USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=9 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= 0.009 K(o=0.019,f=-0.62) USER MOD Set 1.2: D 32 HIS :FLIP no HD1:sc= 0.00952 F(o=-0.83,f=0.019) USER MOD Single : C 19 TYR OH : rot -15:sc= 1.01 USER MOD Single : C 20 ASN : amide:sc= -0.0988 X(o=-0.099,f=-0.5) USER MOD Single : C 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 25 TYR OH : rot 180:sc= 0 USER MOD Single : C 27 ASN : amide:sc= -0.128 K(o=-0.13,f=-1) USER MOD Single : C 30 THR OG1 : rot -74:sc= 1.01 USER MOD Single : C 32 HIS : no HD1:sc= -0.0882 X(o=-0.088,f=-0.006) USER MOD Single : C 34 TYR OH : rot 180:sc= 0 USER MOD Single : D 19 TYR OH : rot 1:sc= 1.07 USER MOD Single : D 20 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : D 23 GLN : amide:sc= 0 X(o=0,f=0.051) 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 -76:sc= 1.15 USER MOD Single : D 34 TYR OH : rot 180:sc= -0.018 USER MOD ----------------------------------------------------------------- ATOM 121 N PRO C 11 -6.677 -7.468 7.681 1.00 0.00 N ATOM 122 CA PRO C 11 -8.003 -6.858 7.717 1.00 0.00 C ATOM 123 C PRO C 11 -7.913 -5.421 7.190 1.00 0.00 C ATOM 124 O PRO C 11 -6.991 -4.686 7.554 1.00 0.00 O ATOM 125 CB PRO C 11 -8.433 -6.914 9.187 1.00 0.00 C ATOM 126 CG PRO C 11 -7.105 -6.879 9.940 1.00 0.00 C ATOM 127 CD PRO C 11 -6.160 -7.656 9.030 1.00 0.00 C ATOM 0 HA PRO C 11 -8.732 -7.371 7.090 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -9.069 -6.070 9.453 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -8.997 -7.820 9.407 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -6.760 -5.857 10.098 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -7.188 -7.343 10.923 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -5.139 -7.284 9.115 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -6.137 -8.712 9.298 1.00 0.00 H new ATOM 135 N VAL C 12 -8.917 -4.981 6.424 1.00 0.00 N ATOM 136 CA VAL C 12 -8.934 -3.633 5.857 1.00 0.00 C ATOM 137 C VAL C 12 -8.829 -2.550 6.926 1.00 0.00 C ATOM 138 O VAL C 12 -8.109 -1.583 6.724 1.00 0.00 O ATOM 139 CB VAL C 12 -10.169 -3.393 4.964 1.00 0.00 C ATOM 140 CG1 VAL C 12 -10.052 -4.187 3.664 1.00 0.00 C ATOM 141 CG2 VAL C 12 -11.514 -3.724 5.631 1.00 0.00 C ATOM 0 H VAL C 12 -9.732 -5.545 6.183 1.00 0.00 H new ATOM 0 HA VAL C 12 -8.046 -3.564 5.228 1.00 0.00 H new ATOM 0 HB VAL C 12 -10.172 -2.321 4.769 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -10.932 -4.006 3.047 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -9.159 -3.872 3.124 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -9.982 -5.251 3.892 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -12.326 -3.525 4.931 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -11.530 -4.776 5.916 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -11.641 -3.106 6.519 1.00 0.00 H new ATOM 151 N GLU C 13 -9.477 -2.726 8.078 1.00 0.00 N ATOM 152 CA GLU C 13 -9.474 -1.762 9.171 1.00 0.00 C ATOM 153 C GLU C 13 -8.061 -1.339 9.561 1.00 0.00 C ATOM 154 O GLU C 13 -7.796 -0.149 9.749 1.00 0.00 O ATOM 155 CB GLU C 13 -10.229 -2.397 10.338 1.00 0.00 C ATOM 156 CG GLU C 13 -10.504 -1.389 11.459 1.00 0.00 C ATOM 157 CD GLU C 13 -11.468 -1.925 12.512 1.00 0.00 C ATOM 158 OE1 GLU C 13 -12.112 -2.978 12.293 1.00 0.00 O ATOM 159 OE2 GLU C 13 -11.736 -1.191 13.486 1.00 0.00 O ATOM 0 H GLU C 13 -10.029 -3.560 8.278 1.00 0.00 H new ATOM 0 HA GLU