USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 418 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: D 27 ASN : amide:sc= -0.133 K(o=-0.28,f=-1.1!) USER MOD Set 1.2: D 32 HIS : no HD1:sc= -0.319 X(o=-0.28,f=0.01) USER MOD Set 1.3: D 34 TYR OH : rot 91:sc= 0.17 USER MOD Set 2.1: C 27 ASN :FLIP amide:sc= 0.56 F(o=0.75,f=1.3) USER MOD Set 2.2: C 32 HIS :FLIP no HD1:sc= -0.0152 F(o=0.62,f=1.3) USER MOD Set 2.3: C 34 TYR OH : rot -174:sc= 0.763 USER MOD Set 3.1: C 19 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: D 19 TYR OH : rot -52:sc= -0.0482 USER MOD Single : C 20 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : C 23 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : C 24 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : C 25 TYR OH : rot 180:sc= 0 USER MOD Single : C 30 THR OG1 : rot -81:sc= 1.08 USER MOD Single : D 20 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : D 23 GLN : amide:sc= 0.218 X(o=0.22,f=-0.00083) USER MOD Single : D 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 25 TYR OH : rot 180:sc= 0 USER MOD Single : D 30 THR OG1 : rot -70:sc= 0.499 USER MOD ----------------------------------------------------------------- ATOM 121 N PRO C 11 -6.966 -7.219 7.752 1.00 0.00 N ATOM 122 CA PRO C 11 -8.099 -6.914 6.883 1.00 0.00 C ATOM 123 C PRO C 11 -7.991 -5.480 6.343 1.00 0.00 C ATOM 124 O PRO C 11 -7.209 -4.675 6.857 1.00 0.00 O ATOM 125 CB PRO C 11 -9.342 -7.116 7.756 1.00 0.00 C ATOM 126 CG PRO C 11 -8.833 -6.842 9.166 1.00 0.00 C ATOM 127 CD PRO C 11 -7.409 -7.395 9.125 1.00 0.00 C ATOM 0 HA PRO C 11 -8.137 -7.556 6.003 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -10.143 -6.431 7.478 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -9.739 -8.127 7.662 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -8.847 -5.778 9.401 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -9.440 -7.343 9.920 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -6.760 -6.861 9.819 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -7.387 -8.446 9.413 1.00 0.00 H new ATOM 135 N VAL C 12 -8.872 -5.108 5.410 1.00 0.00 N ATOM 136 CA VAL C 12 -8.875 -3.775 4.805 1.00 0.00 C ATOM 137 C VAL C 12 -8.981 -2.642 5.829 1.00 0.00 C ATOM 138 O VAL C 12 -8.483 -1.556 5.571 1.00 0.00 O ATOM 139 CB VAL C 12 -9.974 -3.636 3.739 1.00 0.00 C ATOM 140 CG1 VAL C 12 -9.656 -4.473 2.496 1.00 0.00 C ATOM 141 CG2 VAL C 12 -11.383 -3.986 4.244 1.00 0.00 C ATOM 0 H VAL C 12 -9.603 -5.723 5.053 1.00 0.00 H new ATOM 0 HA VAL C 12 -7.903 -3.675 4.322 1.00 0.00 H new ATOM 0 HB VAL C 12 -9.981 -2.577 3.481 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -10.453 -4.352 1.762 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -8.712 -4.140 2.065 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -9.576 -5.524 2.775 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -12.101 -3.863 3.433 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -11.399 -5.020 4.589 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -11.649 -3.324 5.068 1.00 0.00 H new ATOM 151 N GLU C 13 -9.656 -2.862 6.957 1.00 0.00 N ATOM 152 CA GLU C 13 -9.813 -1.862 8.004 1.00 0.00 C ATOM 153 C GLU C 13 -8.464 -1.590 8.669 1.00 0.00 C ATOM 154 O GLU C 13 -8.105 -0.437 8.886 1.00 0.00 O ATOM 155 CB GLU C 13 -10.859 -2.394 8.990 1.00 0.00 C ATOM 156 CG GLU C 13 -10.921 -1.537 10.254 1.00 0.00 C ATOM 157 CD GLU C 13 -12.052 -1.907 11.209 1.00 0.00 C ATOM 158 OE1 GLU C 13 -12.861 -2.811 10.908 1.00 0.00 O ATOM 159 OE2 GLU C 13 -12.251 -1.168 12.201 1.00 0.00 O ATOM 0 H GLU C 13 -10.112 -3.749 7.168 1.00 0.00 H new ATOM 0 HA GLU C 13 -10.156 -0.908 7.603 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -11.838 -2.410 8.511 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -10.619 -3.423 9.258 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -9.972 -1.622 10.783 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -11.032 -0.492 9.965 1.00 0.00 H new ATOM 166 N ASP C 14 -7.735 -2.648 9.020 1.00 0.00 N ATOM 167 CA ASP C 14 -6.420 -2.549 9.650 1.00 0.00 C ATOM 168 C ASP C 14 -5.467 -1.871 8.657 1.00 0.00 C ATOM 169 O ASP C 14 -4.590 -1.102 9.052 1.00 0.00 O ATOM 170 CB ASP C 14 -5.951 -3.959 10.041 1.00 0.00 C ATOM 171 CG ASP C 14 -5.519 -4.085 11.500 1.00 0.00 C ATOM 172 OD1 ASP C 14 -4.586 -3.374 11.937 1.00 0.00 O ATOM 173 OD2 ASP C 14 -5.901 -5.106 12.121 1.00 0.00 O ATOM 0 H ASP C 14 -8.044 -3.609 8.873 1.00 0.00 H new ATOM 0 HA ASP C 14 -6.449 -1.949 10.560 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -6.758 -4.666 9.849 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -5.117 -4.245 9.400 1.00 0.00 H new ATOM 178 N LEU C 15 -5.689 -2.105 7.356 1.00 0.00 N ATOM 179 CA LEU C 15 -4.931 -1.536 6.246 1.00 0.00 C ATOM 180 C LEU C 15 -5.098 -0.012 6.244 1.00 0.00 C ATOM 181 O LEU C 15 -4.171 0.678 5.831 1.00 0.00 O ATOM 182 CB LEU C 15 -5.416 -2.145 4.918 1.00 0.00 C ATOM 183 CG LEU C 15 -4.329 -2.232 3.834 1.00 0.00 C ATOM 184 CD1 LEU C 15 -3.379 -3.412 4.086 1.00 0.00 C ATOM 185 CD2 LEU C 15 -5.005 -2.442 2.472 1.00 0.00 C ATOM 0 H LEU C 15 -6.436 -2.724 7.041 1.00 0.00 H new ATOM 0 HA LEU C 15 -3.873 -1.770 6.362 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -5.804 -3.145 5.110 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -6.246 -1.549 4.539 1.00 0.00 H new ATOM 0 HG LEU C 15 -3.753 -1.307 3.854 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -2.623 -3.444 3.301 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -2.893 -3.287 5.054 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -3.946 -4.343 4.082 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -4.244 -2.505 1.694 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -5.582 -3.366 2.491 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -5.669 -1.604 2.262 1.00 0.00 H new ATOM 197 N ILE C 16 -6.211 0.544 6.745 1.00 0.00 N ATOM 198 CA ILE C 16 -6.425 1.993 6.788 1.00 0.00 C ATOM 199 C ILE C 16 -5.364 2.637 7.696 1.00 0.00 C ATOM 200 O ILE C 16 -4.874 3.729 7.399 1.00 0.00 O ATOM 201 CB ILE C 16 -7.846 2.376 7.289 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.989 1.667 6.531 1.00 0.00 C ATOM 203 CG2 ILE C 16 -8.064 3.892 7.148 1.00 0.00 C ATOM 204 CD1 ILE C 16 -10.367 1.785 7.198 1.00 0.00 C ATOM 0 H ILE C 16 -6.984 0.001 7.130 1.00 0.00 H new ATOM 0 HA ILE C 16 -6.335 2.367 5.768 1.00 0.00 H new ATOM 0 HB