1.00 1.00 H new ATOM 0 HE21 GLN A 81 -0.075 21.053 -9.316 1.00 1.00 H new ATOM 0 HE22 GLN A 81 -0.619 20.260 -7.834 1.00 1.00 H new ATOM 1327 N CYS A 82 5.879 17.819 -10.549 1.00 1.00 N ATOM 1328 CA CYS A 82 7.294 17.664 -10.209 1.00 1.00 C ATOM 1329 C CYS A 82 8.168 18.000 -11.411 1.00 1.00 C ATOM 1330 O CYS A 82 9.247 18.572 -11.260 1.00 1.00 O ATOM 1331 CB CYS A 82 7.548 16.223 -9.751 1.00 1.00 C ATOM 1332 SG CYS A 82 6.573 15.912 -8.265 1.00 1.00 S ATOM 0 H CYS A 82 5.345 16.951 -10.506 1.00 1.00 H new ATOM 0 HA CYS A 82 7.548 18.350 -9.401 1.00 1.00 H new ATOM 0 HB2 CYS A 82 7.272 15.521 -10.538 1.00 1.00 H new ATOM 0 HB3 CYS A 82 8.608 16.072 -9.547 1.00 1.00 H new ATOM 0 HG CYS A 82 5.336 15.687 -8.597 1.00 1.00 H new