C 13 -9.969 -0.842 8.861 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -11.173 -2.807 9.979 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -9.650 -3.231 10.734 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -9.563 -1.120 11.938 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -10.915 -0.476 11.028 1.00 0.00 H new ATOM 166 N ASP C 14 -7.164 -2.311 9.669 1.00 0.00 N ATOM 167 CA ASP C 14 -5.779 -2.075 10.023 1.00 0.00 C ATOM 168 C ASP C 14 -5.037 -1.574 8.797 1.00 0.00 C ATOM 169 O ASP C 14 -4.292 -0.603 8.900 1.00 0.00 O ATOM 170 CB ASP C 14 -5.127 -3.364 10.525 1.00 0.00 C ATOM 171 CG ASP C 14 -5.659 -3.754 11.896 1.00 0.00 C ATOM 172 OD1 ASP C 14 -6.823 -4.193 11.996 1.00 0.00 O ATOM 173 OD2 ASP C 14 -4.895 -3.618 12.881 1.00 0.00 O ATOM 0 H ASP C 14 -7.385 -3.294 9.511 1.00 0.00 H new ATOM 0 HA ASP C 14 -5.734 -1.332 10.819 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -5.316 -4.170 9.816 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -4.046 -3.232 10.576 1.00 0.00 H new ATOM 178 N LEU C 15 -5.266 -2.210 7.640 1.00 0.00 N ATOM 179 CA LEU C 15 -4.637 -1.886 6.364 1.00 0.00 C ATOM 180 C LEU C 15 -4.834 -0.431 5.951 1.00 0.00 C ATOM 181 O LEU C 15 -3.919 0.138 5.366 1.00 0.00 O ATOM 182 CB LEU C 15 -5.105 -2.860 5.270 1.00 0.00 C ATOM 183 CG LEU C 15 -4.104 -2.977 4.107 1.00 0.00 C ATOM 184 CD1 LEU C 15 -2.787 -3.652 4.482 1.00 0.00 C ATOM 185 CD2 LEU C 15 -4.689 -3.836 2.989 1.00 0.00 C ATOM 0 H LEU C 15 -5.918 -2.991 7.570 1.00 0.00 H new ATOM 0 HA LEU C 15 -3.562 -2.008 6.498 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -5.261 -3.845 5.710 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -6.068 -2.528 4.882 1.00 0.00 H new ATOM 0 HG LEU C 15 -3.914 -1.946 3.808 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -2.138 -3.695 3.607 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -2.297 -3.080 5.270 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -2.985 -4.663 4.837 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -3.970 -3.910 2.173 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -4.907 -4.833 3.372 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -5.608 -3.379 2.622 1.00 0.00 H new ATOM 197 N ILE C 16 -5.954 0.197 6.307 1.00 0.00 N ATOM 198 CA ILE C 16 -6.247 1.592 5.991 1.00 0.00 C ATOM 199 C ILE C 16 -5.247 2.483 6.735 1.00 0.00 C ATOM 200 O ILE C 16 -4.708 3.431 6.165 1.00 0.00 O ATOM 201 CB ILE C 16 -7.702 1.912 6.400 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.726 1.168 5.521 1.00 0.00 C ATOM 203 CG2 ILE C 16 -8.010 3.415 6.312 1.00 0.00 C ATOM 204 CD1 ILE C 16 -10.034 0.887 6.271 1.00 0.00 C ATOM 0 H ILE C 16 -6.698 -0.261 6.834 1.00 0.00 H new ATOM 0 HA ILE C 16 -6.149 1.777 4.921 1.00 0.00 H new ATOM 0 HB ILE C 16 -7.791 1.578 7.434 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.939 1.761 4.632 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -8.295 0.227 5.180 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -9.044 3.593 6.609 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.342 3.963 6.977 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.863 3.757 5.288 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.725 0.361 5.612 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -9.827 0.271 7.146 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.481 1.829 6.589 1.00 0.00 H new ATOM 216 N ARG C 17 -5.116 2.288 8.048 1.00 0.00 