ILE C 16 -7.883 2.054 8.330 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -9.051 2.080 5.524 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -8.739 0.611 6.428 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -9.062 4.150 7.501 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.320 4.423 7.741 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.965 4.178 6.101 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -11.108 1.258 6.597 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -10.328 1.345 8.194 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.644 2.836 7.277 1.00 0.00 H new ATOM 216 N ARG C 17 -4.986 1.960 8.779 1.00 0.00 N ATOM 217 CA ARG C 17 -4.009 2.416 9.767 1.00 0.00 C ATOM 218 C ARG C 17 -2.600 1.898 9.510 1.00 0.00 C ATOM 219 O ARG C 17 -1.690 2.162 10.292 1.00 0.00 O ATOM 220 CB ARG C 17 -4.545 1.974 11.145 1.00 0.00 C ATOM 221 CG ARG C 17 -4.307 3.019 12.234 1.00 0.00 C ATOM 222 CD ARG C 17 -5.264 4.212 12.069 1.00 0.00 C ATOM 223 NE ARG C 17 -5.007 5.239 13.083 1.00 0.00 N ATOM 224 CZ ARG C 17 -5.851 6.169 13.542 1.00 0.00 C ATOM 225 NH1 ARG C 17 -7.104 6.262 13.097 1.00 0.00 N ATOM 226 NH2 ARG C 17 -5.416 7.020 14.464 1.00 0.00 N ATOM 0 H ARG C 17 -5.368 1.041 9.001 1.00 0.00 H new ATOM 0 HA ARG C 17 -3.905 3.500 9.711 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -5.614 1.773 11.067 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -4.065 1.039 11.434 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -4.450 2.566 13.215 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -3.275 3.367 12.190 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.147 4.641 11.074 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -6.295 3.868 12.148 1.00 0.00 H new ATOM 0 HE ARG C 17 -4.071 5.245 13.488 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -7.443 5.613 12.387 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -7.724 6.982 13.467 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -4.457 6.955 14.806 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -6.041 7.739 14.830 1.00 0.00 H new ATOM 240 N PHE C 18 -2.397 1.210 8.393 1.00 0.00 N ATOM 241 CA PHE C 18 -1.113 0.657 8.010 1.00 0.00 C ATOM 242 C PHE C 18 -0.627 1.319 6.732 1.00 0.00 C ATOM 243 O PHE C 18 0.504 1.776 6.710 1.00 0.00 O ATOM 244 CB PHE C 18 -1.251 -0.856 7.920 1.00 0.00 C ATOM 245 CG PHE C 18 -0.226 -1.551 7.065 1.00 0.00 C ATOM 246 CD1 PHE C 18 1.066 -1.794 7.561 1.00 0.00 C ATOM 247 CD2 PHE C 18 -0.592 -2.005 5.787 1.00 0.00 C ATOM 248 CE1 PHE C 18 1.980 -2.522 6.785 1.00 0.00 C ATOM 249 CE2 PHE C 18 0.308 -2.765 5.028 1.00 0.00 C ATOM 250 CZ PHE C 18 1.593 -3.019 5.529 1.00 0.00 C ATOM 0 H PHE C 18 -3.138 1.020 7.718 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.344 0.864 8.755 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -1.198 -1.269 8.927 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -2.242 -1.090 7.531 1.00 0.00 H new ATOM 0 HD1 PHE C 18 1.354 -1.423 8.534 1.00 0.00 H new ATOM 0 HD2 PHE C 18 -1.568 -1.768 5.389 1.00 0.00 H new ATOM 0 HE1 PHE C 18 2.980 -2.700 7.152 1.00 0.00 H new ATOM 0 HE2 PHE C 18 0.014 -3.153 4.064 1.00 0.00 H new ATOM 0 HZ PHE C 18 2.290 -3.601 4.945 1.00 0.00 H new ATOM 260 N TYR C 19 -1.488 1.488 5.725 1.00 0.00 N ATOM 261 CA TYR C 19 -1.170 2.115 4.445 1.00 0.00 C ATOM 262 C TYR C 19 -0.541 3.501 4.629 1.00 0.00 C ATOM 263 O TYR C 19 0.454 3.827 3.983 1.00 0.00 O ATOM 264 CB TYR C 19 -2.457 2.225 3.617 1.00 0.00 C ATOM 265 CG TYR C 19 -2.324 3.146 2.424 1.00 0.00 C ATOM 266 CD1 TYR C 19 -1.740 2.687 1.234 1.00 0.00 C ATOM 267 CD2 TYR C 19 -2.698 4.496 2.546 1.00 0.00 C ATOM 268 CE1 TYR C 19 -1.524 3.585 0.171 1.00 0.00 C ATOM 269 CE2 TYR C 19 -2.477 5.393 1.489 1.00 0.00 C ATOM 270 CZ TYR C 19 -1.881 4.945 0.291 1.00 0.00 C ATOM 271 OH TYR C 19 -1.654 5.816 -0.734 1.00 0.00 O ATOM 0 H TYR C 19 -2.459 1.180 5.783 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.438 1.496 3.927 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.744 1.232 3.271 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.263 2.585 4.257 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -1.457 1.650 1.134 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -3.158 4.845 3.459 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -1.080 3.229 -0.747 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -2.764 6.429 1.593 1.00 0.00 H new ATOM 0 HH TYR C 19 -1.963 6.710 -0.478 1.00 0.00 H new ATOM 281 N ASN C 20 -1.131 4.302 5.520 1.00 0.00 N ATOM 282 CA ASN C 20 -0.682 5.658 5.812 1.00 0.00 C ATOM 283 C ASN C 20 0.771 5.651 6.280 1.00 0.00 C ATOM 284 O ASN C 20 1.588 6.384 5.731 1.00 0.00 O ATOM 285 CB ASN C 20 -1.634 6.290 6.839 1.00 0.00 C ATOM 286 CG ASN C 20 -1.740 7.809 6.728 1.00 0.00 C ATOM 287 OD1 ASN C 20 -0.929 8.492 6.105 1.00 0.00 O ATOM 288 ND2 ASN C 20 -2.884 8.351 7.124 1.00 0.00 N ATOM 0 H ASN C 20 -1.946 4.019 6.065 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.710 6.268 4.909 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.626 5.856 6.716 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.295 6.031 7.842 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -3.086 9.328 6.911 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.562 7.791 7.641 1.00 0.00 H new ATOM 295 N ASP C 21 1.114 4.767 7.223 1.00 0.00 N ATOM 296 CA ASP C 21 2.491 4.657 7.729 1.00 0.00 C ATOM 297 C ASP C 21 3.406 3.977 6.699 1.00 0.00 C ATOM 298 O ASP C 21 4.557 4.371 6.523 1.00 0.00 O ATOM 299 CB ASP C 21 2.527 3.863 9.043 1.00 0.00 C ATOM 300 CG ASP C 21 2.598 4.783 10.259 1.00 0.00 C ATOM 301 OD1 ASP C 21 1.520 5.180 10.763 1.00 0.00 O ATOM 302 OD2 ASP C 21 3.723 5.159 10.666 1.00 0.00 O ATOM 0 H ASP C 21 0.458 4.115 7.653 1.00 0.00 H new ATOM 0 HA ASP C 21 2.854 5.669 7.910 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.638 3.236 9.113 1.00 0.00 H new ATOM 0 HB3 ASP C 21 3.389 3.196 9.041 1.00 0.00 H new ATOM 307 N LEU C 22 2.887 2.994 5.954 1.00 0.00 N ATOM 308 CA LEU C 22 3.564 2.207 4.924 1.00 0.00 C ATOM 309 C LEU C 22 4.175 3.082 3.827 1.00 0.00 C ATOM 310 O LEU C 22 5.143 2.660 3.189 1.00 0.00 O ATOM 311 CB LEU C 22 2.584 1.136 4.411 1.00 0.00 C ATOM 312 CG LEU C 22 2.916 0.492 3.054 1.00 0.00 C ATOM 313 CD1 LEU C 22 2.487 -0.968 3.030 1.00 0.00 C ATOM 314 CD2 LEU C 22 2.197 1.190 1.905 1.00 0.00 C ATOM 0 H LEU C 22 1.914 2.710 6.065 1.00 0.00 H new ATOM 0 HA LEU C 22 4.427 1.696 5.350 1.00 0.00 H new ATOM 0 HB2 LEU C 22 2.523 0.344 5.158 1.00 0.00 H new ATOM 0 HB3 LEU C 22 1.594 1.586 4.341 1.00 0.00 H new ATOM 0 HG LEU C 22 3.995 0.584 2.929 1.00 0.00 H new ATOM 0 HD11 LEU C 22 2.731 -1.403 2.061 1.00 0.00 H new ATOM 0 HD12 LEU C 22 3.010 -1.514 3.815 1.00 0.00 H new ATOM 0 HD13 LEU C 22 1.412 -1.034 3.197 1.00 0.00 H new ATOM 0 HD21 LEU C 22 2.458 0.705 0.964 1.00 0.00 H new ATOM 0 HD22 LEU C 22 1.120 1.128 2.059 1.00 0.00 H new ATOM 0 HD23 LEU C 22 2.499 2.237 1.870 1.00 0.00 H new ATOM 326 N GLN C 23 3.700 4.315 3.651 1.00 0.00 N ATOM 327 CA GLN C 23 4.258 5.230 2.664 1.00 0.00 C ATOM 328 C GLN C 23 5.747 5.473 2.987 1.00 0.00 C ATOM 329 O GLN C 23 6.572 5.722 2.102 1.00 0.00 O ATOM 330 CB GLN C 23 3.410 6.507 2.652 1.00 0.00 C ATOM 331 CG GLN C 23 3.707 7.541 3.746 1.00 0.00 C ATOM 332 CD GLN C 23 2.700 8.697 3.780 1.00 0.00 C ATOM 333 OE1 GLN C 23 1.543 8.595 3.140 1.00 0.00 O flip ATOM 334 NE2 GLN C 23 2.985 9.745 4.362 1.00 0.00 N flip ATOM 0 H GLN C 23 2.923 4.703 4.186 1.00 0.00 H new ATOM 0 HA GLN C 23 4.225 4.815 1.657 1.00 0.00 H new ATOM 0 HB2 GLN C 23 3.536 6.990 1.683 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.361 6.220 2.731 1.00 0.00 H new ATOM 0 HG2 GLN C 23 3.710 7.043 4.715 1.00 0.00 H new ATOM 0 HG3 GLN C 23 4.708 7.945 3.592 1.00 0.00 H new ATOM 0 HE21 GLN C 23 3.874 9.829 4.856 1.00 0.00 H new ATOM 0 HE22 GLN C 23 2.332 10.529 4.350 1.00 0.00 H new ATOM 343 N GLN C 24 6.089 5.396 4.277 1.00 0.00 N ATOM 344 CA GLN C 24 7.428 5.558 4.803 1.00 0.00 C ATOM 345 C GLN C 24 8.226 4.285 4.500 1.00 0.00 C ATOM 346 O GLN C 24 9.377 4.398 4.099 1.00 0.00 O ATOM 347 CB GLN C 24 7.335 5.849 6.306 1.00 0.00 C ATOM 348 CG GLN C 24 8.624 6.449 6.876 1.00 0.00 C ATOM 349 CD GLN C 24 8.489 6.779 8.363 1.00 0.00 C ATOM 350 OE1 GLN C 24 7.395 6.859 8.918 1.00 0.00 O ATOM 351 NE2 GLN C 24 9.593 7.062 9.026 1.00 0.00 N ATOM 0 H GLN C 24 5.402 5.210 5.007 1.00 0.00 H new ATOM 0 HA GLN C 24 7.946 6.396 4.337 1.00 0.00 H new ATOM 0 HB2 GLN C 24 6.509 6.536 6.488 1.00 0.00 H new ATOM 0 HB3 GLN C 24 7.104 4.925 6.837 1.00 0.00 H new ATOM 0 HG2 GLN C 24 9.446 5.747 6.733 1.00 0.00 H new ATOM 0 HG3 GLN C 24 8.878 7.354 6.325 1.00 0.00 H new ATOM 0 HE21 GLN C 24 10.498 6.994 8.561 1.00 0.00 H new ATOM 0 HE22 GLN C 24 9.542 7.349 10.004 1.00 0.00 H new ATOM 360 N TYR C 25 7.639 3.084 4.617 1.00 0.00 N ATOM 361 CA TYR C 25 8.339 1.830 4.317 1.00 0.00 C ATOM 362 C TYR C 25 8.835 1.863 2.868 1.00 0.00 C ATOM 363 O TYR C 25 10.020 1.629 2.618 1.00 0.00 O ATOM 364 CB TYR C 25 7.458 0.588 4.577 1.00 0.00 C ATOM 365 CG TYR C 25 7.980 -0.711 3.963 1.00 0.00 C ATOM 366 CD1 TYR C 25 9.343 -1.052 4.069 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.120 -1.566 3.242 1.00 0.00 C ATOM 368 CE1 TYR C 25 9.851 -2.203 3.444 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.628 -2.711 2.602 1.00 0.00 C ATOM 370 CZ TYR C 25 8.998 -3.026 2.681 1.00 0.00 C ATOM 371 OH TYR C 25 9.488 -4.103 2.001 1.00 0.00 O ATOM 0 H TYR C 25 6.673 2.957 4.920 1.00 0.00 H new ATOM 0 HA TYR C 25 9.191 1.745 4.992 1.00 0.00 H new ATOM 0 HB2 TYR C 25 7.359 0.450 5.654 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.459 0.781 4.187 1.00 0.00 H new ATOM 0 HD1 TYR C 25 10.007 -0.419 4.639 1.00 0.00 H new ATOM 0 HD2 TYR C 25 6.066 -1.340 3.181 1.00 0.00 H new ATOM 0 HE1 TYR C 25 10.895 -2.457 3.548 1.00 0.00 H new ATOM 0 HE2 TYR C 25 6.962 -3.354 2.046 1.00 0.00 H new ATOM 0 HH TYR C 25 8.756 -4.554 1.532 1.00 0.00 H new ATOM 381 N LEU C 26 7.973 2.245 1.914 1.00 0.00 N ATOM 382 CA LEU C 26 8.379 2.308 0.507 1.00 0.00 C ATOM 383 C LEU C 26 9.501 3.342 0.310 1.00 0.00 C ATOM 384 O LEU C 26 10.329 3.205 -0.599 1.00 0.00 O ATOM 385 CB LEU C 26 7.171 2.569 -0.415 1.00 0.00 C ATOM 386 CG LEU C 26 7.063 1.536 -1.557 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.817 1.831 -2.397 1.00 0.00 C ATOM 388 CD2 LEU C 26 8.286 1.497 -2.479 1.00 0.00 C ATOM 0 H LEU C 26 7.004 2.511 2.090 1.00 0.00 H new ATOM 0 HA LEU C 26 8.782 1.336 0.222 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.256 2.548 0.177 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.253 3.569 -0.841 1.00 0.00 H new ATOM 0 HG LEU C 26 6.999 0.559 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU C 26 5.741 1.102 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU C 26 4.930 1.769 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU C 26 5.892 2.833 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU C 26 8.133 0.747 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU C 26 8.424 2.474 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU C 26 9.172 1.242 -1.898 1.00 0.00 H new ATOM 400 N ASN C 27 9.528 4.394 1.138 1.00 0.00 N ATOM 401 CA ASN C 27 10.560 5.424 1.085 1.00 0.00 C ATOM 402 C ASN C 27 11.886 4.765 1.481 1.00 0.00 C ATOM 403 O ASN C 27 12.873 4.992 0.791 1.00 0.00 O ATOM 404 CB ASN C 27 10.243 6.631 1.992 1.00 0.00 C ATOM 405 CG ASN C 27 9.599 7.793 1.258 1.00 0.00 C ATOM 406 OD1 ASN C 27 8.297 7.746 1.016 1.00 0.00 O flip ATOM 407 ND2 ASN C 27 10.262 8.754 0.894 1.00 0.00 N flip ATOM 0 H ASN C 27 8.829 4.551 1.865 1.00 0.00 H new ATOM 0 HA ASN C 27 10.615 5.829 0.074 1.00 0.00 H new ATOM 0 HB2 ASN C 27 9.580 6.307 2.794 1.00 0.00 H new ATOM 0 HB3 ASN C 27 11.165 6.975 2.460 1.00 0.00 H new ATOM 0 HD21 ASN C 27 11.264 8.784 1.084 1.00 0.00 H new ATOM 0 HD22 ASN C 27 9.813 9.526 0.401 1.00 0.00 H new ATOM 414 N VAL C 28 11.918 3.891 2.499 1.00 0.00 N ATOM 415 CA VAL C 28 13.142 3.201 2.923 1.00 0.00 C ATOM 416 C VAL C 28 13.620 2.261 1.811 1.00 0.00 C ATOM 417 O VAL C 28 14.793 2.318 1.438 1.00 0.00 O ATOM 418 CB VAL C 28 12.946 2.390 4.226 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.295 1.890 4.773 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.268 3.178 5.348 1.00 0.00 C ATOM 0 H VAL C 28 11.096 3.644 3.050 1.00 0.00 H new ATOM 0 HA VAL C 28 13.889 3.970 3.121 1.00 0.00 H new ATOM 0 HB VAL C 28 12.297 1.562 3.940 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.129 1.323 5.689 1.00 0.00 H new ATOM 0 HG12 VAL C 28 14.773 1.250 4.032 1.00 0.00 H new ATOM 0 HG13 VAL C 28 14.940 2.743 4.986 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.165 2.543 6.228 1.00 0.00 H new ATOM 0 HG22 VAL C 28 12.873 4.049 5.598 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.281 