N ATOM 217 CA ARG C 17 -4.214 3.052 8.908 1.00 0.00 C ATOM 218 C ARG C 17 -2.777 2.783 8.471 1.00 0.00 C ATOM 219 O ARG C 17 -2.064 3.708 8.089 1.00 0.00 O ATOM 220 CB ARG C 17 -4.509 2.642 10.365 1.00 0.00 C ATOM 221 CG ARG C 17 -4.268 3.767 11.375 1.00 0.00 C ATOM 222 CD ARG C 17 -4.839 3.372 12.744 1.00 0.00 C ATOM 223 NE ARG C 17 -4.910 4.537 13.636 1.00 0.00 N ATOM 224 CZ ARG C 17 -6.001 5.163 14.095 1.00 0.00 C ATOM 225 NH1 ARG C 17 -7.222 4.710 13.826 1.00 0.00 N ATOM 226 NH2 ARG C 17 -5.876 6.268 14.818 1.00 0.00 N ATOM 0 H ARG C 17 -5.646 1.578 8.553 1.00 0.00 H new ATOM 0 HA ARG C 17 -4.363 4.129 8.830 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -5.546 2.313 10.439 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -3.884 1.788 10.628 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -3.200 3.968 11.461 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -4.738 4.687 11.027 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.833 2.944 12.618 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -4.214 2.601 13.195 1.00 0.00 H new ATOM 0 HE ARG C 17 -4.015 4.917 13.945 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -7.341 3.870 13.260 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -8.039 5.203 14.186 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -4.949 6.640 15.024 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -6.707 6.745 15.168 1.00 0.00 H new ATOM 240 N PHE C 18 -2.455 1.502 8.320 1.00 0.00 N ATOM 241 CA PHE C 18 -1.160 1.001 7.911 1.00 0.00 C ATOM 242 C PHE C 18 -0.737 1.546 6.549 1.00 0.00 C ATOM 243 O PHE C 18 0.426 1.882 6.397 1.00 0.00 O ATOM 244 CB PHE C 18 -1.239 -0.526 7.949 1.00 0.00 C ATOM 245 CG PHE C 18 -0.179 -1.271 7.179 1.00 0.00 C ATOM 246 CD1 PHE C 18 -0.413 -1.587 5.830 1.00 0.00 C ATOM 247 CD2 PHE C 18 1.006 -1.684 7.807 1.00 0.00 C ATOM 248 CE1 PHE C 18 0.507 -2.369 5.118 1.00 0.00 C ATOM 249 CE2 PHE C 18 1.936 -2.450 7.089 1.00 0.00 C ATOM 250 CZ PHE C 18 1.670 -2.819 5.759 1.00 0.00 C ATOM 0 H PHE C 18 -3.127 0.754 8.489 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.381 1.345 8.592 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -1.192 -0.845 8.990 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -2.214 -0.827 7.567 1.00 0.00 H new ATOM 0 HD1 PHE C 18 -1.305 -1.226 5.340 1.00 0.00 H new ATOM 0 HD2 PHE C 18 1.200 -1.414 8.835 1.00 0.00 H new ATOM 0 HE1 PHE C 18 0.322 -2.623 4.085 1.00 0.00 H new ATOM 0 HE2 PHE C 18 2.859 -2.757 7.559 1.00 0.00 H new ATOM 0 HZ PHE C 18 2.365 -3.452 5.228 1.00 0.00 H new ATOM 260 N TYR C 19 -1.638 1.703 5.575 1.00 0.00 N ATOM 261 CA TYR C 19 -1.314 2.224 4.245 1.00 0.00 C ATOM 262 C TYR C 19 -0.683 3.619 4.324 1.00 0.00 C ATOM 263 O TYR C 19 0.168 3.964 3.497 1.00 0.00 O ATOM 264 CB TYR C 19 -2.587 2.247 3.388 1.00 0.00 C ATOM 265 CG TYR C 19 -2.403 2.872 2.020 1.00 0.00 C ATOM 266 CD1 TYR C 19 -1.969 2.090 0.934 1.00 0.00 C ATOM 267 CD2 TYR C 19 -2.677 4.238 1.836 1.00 0.00 C ATOM 268 CE1 TYR C 19 -1.756 2.693 -0.322 1.00 0.00 C ATOM 269 CE2 TYR C 19 -2.456 4.847 0.591 1.00 0.00 C ATOM 270 CZ TYR C 19 -1.966 4.082 -0.490 1.00 0.00 C ATOM 271 OH TYR C 19 -1.710 4.704 -1.674 1.00 0.00 O ATOM 0 H TYR C 19 -2.624 1.469 5.690 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.577 1.568 3.782 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.946 1.225 3.263 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.363 2.794 