3.504 5.019 1.00 0.00 H new ATOM 430 N VAL C 29 12.718 1.453 1.238 1.00 0.00 N ATOM 431 CA VAL C 29 13.016 0.492 0.172 1.00 0.00 C ATOM 432 C VAL C 29 13.746 1.188 -0.973 1.00 0.00 C ATOM 433 O VAL C 29 14.810 0.739 -1.409 1.00 0.00 O ATOM 434 CB VAL C 29 11.705 -0.170 -0.310 1.00 0.00 C ATOM 435 CG1 VAL C 29 11.857 -1.020 -1.580 1.00 0.00 C ATOM 436 CG2 VAL C 29 11.115 -1.077 0.770 1.00 0.00 C ATOM 0 H VAL C 29 11.735 1.451 1.512 1.00 0.00 H new ATOM 0 HA VAL C 29 13.672 -0.290 0.555 1.00 0.00 H new ATOM 0 HB VAL C 29 11.048 0.671 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL C 29 10.891 -1.448 -1.849 1.00 0.00 H new ATOM 0 HG12 VAL C 29 12.217 -0.394 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL C 29 12.571 -1.823 -1.397 1.00 0.00 H new ATOM 0 HG21 VAL C 29 10.194 -1.529 0.402 1.00 0.00 H new ATOM 0 HG22 VAL C 29 11.830 -1.861 1.017 1.00 0.00 H new ATOM 0 HG23 VAL C 29 10.900 -0.488 1.662 1.00 0.00 H new ATOM 446 N THR C 30 13.190 2.295 -1.453 1.00 0.00 N ATOM 447 CA THR C 30 13.755 3.066 -2.550 1.00 0.00 C ATOM 448 C THR C 30 14.785 4.089 -2.085 1.00 0.00 C ATOM 449 O THR C 30 15.321 4.821 -2.910 1.00 0.00 O ATOM 450 CB THR C 30 12.601 3.781 -3.280 1.00 0.00 C ATOM 451 OG1 THR C 30 11.895 4.641 -2.395 1.00 0.00 O ATOM 452 CG2 THR C 30 11.618 2.780 -3.892 1.00 0.00 C ATOM 0 H THR C 30 12.323 2.686 -1.085 1.00 0.00 H new ATOM 0 HA THR C 30 14.279 2.379 -3.215 1.00 0.00 H new ATOM 0 HB THR C 30 13.049 4.370 -4.080 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.260 4.115 -1.866 1.00 0.00 H new ATOM 0 HG21 THR C 30 10.818 3.319 -4.399 1.00 0.00 H new ATOM 0 HG22 THR C 30 12.141 2.149 -4.610 1.00 0.00 H new ATOM 0 HG23 THR C 30 11.194 2.158 -3.104 1.00 0.00 H new ATOM 460 N ARG C 31 15.077 4.152 -0.783 1.00 0.00 N ATOM 461 CA ARG C 31 15.981 5.106 -0.142 1.00 0.00 C ATOM 462 C ARG C 31 15.615 6.517 -0.630 1.00 0.00 C ATOM 463 O ARG C 31 16.492 7.364 -0.801 1.00 0.00 O ATOM 464 CB ARG C 31 17.439 4.680 -0.361 1.00 0.00 C ATOM 465 CG ARG C 31 17.768 3.369 0.371 1.00 0.00 C ATOM 466 CD ARG C 31 19.216 2.916 0.149 1.00 0.00 C ATOM 467 NE ARG C 31 20.172 3.732 0.916 1.00 0.00 N ATOM 468 CZ ARG C 31 21.425 3.413 1.257 1.00 0.00 C ATOM 469 NH1 ARG C 31 21.930 2.214 0.991 1.00 0.00 N ATOM 470 NH2 ARG C 31 22.175 4.301 1.894 1.00 0.00 N ATOM 0 H ARG C 31 14.666 3.502 -0.113 1.00 0.00 H new ATOM 0 HA ARG C 31 15.868 5.121 0.942 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.625 4.557 -1.428 1.00 0.00 H new ATOM 0 HB3 ARG C 31 18.105 5.469 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG C 31 17.592 3.500 1.439 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.090 2.587 0.029 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.317 1.870 0.439 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.457 2.977 -0.912 1.00 0.00 H new ATOM 0 HE ARG C 31 19.840 4.646 1.223 1.00 0.00 H new ATOM 0 HH11 ARG C 31 21.359 1.514 0.517 1.00 0.00 H new ATOM 0 HH12 ARG C 31 22.889 1.993 1.261 1.00 0.00 H new ATOM 0 HH21 ARG C 31 21.795 5.220 2.121 1.00 0.00 H new ATOM 0 HH22 ARG C 31 23.132 4.065 2.157 1.00 0.00 H new ATOM 484 N HIS C 32 14.318 6.760 -0.857 1.00 0.00 N ATOM 485 CA HIS C 32 13.711 7.983 -1.350 1.00 0.00 C ATOM 486 C HIS C 32 14.391 8.377 -2.675 1.00 0.00 C ATOM 487 O HIS C 32 15.047 9.415 -2.782 1.00 0.00 O ATOM 488 CB HIS C 32 13.701 9.038 -0.230 1.00 0.00 C ATOM 489 CG HIS C 32 12.929 10.296 -0.535 1.00 0.00 C ATOM 490 ND1 HIS C 32 11.749 10.396 -1.217 1.00 0.00 N flip ATOM 491 CD2 HIS C 32 13.288 11.565 -0.151 1.00 0.00 C flip ATOM 492 CE1 HIS C 32 11.432 11.756 -1.326 1.00 0.00 C flip ATOM 493 NE2 HIS C 32 12.374 12.418 -0.631 1.00 0.00 N flip ATOM 0 H HIS C 32 13.616 6.041 -0.683 1.00 0.00 H new ATOM 0 HA HIS C 32 12.659 7.861 -1.606 1.00 0.00 H new ATOM 0 HB2 HIS C 32 13.284 8.585 0.669 1.00 0.00 H new ATOM 0 HB3 HIS C 32 14.731 9.310 -0.001 1.00 0.00 H new ATOM 0 HD2 HIS C 32 14.156 11.829 0.435 1.00 0.00 H new ATOM 0 HE1 HIS C 32 10.598 12.187 -1.861 1.00 0.00 H new ATOM 0 HE2 HIS C 32 12.390 13.428 -0.489 1.00 0.00 H new ATOM 501 N ARG C 33 14.249 7.518 -3.697 1.00 0.00 N ATOM 502 CA ARG C 33 14.812 7.669 -5.050 1.00 0.00 C ATOM 503 C ARG C 33 13.756 7.334 -6.112 1.00 0.00 C ATOM 504 O ARG C 33 14.090 6.694 -7.115 1.00 0.00 O ATOM 505 CB ARG C 33 16.056 6.766 -5.244 1.00 0.00 C ATOM 506 CG ARG C 33 17.182 6.968 -4.226 1.00 0.00 C ATOM 507 CD ARG C 33 18.315 5.946 -4.384 1.00 0.00 C ATOM 508 NE ARG C 33 19.282 6.365 -5.412 1.00 0.00 N ATOM 509 CZ ARG C 33 20.582 6.048 -5.450 1.00 0.00 C ATOM 510 NH1 ARG C 33 21.067 5.082 -4.672 1.00 0.00 N ATOM 511 NH2 ARG C 33 21.400 6.722 -6.251 1.00 0.00 N ATOM 0 H ARG C 33 13.712 6.656 -3.598 1.00 0.00 H new ATOM 0 HA ARG C 33 15.119 8.708 -5.166 1.00 0.00 H new ATOM 0 HB2 ARG C 33 15.737 5.724 -5.205 1.00 0.00 H new ATOM 0 HB3 ARG C 33 16.457 6.939 -6.243 1.00 0.00 H new ATOM 0 HG2 ARG C 33 17.588 7.974 -4.335 1.00 0.00 H new ATOM 0 HG3 ARG C 33 16.772 6.897 -3.218 1.00 0.00 H new ATOM 0 HD2 ARG C 33 18.828 5.820 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG C 33 17.896 4.976 -4.651 1.00 0.00 H new ATOM 0 HE ARG C 33 18.928 6.953 -6.167 1.00 0.00 H new ATOM 0 HH11 ARG C 33 20.446 4.576 -4.040 1.00 0.00 H new ATOM 0 HH12 ARG C 33 22.059 4.848 -4.708 1.00 0.00 H new ATOM 0 HH21 ARG C 33 21.037 7.477 -6.833 1.00 0.00 H new ATOM 0 HH22 ARG C 33 22.391 6.485 -6.284 1.00 0.00 H new ATOM 525 N TYR C 34 12.486 7.676 -5.879 1.00 0.00 N ATOM 526 CA TYR C 34 11.392 7.397 -6.808 1.00 0.00 C ATOM 527 C TYR C 34 11.648 7.932 -8.221 1.00 0.00 C ATOM 528 O TYR C 34 11.186 7.354 -9.198 1.00 0.00 O ATOM 529 CB TYR C 34 10.095 8.003 -6.264 1.00 0.00 C ATOM 530 CG TYR C 34 9.655 7.472 -4.913 1.00 0.00 C ATOM 531 CD1 TYR C 34 9.245 6.134 -4.791 1.00 0.00 C ATOM 532 CD2 TYR C 34 9.606 8.320 -3.791 1.00 0.00 C ATOM 533 CE1 TYR C 34 8.753 5.649 -3.568 1.00 0.00 C ATOM 534 CE2 TYR C 34 9.142 7.835 -2.555 1.00 0.00 C ATOM 535 CZ TYR C 34 8.697 6.499 -2.444 1.00 0.00 C ATOM 536 OH TYR C 34 8.188 6.036 -1.271 1.00 0.00 O ATOM 0 H TYR C 34 12.187 8.159 -5.032 1.00 0.00 H new ATOM 0 HA TYR C 34 11.313 6.313 -6.887 1.00 0.00 H new ATOM 0 HB2 TYR C 34 10.220 9.083 -6.189 1.00 0.00 H new ATOM 0 HB3 TYR C 34 9.298 7.823 -6.985 1.00 0.00 H new ATOM 0 HD1 TYR C 34 9.308 5.474 -5.643 1.00 0.00 H new ATOM 0 HD2 TYR C 34 9.926 9.348 -3.879 1.00 0.00 H new ATOM 0 HE1 TYR C 34 8.418 4.625 -3.488 1.00 0.00 H new ATOM 0 HE2 TYR C 34 9.126 8.484 -1.692 1.00 0.00 H new ATOM 0 HH TYR C 34 8.133 6.771 -0.625 1.00 0.00 H new ATOM 670 N PRO D 11 7.218 -7.343 -7.763 1.00 0.00 N ATOM 671 CA PRO D 11 8.407 -6.951 -7.020 1.00 0.00 C ATOM 672 C PRO D 11 8.250 -5.518 -6.494 1.00 0.00 C ATOM 673 O PRO D 11 7.381 -4.773 -6.956 1.00 0.00 O ATOM 674 CB PRO D 11 9.552 -7.095 -8.023 1.00 0.00 C ATOM 675 CG PRO D 11 8.892 -6.810 -9.370 1.00 0.00 C ATOM 676 CD PRO D 11 7.502 -7.416 -9.192 1.00 0.00 C ATOM 0 HA PRO D 11 8.590 -7.563 -6.137 1.00 0.00 H new ATOM 0 HB2 PRO D 11 10.357 -6.391 -7.815 1.00 0.00 H new ATOM 0 HB3 PRO D 11 9.987 -8.094 -7.994 1.00 0.00 H new ATOM 0 HG2 PRO D 11 8.845 -5.742 -9.581 1.00 0.00 H new ATOM 0 HG3 PRO D 11 9.434 -7.274 -10.194 1.00 0.00 H new ATOM 0 HD2 PRO D 11 6.758 -6.865 -9.767 1.00 0.00 H new ATOM 0 HD3 PRO D 11 7.477 -8.447 -9.544 1.00 0.00 H new ATOM 684 N VAL D 12 9.159 -5.088 -5.612 1.00 0.00 N ATOM 685 CA VAL D 12 9.127 -3.741 -5.037 1.00 0.00 C ATOM 686 C VAL D 12 9.106 -2.648 -6.110 1.00 0.00 C ATOM 687 O VAL D 12 8.468 -1.623 -5.909 1.00 0.00 O ATOM 688 CB VAL D 12 10.298 -3.507 -4.058 1.00 0.00 C ATOM 689 CG1 VAL D 12 9.999 -4.118 -2.687 1.00 0.00 C ATOM 690 CG2 VAL D 12 11.655 -4.036 -4.546 1.00 0.00 C ATOM 0 H VAL D 12 9.934 -5.662 -5.279 1.00 0.00 H new ATOM 0 HA VAL D 12 8.194 -3.675 -4.478 1.00 0.00 H new ATOM 0 HB VAL D 12 10.383 -2.422 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL D 12 10.840 -3.939 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL D 12 9.101 -3.660 -2.272 1.00 0.00 H new ATOM 0 HG13 VAL D 12 9.843 -5.191 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL D 12 12.418 -3.828 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL D 12 11.589 -5.112 -4.708 1.00 0.00 H new ATOM 0 HG23 VAL D 12 11.922 -3.544 -5.481 1.00 0.00 H new ATOM 700 N GLU D 13 9.761 -2.864 -7.250 1.00 0.00 N ATOM 701 CA GLU D 13 9.821 -1.908 -8.347 1.00 0.00 C ATOM 702 C GLU D 13 8.429 -1.615 -8.899 1.00 0.00 C ATOM 703 O GLU D 13 8.065 -0.452 -9.056 1.00 0.00 O ATOM 704 CB GLU D 13 10.750 -2.485 -9.424 1.00 0.00 C ATOM 705 CG GLU D 13 11.863 -1.506 -9.785 1.00 0.00 C ATOM 706 CD GLU D 13 12.894 -2.223 -10.641 1.00 0.00 C ATOM 707 OE1 GLU D 13 13.678 -3.033 -10.082 1.00 0.00 O ATOM 708 OE2 GLU D 13 12.845 -2.095 -11.882 1.00 0.00 O ATOM 0 H GLU D 13 10.273 -3.726 -7.437 1.00 0.00 H new ATOM 0 HA GLU D 13 10.216 -0.955 -7.995 1.00 0.00 H new ATOM 0 HB2 GLU D 13 11.186 -3.418 -9.068 1.00 0.00 H new ATOM 0 HB3 GLU D 13 10.171 -2.724 -10.316 1.00 0.00 H new ATOM 0 HG2 GLU D 13 11.453 -0.652 -10.325 1.00 0.00 H new ATOM 0 HG3 GLU D 13 12.330 -1.116 -8.880 1.00 0.00 H new ATOM 715 N ASP D 14 7.648 -2.661 -9.168 1.00 0.00 N ATOM 716 CA ASP D 14 6.290 -2.532 -9.684 1.00 0.00 C ATOM 717 C ASP D 14 5.416 -1.963 -8.574 1.00 0.00 C ATOM 718 O ASP D 14 4.555 -1.122 -8.839 1.00 0.00 O ATOM 719 CB ASP D 14 5.742 -3.890 -10.140 1.00 0.00 C ATOM 720 CG ASP D 14 6.287 -4.322 -11.500 1.00 0.00 C ATOM 721 OD1 ASP D 14 7.528 -4.345 -11.663 1.00 0.00 O ATOM 722 OD2 ASP D 14 5.518 -4.963 -12.248 1.00 0.00 O ATOM 0 H ASP D 14 7.944 -3.628 -9.032 1.00 0.00 H new ATOM 0 HA ASP D 14 6.290 -1.870 -10.550 1.00 0.00 H new ATOM 0 HB2 ASP D 14 5.993 -4.646 -9.396 1.00 0.00 H new ATOM 0 HB3 ASP D 14 4.654 -3.840 -10.189 1.00 0.00 H new ATOM 727 N LEU D 15 5.671 -2.381 -7.324 1.00 0.00 N ATOM 728 CA LEU D 15 4.930 -1.913 -6.164 1.00 0.00 C ATOM 729 C LEU D 15 5.038 -0.393 -6.068 1.00 0.00 C ATOM 730 O LEU D 15 4.047 0.211 -5.699 1.00 0.00 O ATOM 731 CB LEU D 15 5.405 -2.574 -4.863 1.00 0.00 C ATOM 732 CG LEU D 15 4.421 -2.303 -3.703 1.00 0.00 C ATOM 733 CD1 LEU D 15 3.382 -3.412 -3.549 1.00 0.00 C ATOM 734 CD2 LEU D 15 5.184 -2.136 -2.391 1.00 0.00 C ATOM 0 H LEU D 15 6.402 -3.056 -7.099 1.00 0.00 H new ATOM 0 HA LEU D 15 3.886 -2.198 -6.296 1.00 0.00 H new ATOM 0 HB2 LEU D 15 5.505 -3.649 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU D 15 6.393 -2.196 -4.600 1.00 0.00 H new ATOM 0 HG LEU D 15 3.891 -1.382 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU D 15 2.715 -3.173 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU D 15 2.802 -3.498 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU D 15 3.886 -4.357 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU D 15 4.479 -1.946 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU D 15 5.744 -3.046 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.874 -1.297 -2.476 1.00 0.00 H new ATOM 746 N ILE D 16 6.155 0.249 -6.432 1.00 0.00 N ATOM 747 CA ILE D 16 6.287 1.712 -6.376 1.00 0.00 C ATOM 748 C ILE D 16 5.162 2.348 -7.206 1.00 0.00 C ATOM 749 O ILE D 16 4.527 3.315 -6.773 1.00 0.00 O ATOM 750 CB ILE D 16 7.671 2.150 -6.916 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.839 1.707 -6.017 1.00 0.00 C ATOM 752 CG2 ILE D 16 7.772 3.669 -7.121 1.00 0.00 C ATOM 753 CD1 ILE D 16 10.177 1.652 -6.771 1.00 0.00 C ATOM 0 H ILE D 16 6.990 -0.228 -6.772 1.00 0.00 H new ATOM 0 HA ILE D 16 6.207 2.045 -5.341 1.00 0.00 H new ATOM 0 HB ILE D 16 7.754 1.646 -7.879 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.928 2.396 -5.177 1.00 0.00 H new ATOM 0 HG13 ILE D 16 8.620 0.724 -5.601 1.00 0.00 H new ATOM 0 HG21 ILE D 16 8.763 3.920 -7.500 1.00 0.00 H new ATOM 0 HG22 ILE D 16 7.017 3.990 -7.838 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.609 4.176 -6.170 1.00 0.00 H new ATOM 0 HD11 ILE D 16 10.966 1.334 -6.089 1.00 0.00 H new ATOM 0 HD12 ILE D 16 10.101 0.942 -7.595 1.00 0.00 H new ATOM 0 HD13 ILE D 16 10.414 2.641 -7.164 1.00 0.00 H new ATOM 765 N ARG D 17 5.005 1.895 -8.453 1.00 0.00 N ATOM 766 CA ARG D 17 3.998 2.394 -9.381 1.00 0.00 C ATOM 767 C ARG D 17 2.609 2.121 -8.832 1.00 0.00 C ATOM 768 O ARG D 17 1.840 3.059 -8.617 1.00 0.00 O ATOM 769 CB ARG D 17 4.203 1.722 -10.756 1.00 0.00 C ATOM 770 CG ARG D 17 3.993 2.670 -11.939 1.00 0.00 C ATOM 771 CD ARG D 17 5.189 3.620 -12.102 1.00 0.00 C ATOM 772 NE ARG D 17 5.410 3.935 -13.513 1.00 0.00 N ATOM 773 CZ ARG D 17 6.512 4.448 -14.063 1.00 0.00 C ATOM 774 NH1 ARG D 17 7.488 4.968 -13.321 1.00 0.00 N ATOM 775 NH2 ARG D 17 6.612 4.421 -15.383 1.00 0.00 N ATOM 0 H ARG D 17 5.588 1.157 -8.849 1.00 0.00 H new ATOM 0 HA ARG D 17 4.101 3.472 -9.502 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.212 1.313 -10.804 1.00 0.00 H new ATOM 0 