3.924 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -1.800 1.031 1.062 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -3.060 4.823 2.659 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -1.431 2.093 -1.159 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -2.660 5.899 0.460 1.00 0.00 H new ATOM 0 HH TYR C 19 -1.167 4.117 -2.241 1.00 0.00 H new ATOM 281 N ASN C 20 -1.127 4.425 5.291 1.00 0.00 N ATOM 282 CA ASN C 20 -0.630 5.774 5.517 1.00 0.00 C ATOM 283 C ASN C 20 0.797 5.648 6.046 1.00 0.00 C ATOM 284 O ASN C 20 1.727 6.143 5.419 1.00 0.00 O ATOM 285 CB ASN C 20 -1.574 6.536 6.478 1.00 0.00 C ATOM 286 CG ASN C 20 -2.048 7.880 5.917 1.00 0.00 C ATOM 287 OD1 ASN C 20 -1.374 8.552 5.133 1.00 0.00 O ATOM 288 ND2 ASN C 20 -3.290 8.243 6.195 1.00 0.00 N ATOM 0 H ASN C 20 -1.856 4.148 5.949 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.611 6.359 4.598 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.442 5.913 6.694 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.060 6.705 7.424 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -3.687 9.076 5.761 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.850 7.689 6.843 1.00 0.00 H new ATOM 295 N ASP C 21 0.992 4.855 7.107 1.00 0.00 N ATOM 296 CA ASP C 21 2.299 4.607 7.733 1.00 0.00 C ATOM 297 C ASP C 21 3.294 3.977 6.746 1.00 0.00 C ATOM 298 O ASP C 21 4.502 4.238 6.799 1.00 0.00 O ATOM 299 CB ASP C 21 2.141 3.640 8.917 1.00 0.00 C ATOM 300 CG ASP C 21 1.641 4.310 10.190 1.00 0.00 C ATOM 301 OD1 ASP C 21 0.412 4.264 10.427 1.00 0.00 O ATOM 302 OD2 ASP C 21 2.459 4.412 11.135 1.00 0.00 O ATOM 0 H ASP C 21 0.229 4.356 7.565 1.00 0.00 H new ATOM 0 HA ASP C 21 2.681 5.573 8.063 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.447 2.847 8.637 1.00 0.00 H new ATOM 0 HB3 ASP C 21 3.102 3.166 9.119 1.00 0.00 H new ATOM 307 N LEU C 22 2.791 3.172 5.805 1.00 0.00 N ATOM 308 CA LEU C 22 3.540 2.471 4.781 1.00 0.00 C ATOM 309 C LEU C 22 4.260 3.453 3.854 1.00 0.00 C ATOM 310 O LEU C 22 5.225 3.046 3.205 1.00 0.00 O ATOM 311 CB LEU C 22 2.579 1.529 4.027 1.00 0.00 C ATOM 312 CG LEU C 22 3.242 0.473 3.136 1.00 0.00 C ATOM 313 CD1 LEU C 22 3.970 -0.612 3.941 1.00 0.00 C ATOM 314 CD2 LEU C 22 2.173 -0.235 2.294 1.00 0.00 C ATOM 0 H LEU C 22 1.790 2.988 5.742 1.00 0.00 H new ATOM 0 HA LEU C 22 4.325 1.867 5.236 1.00 0.00 H new ATOM 0 HB2 LEU C 22 1.953 1.018 4.759 1.00 0.00 H new ATOM 0 HB3 LEU C 22 1.917 2.135 3.408 1.00 0.00 H new ATOM 0 HG LEU C 22 3.967 1.004 2.519 1.00 0.00 H new ATOM 0 HD11 LEU C 22 4.420 -1.332 3.257 1.00 0.00 H new ATOM 0 HD12 LEU C 22 4.749 -0.153 4.549 1.00 0.00 H new ATOM 0 HD13 LEU C 22 3.258 -1.123 4.589 1.00 0.00 H new ATOM 0 HD21 LEU C 22 2.647 -0.986 1.661 1.00 0.00 H new ATOM 0 HD22 LEU C 22 1.452 -0.719 2.953 1.00 0.00 H new ATOM 0 HD23 LEU C 22 1.660 0.495 1.669 1.00 0.00 H new ATOM 326 N GLN C 23 3.890 4.741 3.836 1.00 0.00 N ATOM 327 CA GLN C 23 4.552 5.726 2.994 1.00 0.00 C ATOM 328 C GLN C 23 6.036 5.810 3.388 1.00 0.00 C ATOM 329 O GLN C 23 6.918 5.789 2.526 1.00 0.00 O ATOM 330 CB GLN C 23 3.808 7.081 3.023 1.00 0.00 C ATOM 331 CG GLN C 23 4.064 8.012 4.225 1.00 0.00 C ATOM 332 CD GLN C 23 3.401 9.375 4.028 1.00 0.00 C ATOM 333 OE1 GLN C 23 2.440 9.753 4.689 1.00 0.00 O ATOM 334 NE2 GLN C 23 4.003 10.204 3.188 1.00 0.00 N ATOM 0 H GLN C 23 3.130 5.119 4.402 1.00 0.00 H new ATOM 0 HA GLN C 23 4.517 5.415 1.950 1.00 0.00 H new ATOM 0 HB2 GLN C 23 4.067 7.626 2.115 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.738 6.878 2.978 1.00 0.00 H new ATOM 0 HG2 GLN C 23 3.681 7.548 5.134 1.00 0.00 H new ATOM 0 HG3 GLN C 23 5.137 8.144 4.362 1.00 0.00 H new ATOM 0 HE21 GLN C 23 4.802 9.884 2.641 1.00 0.00 H new ATOM 0 HE22 GLN C 23 3.667 11.162 3.089 1.00 0.00 H new ATOM 343 N GLN C 24 6.336 5.867 4.696 1.00 0.00 N ATOM 344 CA GLN C 24 7.710 5.936 5.192 1.00 0.00 C ATOM 345 C GLN C 24 8.402 4.572 5.139 1.00 0.00 C ATOM 346 O GLN C 24 9.622 4.515 5.303 1.00 0.00 O ATOM 347 CB GLN C 24 7.765 6.522 6.608 1.00 0.00 C ATOM 348 CG GLN C 24 7.456 8.026 6.629 1.00 0.00 C ATOM 349 CD GLN C 24 7.940 8.648 7.934 1.00 0.00 C ATOM 350 OE1 GLN C 24 7.300 8.506 8.971 1.00 0.00 O ATOM 351 NE2 GLN C 24 9.159 9.171 7.948 1.00 0.00 N ATOM 0 H GLN C 24 5.631 5.866 5.433 1.00 0.00 H new ATOM 0 HA GLN C 24 8.255 6.608 4.529 1.00 0.00 H new ATOM 0 HB2 GLN C 24 7.051 5.998 7.244 1.00 0.00 H new ATOM 0 HB3 GLN C 24 8.755 6.351 7.031 1.00 0.00 H new ATOM 0 HG2 GLN C 24 7.940 8.515 5.784 1.00 0.00 H new ATOM 0 HG3 GLN C 24 6.383 8.185 6.518 1.00 0.00 H new ATOM 0 HE21 GLN C 24 9.677 9.282 7.076 1.00 0.00 H new ATOM 0 HE22 GLN C 24 9.579 9.463 8.831 1.00 0.00 H new ATOM 360 N TYR C 25 7.655 3.488 4.920 1.00 0.00 N ATOM 361 CA TYR C 25 8.178 2.133 4.816 1.00 0.00 C ATOM 362 C TYR C 25 8.718 1.969 3.394 1.00 0.00 C ATOM 363 O TYR C 25 9.902 1.699 3.202 1.00 0.00 O ATOM 364 CB TYR C 25 7.057 1.130 5.110 1.00 0.00 C ATOM 365 CG TYR C 25 7.523 -0.281 5.393 1.00 0.00 C ATOM 366 CD1 TYR C 25 7.920 -0.612 6.699 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.499 -1.274 4.394 1.00 0.00 C ATOM 368 CE1 TYR C 25 8.314 -1.921 7.010 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.892 -2.589 4.697 1.00 0.00 C ATOM 370 CZ TYR C 25 8.306 -2.915 6.008 1.00 0.00 C ATOM 371 OH TYR C 25 8.657 -4.188 6.318 1.00 0.00 O ATOM 0 H TYR C 25 6.642 3.535 4.808 1.00 0.00 H new ATOM 0 HA TYR C 25 8.975 1.950 5.536 1.00 0.00 H new ATOM 0 HB2 TYR C 25 6.485 1.487 5.967 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.376 1.108 4.259 1.00 0.00 H new ATOM 0 HD1 TYR C 25 7.922 0.146 7.468 1.00 0.00 H new ATOM 0 HD2 TYR C 25 7.178 -1.024 3.393 1.00 0.00 H new ATOM 0 HE1 TYR C 25 8.623 -2.168 8.015 1.00 0.00 H new ATOM 0 HE2 TYR C 25 7.878 -3.349 3.929 1.00 0.00 H new ATOM 0 HH TYR C 25 8.597 -4.748 5.516 1.00 0.00 H new ATOM 381 N LEU C 26 7.884 2.270 2.386 1.00 0.00 N ATOM 382 CA LEU C 26 8.213 2.196 0.958 1.00 0.00 C ATOM 383 C LEU C 26 9.406 3.116 0.652 1.00 0.00 C ATOM 384 O LEU C 26 10.225 2.849 -0.231 1.00 0.00 O ATOM 385 CB LEU C 26 6.958 2.551 0.134 1.00 0.00 C ATOM 386 CG LEU C 26 6.782 1.678 -1.122 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.397 1.901 -1.727 1.00 0.00 C ATOM 388 CD2 LEU C 26 7.826 1.952 -2.202 1.00 0.00 C ATOM 0 H LEU C 26 6.927 2.583 2.552 1.00 0.00 H new ATOM 0 HA LEU C 26 8.514 1.185 0.682 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.076 2.446 0.766 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.013 3.598 -0.165 1.00 0.00 H new ATOM 0 HG LEU C 26 6.907 0.647 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU C 26 5.283 1.279 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU C 26 4.633 1.634 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU C 26 5.285 2.950 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU C 26 7.643 1.303 