HB3 ARG D 17 3.514 0.883 -10.847 1.00 0.00 H new ATOM 0 HG2 ARG D 17 3.856 2.092 -12.853 1.00 0.00 H new ATOM 0 HG3 ARG D 17 3.082 3.249 -11.788 1.00 0.00 H new ATOM 0 HD2 ARG D 17 5.009 4.538 -11.543 1.00 0.00 H new ATOM 0 HD3 ARG D 17 6.084 3.161 -11.682 1.00 0.00 H new ATOM 0 HE ARG D 17 4.635 3.741 -14.147 1.00 0.00 H new ATOM 0 HH11 ARG D 17 7.404 4.981 -12.305 1.00 0.00 H new ATOM 0 HH12 ARG D 17 8.319 5.353 -13.769 1.00 0.00 H new ATOM 0 HH21 ARG D 17 5.861 4.017 -15.943 1.00 0.00 H new ATOM 0 HH22 ARG D 17 7.440 4.804 -15.840 1.00 0.00 H new ATOM 789 N PHE D 18 2.331 0.842 -8.598 1.00 0.00 N ATOM 790 CA PHE D 18 1.080 0.324 -8.091 1.00 0.00 C ATOM 791 C PHE D 18 0.632 1.045 -6.824 1.00 0.00 C ATOM 792 O PHE D 18 -0.496 1.507 -6.782 1.00 0.00 O ATOM 793 CB PHE D 18 1.254 -1.179 -7.872 1.00 0.00 C ATOM 794 CG PHE D 18 0.238 -1.813 -6.955 1.00 0.00 C ATOM 795 CD1 PHE D 18 -1.092 -1.990 -7.377 1.00 0.00 C ATOM 796 CD2 PHE D 18 0.638 -2.213 -5.668 1.00 0.00 C ATOM 797 CE1 PHE D 18 -2.013 -2.608 -6.516 1.00 0.00 C ATOM 798 CE2 PHE D 18 -0.272 -2.863 -4.826 1.00 0.00 C ATOM 799 CZ PHE D 18 -1.590 -3.074 -5.261 1.00 0.00 C ATOM 0 H PHE D 18 3.015 0.105 -8.769 1.00 0.00 H new ATOM 0 HA PHE D 18 0.284 0.501 -8.815 1.00 0.00 H new ATOM 0 HB2 PHE D 18 1.210 -1.679 -8.839 1.00 0.00 H new ATOM 0 HB3 PHE D 18 2.249 -1.359 -7.466 1.00 0.00 H new ATOM 0 HD1 PHE D 18 -1.402 -1.653 -8.355 1.00 0.00 H new ATOM 0 HD2 PHE D 18 1.645 -2.019 -5.330 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -3.043 -2.724 -6.818 1.00 0.00 H new ATOM 0 HE2 PHE D 18 0.038 -3.200 -3.848 1.00 0.00 H new ATOM 0 HZ PHE D 18 -2.285 -3.600 -4.624 1.00 0.00 H new ATOM 809 N TYR D 19 1.493 1.167 -5.815 1.00 0.00 N ATOM 810 CA TYR D 19 1.242 1.808 -4.528 1.00 0.00 C ATOM 811 C TYR D 19 0.625 3.197 -4.676 1.00 0.00 C ATOM 812 O TYR D 19 -0.375 3.511 -4.030 1.00 0.00 O ATOM 813 CB TYR D 19 2.567 1.910 -3.749 1.00 0.00 C ATOM 814 CG TYR D 19 2.504 2.890 -2.602 1.00 0.00 C ATOM 815 CD1 TYR D 19 1.821 2.545 -1.424 1.00 0.00 C ATOM 816 CD2 TYR D 19 2.997 4.197 -2.779 1.00 0.00 C ATOM 817 CE1 TYR D 19 1.599 3.516 -0.438 1.00 0.00 C ATOM 818 CE2 TYR D 19 2.742 5.181 -1.812 1.00 0.00 C ATOM 819 CZ TYR D 19 2.024 4.842 -0.644 1.00 0.00 C ATOM 820 OH TYR D 19 1.686 5.796 0.258 1.00 0.00 O ATOM 0 H TYR D 19 2.442 0.798 -5.880 1.00 0.00 H new ATOM 0 HA TYR D 19 0.523 1.194 -3.986 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.832 0.925 -3.364 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.362 2.210 -4.432 1.00 0.00 H new ATOM 0 HD1 TYR D 19 1.468 1.535 -1.279 1.00 0.00 H new ATOM 0 HD2 TYR D 19 3.572 4.442 -3.660 1.00 0.00 H new ATOM 0 HE1 TYR D 19 1.101 3.246 0.482 1.00 0.00 H new ATOM 0 HE2 TYR D 19 3.093 6.192 -1.960 1.00 0.00 H new ATOM 0 HH TYR D 19 0.718 5.777 0.407 1.00 0.00 H new ATOM 830 N ASN D 20 1.234 4.031 -5.519 1.00 0.00 N ATOM 831 CA ASN D 20 0.756 5.387 -5.722 1.00 0.00 C ATOM 832 C ASN D 20 -0.636 5.393 -6.339 1.00 0.00 C ATOM 833 O ASN D 20 -1.452 6.236 -5.975 1.00 0.00 O ATOM 834 CB ASN D 20 1.774 6.163 -6.563 1.00 0.00 C ATOM 835 CG ASN D 20 1.736 7.657 -6.256 1.00 0.00 C ATOM 836 OD1 ASN D 20 0.681 8.294 -6.233 1.00 0.00 O ATOM 837 ND2 ASN D 20 2.877 8.222 -5.908 1.00 0.00 N ATOM 0 H ASN D 20 2.058 3.786 -6.069 1.00 0.00 H new ATOM 0 HA ASN D 20 0.662 5.888 -4.758 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.775 5.777 -6.370 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.569 6.003 -7.622 1.00 0.00 H new ATOM 0 HD21 ASN D 20 2.894 9.199 -5.615 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.742 7.682 -5.932 1.00 0.00 H new ATOM 844 N ASP D 21 -0.926 4.478 -7.263 1.00 0.00 N ATOM 845 CA ASP D 21 -2.234 4.373 -7.915 1.00 0.00 C ATOM 846 C ASP D 21 -3.248 3.672 -6.993 1.00 0.00 C ATOM 847 O ASP D 21 -4.445 3.970 -7.030 1.00 0.00 O ATOM 848 CB ASP D 21 -2.091 3.649 -9.264 1.00 0.00 C ATOM 849 CG ASP D 21 -2.322 4.611 -10.430 1.00 0.00 C ATOM 850 OD1 ASP D 21 -1.420 5.425 -10.749 1.00 0.00 O ATOM 851 OD2 ASP D 21 -3.405 4.547 -11.049 1.00 0.00 O ATOM 0 H ASP D 21 -0.254 3.781 -7.584 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.617 5.375 -8.110 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.096 3.210 -9.342 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -2.806 2.828 -9.318 1.00 0.00 H new ATOM 856 N LEU D 22 -2.768 2.822 -6.075 1.00 0.00 N ATOM 857 CA LEU D 22 -3.517 2.058 -5.080 1.00 0.00 C ATOM 858 C LEU D 22 -4.237 2.995 -4.106 1.00 0.00 C ATOM 859 O LEU D 22 -5.215 2.584 -3.476 1.00 0.00 O ATOM 860 CB LEU D 22 -2.602 0.992 -4.441 1.00 0.00 C ATOM 861 CG LEU D 22 -3.034 0.480 -3.057 1.00 0.00 C ATOM 862 CD1 LEU D 22 -2.628 -0.972 -2.839 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.419 1.332 -1.953 1.00 0.00 C ATOM 0 H LEU D 22 -1.767 2.640 -6.008 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.324 1.494 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -2.540 0.141 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -1.597 1.406 -4.357 1.00 0.00 H new ATOM 0 HG LEU D 22 -4.121 0.550 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -2.951 -1.296 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -3.097 -1.599 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -1.544 -1.062 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -2.737 0.953 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -1.332 1.288 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -2.748 2.365 -2.065 1.00 0.00 H new ATOM 875 N GLN D 23 -3.849 4.277 -4.065 1.00 0.00 N ATOM 876 CA GLN D 23 -4.485 5.275 -3.217 1.00 0.00 C ATOM 877 C GLN D 23 -6.002 5.252 -3.500 1.00 0.00 C ATOM 878 O GLN D 23 -6.813 5.299 -2.578 1.00 0.00 O ATOM 879 CB GLN D 23 -3.850 6.665 -3.468 1.00 0.00 C ATOM 880 CG GLN D 23 -4.197 7.270 -4.840 1.00 0.00 C ATOM 881 CD GLN D 23 -3.595 8.647 -5.118 1.00 0.00 C ATOM 882 OE1 GLN D 23 -4.321 9.579 -5.448 1.00 0.00 O ATOM 883 NE2 GLN D 23 -2.286 8.782 -5.199 1.00 0.00 N ATOM 0 H GLN D 23 -3.080 4.645 -4.625 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.330 5.051 -2.162 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -4.178 7.350 -2.686 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.767 6.580 -3.383 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -3.863 6.582 -5.617 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -5.281 7.342 -4.923 