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU C 26 7.760 2.994 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU C 26 8.821 1.755 -1.804 1.00 0.00 H new ATOM 400 N ASN C 27 9.551 4.181 1.447 1.00 0.00 N ATOM 401 CA ASN C 27 10.633 5.153 1.363 1.00 0.00 C ATOM 402 C ASN C 27 11.978 4.428 1.521 1.00 0.00 C ATOM 403 O ASN C 27 12.920 4.676 0.768 1.00 0.00 O ATOM 404 CB ASN C 27 10.428 6.197 2.465 1.00 0.00 C ATOM 405 CG ASN C 27 11.293 7.424 2.263 1.00 0.00 C ATOM 406 OD1 ASN C 27 12.497 7.388 2.477 1.00 0.00 O ATOM 407 ND2 ASN C 27 10.679 8.547 1.941 1.00 0.00 N ATOM 0 H ASN C 27 8.889 4.393 2.194 1.00 0.00 H new ATOM 0 HA ASN C 27 10.634 5.656 0.396 1.00 0.00 H new ATOM 0 HB2 ASN C 27 9.380 6.494 2.490 1.00 0.00 H new ATOM 0 HB3 ASN C 27 10.656 5.750 3.433 1.00 0.00 H new ATOM 0 HD21 ASN C 27 11.210 9.415 1.865 1.00 0.00 H new ATOM 0 HD22 ASN C 27 9.674 8.547 1.768 1.00 0.00 H new ATOM 414 N VAL C 28 12.047 3.471 2.453 1.00 0.00 N ATOM 415 CA VAL C 28 13.232 2.669 2.729 1.00 0.00 C ATOM 416 C VAL C 28 13.474 1.687 1.581 1.00 0.00 C ATOM 417 O VAL C 28 14.602 1.596 1.098 1.00 0.00 O ATOM 418 CB VAL C 28 13.083 1.906 4.065 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.430 1.294 4.463 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.569 2.797 5.206 1.00 0.00 C ATOM 0 H VAL C 28 11.255 3.231 3.050 1.00 0.00 H new ATOM 0 HA VAL C 28 14.089 3.337 2.815 1.00 0.00 H new ATOM 0 HB VAL C 28 12.340 1.125 3.905 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.321 0.757 5.405 1.00 0.00 H new ATOM 0 HG12 VAL C 28 14.759 0.603 3.687 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.169 2.086 4.580 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.484 2.207 6.119 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.267 3.619 5.368 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.591 3.198 4.942 1.00 0.00 H new ATOM 430 N VAL C 29 12.418 1.029 1.086 1.00 0.00 N ATOM 431 CA VAL C 29 12.467 0.047 -0.004 1.00 0.00 C ATOM 432 C VAL C 29 13.044 0.642 -1.298 1.00 0.00 C ATOM 433 O VAL C 29 13.561 -0.104 -2.138 1.00 0.00 O ATOM 434 CB VAL C 29 11.055 -0.544 -0.242 1.00 0.00 C ATOM 435 CG1 VAL C 29 11.071 -1.720 -1.227 1.00 0.00 C ATOM 436 CG2 VAL C 29 10.431 -1.070 1.054 1.00 0.00 C ATOM 0 H VAL C 29 11.474 1.171 1.446 1.00 0.00 H new ATOM 0 HA VAL C 29 13.143 -0.754 0.296 1.00 0.00 H new ATOM 0 HB VAL C 29 10.471 0.282 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL C 29 10.057 -2.098 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL C 29 11.461 -1.385 -2.188 1.00 0.00 H new ATOM 0 HG13 VAL C 29 11.706 -2.514 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL C 29 9.442 -1.476 0.843 1.00 0.00 H new ATOM 0 HG22 VAL C 29 11.063 -1.854 1.470 1.00 0.00 H new ATOM 0 HG23 VAL C 29 10.343 -0.255 1.772 1.00 0.00 H new ATOM 446 N THR C 30 13.033 1.968 -1.427 1.00 0.00 N ATOM 447 CA THR C 30 13.524 2.723 -2.572 1.00 0.00 C ATOM 448 C THR C 30 14.724 3.593 -2.234 1.00 0.00 C ATOM 449 O THR C 30 15.172 4.347 -3.100 1.00 0.00 O ATOM 450 CB THR C 30 12.371 3.594 -3.096 1.00 0.00 C ATOM 451 OG1 THR C 30 11.773 4.335 -2.044 1.00 0.00 O ATOM 452 CG2 THR C 30 11.297 2.729 -3.734 1.00 0.00 C ATOM 0 H THR C 30 12.661 2.574 -0.695 1.00 0.00 H new ATOM 0 HA THR C 30 13.863 2.017 -3.331 1.00 0.00 H new ATOM 0 HB THR C 30 12.792 4.277 -3.834 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.231 3.736 -1.489 1.00 0.00 H new ATOM 0 HG21 THR C 30 10.489 3.363 -4.099 1.00 0.00 H new ATOM 0 HG22 THR C 30 11.726 2.172 -4.567 1.00 0.00 H new ATOM 0 HG23 THR C 30 10.905 2.031 -2.994 1.00 0.00 H new ATOM 460 N ARG C 31 15.209 3.567 -0.983 1.00 0.00 N ATOM 461 CA ARG C 31 16.334 4.391 -0.524 1.00 0.00 C ATOM 462 C ARG C 31 16.059 5.855 -0.914 1.00 0.00 C ATOM 463 O ARG C 31 16.985 6.632 -1.139 1.00 0.00 O ATOM 464 CB ARG C 31 17.620 3.757 -1.093 1.00 0.00 C ATOM 465 CG ARG C 31 18.956 4.414 -0.721 1.00 0.00 C ATOM 466 CD ARG C 31 19.629 5.077 -1.935 1.00 0.00 C ATOM 467 NE ARG C 31 21.089 5.173 -1.796 1.00 0.00 N ATOM 468 CZ ARG C 31 21.794 6.043 -1.070 1.00 0.00 C ATOM 469 NH1 ARG C 31 21.191 6.896 -0.254 1.00 0.00 N ATOM 470 NH2 ARG C 31 23.117 6.048 -1.155 1.00 0.00 N ATOM 0 H ARG C 31 14.825 2.965 -0.254 1.00 0.00 H new ATOM 0 HA ARG C 31 16.463 4.416 0.558 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.654 2.717 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.539 3.750 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG C 31 18.789 5.162 0.054 1.00 0.00 H new ATOM 0 HG3 ARG C 31 19.625 3.663 -0.301 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.391 4.507 -2.833 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.215 6.076 -2.073 1.00 0.00 H new ATOM 0 HE ARG C 31 21.632 4.488 -2.321 1.00 0.00 H new ATOM 0 HH11 ARG C 31 20.174 6.893 -0.174 1.00 0.00 H new ATOM 0 HH12 ARG C 31 21.744 7.555 0.294 1.00 0.00 H new ATOM 0 HH21 ARG C 31 23.591 5.389 -1.773 1.00 0.00 H new ATOM 0 HH22 ARG C 31 23.661 6.711 -0.602 1.00 0.00 H new ATOM 484 N HIS C 32 14.773 6.225 -0.953 1.00 0.00 N ATOM 485 CA HIS C 32 14.218 7.508 -1.329 1.00 0.00 C ATOM 486 C HIS C 32 14.754 7.960 -2.695 1.00 0.00 C ATOM 487 O HIS C 32 15.415 8.991 -2.813 1.00 0.00 O ATOM 488 CB HIS C 32 14.375 8.525 -0.200 1.00 0.00 C ATOM 489 CG HIS C 32 13.539 9.757 -0.408 1.00 0.00 C ATOM 490 ND1 HIS C 32 14.004 11.045 -0.356 1.00 0.00 N ATOM 491 CD2 HIS C 32 12.196 9.809 -0.662 1.00 0.00 C ATOM 492 CE1 HIS C 32 12.968 11.867 -0.550 1.00 0.00 C ATOM 493 NE2 HIS C 32 11.837 11.161 -0.751 1.00 0.00 N ATOM 0 H HIS C 32 14.038 5.566 -0.697 1.00 0.00 H new ATOM 0 HA HIS C 32 13.141 7.413 -1.470 1.00 0.00 H new ATOM 0 HB2 HIS C 32 14.098 8.058 0.745 1.00 0.00 H new ATOM 0 HB3 HIS C 32 15.423 8.812 -0.118 1.00 0.00 H new ATOM 0 HD2 HIS C 32 11.534 8.963 -0.774 1.00 0.00 H new ATOM 0 HE1 HIS C 32 13.028 12.945 -0.546 1.00 0.00 H new ATOM 0 HE2 HIS C 32 10.906 11.536 -0.932 1.00 0.00 H new ATOM 501 N ARG C 33 14.433 7.193 -3.742 1.00 0.00 N ATOM 502 CA ARG C 33 14.816 7.427 -5.140 1.00 0.00 C ATOM 503 C ARG C 33 13.566 7.268 -6.019 1.00 0.00 C ATOM 504 O ARG C 33 13.597 6.530 -7.006 1.00 0.00 O ATOM 505 CB ARG C 33 15.943 6.453 -5.552 1.00 0.00 C ATOM 506 CG ARG C 33 17.271 6.680 -4.806 1.00 0.00 C ATOM 507 CD ARG C 33 18.397 5.781 -5.339 1.00 0.00 C ATOM 508 NE ARG C 33 18.733 6.089 -6.739 1.00 0.00 N ATOM 509 CZ ARG C 33 19.252 5.249 -7.640 1.00 0.00 C ATOM 510 NH1 ARG C 33 19.679 4.038 -7.310 1.00 0.00 N ATOM 511 NH2 ARG C 33 19.340 5.637 -8.902 1.00 0.00 N ATOM 0 H ARG C 33 13.871 6.349 -3.633 1.00 0.00 H new ATOM 0 HA ARG C 33 15.206 8.437 -5.268 1.00 0.00 H new ATOM 0 HB2 ARG C 33 15.609 5.431 -5.375 1.00 0.00 H new ATOM 0 HB3 ARG C 33 16.119 6.549 -6.623 1.00 0.00 H new ATOM 0 HG2 ARG C 33 17.566 7.725 -4.903 1.00 0.00 H new ATOM 0 HG3 ARG C 33 17.126 6.487 -3.743 1.00 0.00 H new ATOM 0 HD2 ARG C 33 19.284 5.904 -4.718 1.00 