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -1.676 8.011 -4.926 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -1.883 9.657 -5.534 1.00 0.00 H new ATOM 892 N GLN D 24 -6.379 5.066 -4.776 1.00 0.00 N ATOM 893 CA GLN D 24 -7.754 5.019 -5.234 1.00 0.00 C ATOM 894 C GLN D 24 -8.478 3.782 -4.708 1.00 0.00 C ATOM 895 O GLN D 24 -9.645 3.911 -4.349 1.00 0.00 O ATOM 896 CB GLN D 24 -7.814 5.031 -6.767 1.00 0.00 C ATOM 897 CG GLN D 24 -7.332 6.352 -7.378 1.00 0.00 C ATOM 898 CD GLN D 24 -7.493 6.334 -8.896 1.00 0.00 C ATOM 899 OE1 GLN D 24 -7.036 5.412 -9.571 1.00 0.00 O ATOM 900 NE2 GLN D 24 -8.218 7.272 -9.475 1.00 0.00 N ATOM 0 H GLN D 24 -5.705 4.942 -5.531 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.255 5.905 -4.844 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -7.205 4.215 -7.155 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -8.839 4.843 -7.086 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -7.899 7.182 -6.957 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -6.286 6.518 -7.120 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -8.599 8.038 -8.919 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -8.398 7.231 -10.478 1.00 0.00 H new ATOM 909 N TYR D 25 -7.856 2.599 -4.722 1.00 0.00 N ATOM 910 CA TYR D 25 -8.450 1.348 -4.254 1.00 0.00 C ATOM 911 C TYR D 25 -8.898 1.473 -2.802 1.00 0.00 C ATOM 912 O TYR D 25 -10.062 1.188 -2.501 1.00 0.00 O ATOM 913 CB TYR D 25 -7.471 0.178 -4.450 1.00 0.00 C ATOM 914 CG TYR D 25 -7.750 -1.041 -3.586 1.00 0.00 C ATOM 915 CD1 TYR D 25 -8.971 -1.730 -3.703 1.00 0.00 C ATOM 916 CD2 TYR D 25 -6.789 -1.486 -2.656 1.00 0.00 C ATOM 917 CE1 TYR D 25 -9.229 -2.859 -2.908 1.00 0.00 C ATOM 918 CE2 TYR D 25 -7.038 -2.616 -1.859 1.00 0.00 C ATOM 919 CZ TYR D 25 -8.262 -3.308 -1.983 1.00 0.00 C ATOM 920 OH TYR D 25 -8.540 -4.363 -1.168 1.00 0.00 O ATOM 0 H TYR D 25 -6.903 2.485 -5.068 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.337 1.138 -4.852 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -7.493 -0.124 -5.497 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.461 0.530 -4.241 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -9.714 -1.389 -4.408 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -5.854 -0.954 -2.555 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -10.168 -3.384 -3.005 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -6.294 -2.954 -1.153 1.00 0.00 H new ATOM 0 HH TYR D 25 -7.768 -4.544 -0.593 1.00 0.00 H new ATOM 930 N LEU D 26 -8.002 1.918 -1.912 1.00 0.00 N ATOM 931 CA LEU D 26 -8.335 2.087 -0.494 1.00 0.00 C ATOM 932 C LEU D 26 -9.503 3.079 -0.373 1.00 0.00 C ATOM 933 O LEU D 26 -10.461 2.856 0.381 1.00 0.00 O ATOM 934 CB LEU D 26 -7.087 2.536 0.288 1.00 0.00 C ATOM 935 CG LEU D 26 -6.951 1.830 1.650 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.608 2.200 2.283 1.00 0.00 C ATOM 937 CD2 LEU D 26 -8.074 2.161 2.638 1.00 0.00 C ATOM 0 H LEU D 26 -7.042 2.167 -2.150 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.655 1.141 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.198 2.337 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.130 3.614 0.445 1.00 0.00 H new ATOM 0 HG LEU D 26 -7.017 0.761 1.447 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.510 1.701 3.247 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.797 1.884 1.627 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.558 3.279 2.426 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -7.906 1.625 3.572 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -8.084 3.234 2.831 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -9.032 1.860 2.214 1.00 0.00 H new ATOM 949 N ASN D 27 -9.493 4.096 -1.246 1.00 0.00 N ATOM 950 CA ASN D 27 -10.526 5.116 -1.316 1.00 0.00 C ATOM 951 C ASN D 27 -11.850 4.448 -1.694 1.00 0.00 C ATOM 952 O ASN D 27 -12.855 4.782 -1.088 1.00 0.00 O ATOM 953 CB ASN D 27 -10.162 6.234 -2.319 1.00 0.00 C ATOM 954 CG ASN D 27 -10.134 7.637 -1.719 1.00 0.00 C ATOM 955 OD1 ASN D 27 -10.033 7.843 -0.517 1.00 0.00 O ATOM 956 ND2 ASN D 27 -10.100 8.658 -2.551 1.00 0.00 N ATOM 0 H ASN D 27 -8.749 4.227 -1.932 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.619 5.593 -0.341 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.184 6.016 -2.748 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -10.880 6.217 -3.139 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -9.991 9.606 -2.191 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -10.183 8.500 -3.555 1.00 0.00 H new ATOM 963 N VAL D 28 -11.895 3.484 -2.626 1.00 0.00 N ATOM 964 CA VAL D 28 -13.138 2.804 -3.009 1.00 0.00 C ATOM 965 C VAL D 28 -13.654 1.955 -1.850 1.00 0.00 C ATOM 966 O VAL D 28 -14.825 2.066 -1.479 1.00 0.00 O ATOM 967 CB VAL D 28 -12.976 1.896 -4.258 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.307 1.207 -4.609 1.00 0.00 C ATOM 969 CG2 VAL D 28 -12.510 2.649 -5.508 1.00 0.00 C ATOM 0 H VAL D 28 -11.073 3.156 -3.133 1.00 0.00 H new ATOM 0 HA VAL D 28 -13.850 3.591 -3.259 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.210 1.171 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.170 0.576 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -14.632 0.594 -3.769 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.063 1.963 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.419 1.951 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -13.237 3.421 -5.760 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -11.542 3.111 -5.315 1.00 0.00 H new ATOM 979 N VAL D 29 -12.805 1.093 -1.288 1.00 0.00 N ATOM 980 CA VAL D 29 -13.135 0.179 -0.196 1.00 0.00 C ATOM 981 C VAL D 29 -13.855 0.870 0.965 1.00 0.00 C ATOM 982 O VAL D 29 -14.837 0.323 1.474 1.00 0.00 O ATOM 983 CB VAL D 29 -11.841 -0.536 0.244 1.00 0.00 C ATOM 984 CG1 VAL D 29 -12.007 -1.391 1.504 1.00 0.00 C ATOM 985 CG2 VAL D 29 -11.351 -1.479 -0.864 1.00 0.00 C ATOM 0 H VAL D 29 -11.835 1.010 -1.592 1.00 0.00 H new ATOM 0 HA VAL D 29 -13.852 -0.560 -0.554 1.00 0.00 H new ATOM 0 HB VAL D 29 -11.131 0.265 0.452 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -11.056 -1.862 1.752 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -12.326 -0.759 2.333 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -12.758 -2.161 1.325 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -10.437 -1.977 -0.540 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -12.117 -2.226 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -11.150 -0.905 -1.768 1.00 0.00 H new ATOM 995 N THR D 30 -13.488 2.111 1.274 1.00 0.00 N ATOM 996 CA THR D 30 -14.069 2.885 2.366 1.00 0.00 C ATOM 997 C THR D 30 -14.799 4.142 1.878 1.00 0.00 C ATOM 998 O THR D 30 -15.263 4.936 2.691 1.00 0.00 O ATOM 999 CB THR D 30 -12.930 3.221 3.342 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.929 3.951 2.662 1.00 0.00 O ATOM 1001 CG2 THR D 30 -12.277 1.977 3.960 1.00 0.00 C ATOM 0 H THR D 30 -12.764 2.616 0.762 1.00 0.00 H new ATOM 0 HA THR D 30 -14.838 2.296 2.866 1.00 0.00 H new ATOM 0 HB THR D 30 -13.375 3.802 4.150 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.465 3.361 2.032 1.00 0.00 H new ATOM 0 HG21 THR D 30 -11.481 2.283 4.639 1.00 0.00 H new ATOM 0 HG22 THR D 30 -13.026 1.409 4.512 1.00 0.00 H new ATOM 0 HG23 THR D 30 -11.859 1.354 3.169 1.00 0.00 H new ATOM 1009 N ARG D 31 -14.987 4.308 0.566 1.00 0.00 N ATOM 1010 CA ARG D 31 -15.624 5.462 -0.074 1.00 0.00 C ATOM 1011 C ARG D 31 -15.027 6.774 0.445 1.00 0.00 C ATOM 1012 O ARG D 31 -15.754 7.732 0.710 1.00 0.00 O ATOM 1013 CB ARG D 31 -17.146 5.353 0.036 1.00 0.00 C ATOM 1014 CG ARG D 31 -17.676 4.277 -0.919 1.00 0.00 C ATOM 1015 CD ARG D 31 -19.134 3.933 -0.628 1.00 0.00 C ATOM 1016 NE ARG D 31 -20.015 5.111 -0.699 1.00 0.00 N ATOM 1017 CZ ARG D 31 -21.254 5.190 -0.204 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -21.829 4.139 0.370 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -21.920 6.328 -0.313 1.00 0.00 N ATOM 0 H ARG D 31 -14.685 3.608 -0.111 1.00 0.00 H new ATOM 0 HA ARG D 31 -15.409 5.465 -1.143 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.426 5.109 1.061 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.604 6.314 -0.199 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -17.583 4.625 -1.948 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -17.065 3.379 -0.830 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -19.477 3.183 -1.341 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -19.208 3.487 0.364 1.00 0.00 H new ATOM 0 HE ARG D 31 -19.647 5.939 -1.167 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -21.324 3.255 0.438 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -22.775 4.216 0.743 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -21.487 7.130 -0.770 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -22.866 6.403 0.060 1.00 0.00 H new ATOM 1033 N HIS D 32 -13.707 6.794 0.661 1.00 0.00 N ATOM 1034 CA HIS D 32 -12.913 7.917 1.154 1.00 0.00 C ATOM 1035 C HIS D 32 -13.282 8.315 2.596 1.00 0.00 C ATOM 1036 O HIS D 32 -12.816 9.334 3.103 1.00 0.00 O ATOM 1037 CB HIS D 32 -12.998 9.065 0.123 1.00 0.00 C ATOM 1038 CG HIS D 32 -12.072 10.242 0.307 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -12.253 11.469 -0.288 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -10.930 10.308 1.061 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -11.249 12.259 0.112 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -10.426 11.610 0.950 1.00 0.00 N ATOM 0 H HIS D 32 -13.131 5.971 0.484 1.00 0.00 H new ATOM 0 HA HIS D 32 -11.866 7.626 1.240 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -12.812 8.643 -0.865 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -14.021 9.440 0.122 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -10.497 9.503 1.636 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -11.118 13.285 -0.199 1.00 0.00 H new ATOM 0 HE2 HIS D 32 -9.600 11.989 1.413 1.00 0.00 H new ATOM 1050 N ARG D 33 -14.062 7.510 3.325 1.00 0.00 N ATOM 1051 CA ARG D 33 -14.491 7.781 4.701 1.00 0.00 C ATOM 1052 C ARG D 33 -13.405 7.392 5.704 1.00 0.00 C ATOM 1053 O ARG D 33 -13.675 6.684 6.675 1.00 0.00 O ATOM 1054 CB ARG D 33 -15.816 7.052 4.983 1.00 0.00 C ATOM 1055 CG ARG D 33 -16.897 7.439 3.967 1.00 0.00 C ATOM 1056 CD ARG D 33 -18.181 6.646 4.161 1.00 0.00 C ATOM 1057 NE ARG D 33 -18.967 7.168 5.279 1.00 0.00 N ATOM 1058 CZ ARG D 33 -20.208 6.806 5.603 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -20.797 5.769 5.010 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -20.826 7.496 6.552 1.00 0.00 N ATOM 0 H ARG D 33 -14.422 6.627 2.964 1.00 0.00 H new ATOM 0 HA ARG D 33 -14.657 8.852 4.817 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -15.654 5.975 4.951 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -16.158 7.293 5.989 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -17.113 8.504 4.057 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -16.520 7.274 2.958 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -18.775 6.683 3.248 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -17.940 5.598 4.342 1.00 0.00 H new ATOM 0 HE ARG D 33 -18.524 7.875 5.865 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -20.298 5.239 4.296 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -21.747 5.505 5.270 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -20.351 8.275 7.008 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -21.777 7.248 6.826 1.00 0.00 H new ATOM 1074 N TYR D 34 -12.160 7.782 5.443 1.00 0.00 N ATOM 1075 CA TYR D 34 -11.035 7.478 6.308 1.00 0.00 C ATOM 1076 C TYR D 34 -11.255 8.083 7.698 1.00 0.00 C ATOM 1077 O TYR D 34 -10.938 7.463 8.709 1.00 0.00 O ATOM 1078 CB TYR D 34 -9.749 8.027 5.683 1.00 0.00 C ATOM 1079 CG TYR D 34 -9.345 7.530 4.301 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -9.914 6.389 3.699 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -8.314 8.212 3.633 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -9.428 5.930 2.461 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -7.836 7.766 2.392 1.00 0.00 C ATOM 1084 CZ TYR D 34 -8.378 6.605 1.808 1.00 0.00 C ATOM 1085 OH TYR D 34 -7.884 6.117 0.639 1.00 0.00 O ATOM 0 H TYR D 34 -11.907 8.323 4.616 1.00 0.00 H new ATOM 0 HA TYR D 34 -10.946 6.397 6.417 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -9.842 9.112 5.631 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -8.929 7.809 6.367 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -10.723 5.867 4.188 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -7.882 9.094 4.082 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -9.864 5.052 2.007 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -7.054 8.312 1.885 1.00 0.00 H new ATOM 0 HH TYR D 34 -8.369 6.516 -0.113 1.00 0.00 H new