0.00 H new ATOM 0 HD3 ARG C 33 18.095 4.737 -5.260 1.00 0.00 H new ATOM 0 HE ARG C 33 18.551 7.042 -7.054 1.00 0.00 H new ATOM 0 HH11 ARG C 33 19.617 3.721 -6.342 1.00 0.00 H new ATOM 0 HH12 ARG C 33 20.070 3.423 -8.024 1.00 0.00 H new ATOM 0 HH21 ARG C 33 19.014 6.565 -9.174 1.00 0.00 H new ATOM 0 HH22 ARG C 33 19.733 5.009 -9.603 1.00 0.00 H new ATOM 525 N TYR C 34 12.441 7.837 -5.567 1.00 0.00 N ATOM 526 CA TYR C 34 11.144 7.775 -6.238 1.00 0.00 C ATOM 527 C TYR C 34 11.248 8.189 -7.708 1.00 0.00 C ATOM 528 O TYR C 34 12.103 8.973 -8.116 1.00 0.00 O ATOM 529 CB TYR C 34 10.101 8.646 -5.503 1.00 0.00 C ATOM 530 CG TYR C 34 9.430 8.069 -4.260 1.00 0.00 C ATOM 531 CD1 TYR C 34 10.105 7.210 -3.368 1.00 0.00 C ATOM 532 CD2 TYR C 34 8.088 8.410 -3.988 1.00 0.00 C ATOM 533 CE1 TYR C 34 9.449 6.703 -2.232 1.00 0.00 C ATOM 534 CE2 TYR C 34 7.431 7.910 -2.852 1.00 0.00 C ATOM 535 CZ TYR C 34 8.106 7.047 -1.965 1.00 0.00 C ATOM 536 OH TYR C 34 7.465 6.565 -0.863 1.00 0.00 O ATOM 0 H TYR C 34 12.412 8.369 -4.697 1.00 0.00 H new ATOM 0 HA TYR C 34 10.812 6.737 -6.208 1.00 0.00 H new ATOM 0 HB2 TYR C 34 10.588 9.578 -5.217 1.00 0.00 H new ATOM 0 HB3 TYR C 34 9.318 8.901 -6.217 1.00 0.00 H new ATOM 0 HD1 TYR C 34 11.133 6.940 -3.559 1.00 0.00 H new ATOM 0 HD2 TYR C 34 7.558 9.065 -4.664 1.00 0.00 H new ATOM 0 HE1 TYR C 34 9.977 6.045 -1.558 1.00 0.00 H new ATOM 0 HE2 TYR C 34 6.406 8.187 -2.657 1.00 0.00 H new ATOM 0 HH TYR C 34 6.547 6.909 -0.842 1.00 0.00 H new ATOM 670 N PRO D 11 6.892 -7.466 -7.249 1.00 0.00 N ATOM 671 CA PRO D 11 8.240 -6.919 -7.158 1.00 0.00 C ATOM 672 C PRO D 11 8.167 -5.453 -6.732 1.00 0.00 C ATOM 673 O PRO D 11 7.226 -4.743 -7.104 1.00 0.00 O ATOM 674 CB PRO D 11 8.873 -7.120 -8.539 1.00 0.00 C ATOM 675 CG PRO D 11 7.668 -7.184 -9.477 1.00 0.00 C ATOM 676 CD PRO D 11 6.586 -7.843 -8.622 1.00 0.00 C ATOM 0 HA PRO D 11 8.854 -7.416 -6.407 1.00 0.00 H new ATOM 0 HB2 PRO D 11 9.540 -6.298 -8.798 1.00 0.00 H new ATOM 0 HB3 PRO D 11 9.463 -8.035 -8.581 1.00 0.00 H new ATOM 0 HG2 PRO D 11 7.366 -6.191 -9.811 1.00 0.00 H new ATOM 0 HG3 PRO D 11 7.885 -7.769 -10.371 1.00 0.00 H new ATOM 0 HD2 PRO D 11 5.593 -7.499 -8.912 1.00 0.00 H new ATOM 0 HD3 PRO D 11 6.596 -8.926 -8.743 1.00 0.00 H new ATOM 684 N VAL D 12 9.205 -4.972 -6.041 1.00 0.00 N ATOM 685 CA VAL D 12 9.229 -3.599 -5.551 1.00 0.00 C ATOM 686 C VAL D 12 9.083 -2.571 -6.673 1.00 0.00 C ATOM 687 O VAL D 12 8.382 -1.583 -6.484 1.00 0.00 O ATOM 688 CB VAL D 12 10.460 -3.317 -4.660 1.00 0.00 C ATOM 689 CG1 VAL D 12 10.582 -4.327 -3.509 1.00 0.00 C ATOM 690 CG2 VAL D 12 11.802 -3.268 -5.402 1.00 0.00 C ATOM 0 H VAL D 12 10.037 -5.516 -5.811 1.00 0.00 H new ATOM 0 HA VAL D 12 8.349 -3.488 -4.917 1.00 0.00 H new ATOM 0 HB VAL D 12 10.265 -2.316 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL D 12 11.461 -4.091 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL D 12 9.691 -4.275 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL D 12 10.681 -5.333 -3.917 1.00 0.00 H new ATOM 0 HG21 VAL D 12 12.603 -3.065 -4.692 1.00 0.00 H new ATOM 0 HG22 VAL D 12 11.983 -4.226 -5.889 1.00 0.00 H new ATOM 0 HG23 VAL D 12 11.774 -2.478 -6.153 1.00 0.00 H new ATOM 700 N GLU D 13 9.694 -2.821 -7.835 1.00 0.00 N ATOM 701 CA GLU D 13 9.674 -1.943 -9.002 1.00 0.00 C ATOM 702 C GLU D 13 8.250 -1.632 -9.459 1.00 0.00 C ATOM 703 O GLU D 13 7.970 -0.516 -9.903 1.00 0.00 O ATOM 704 CB GLU D 13 10.504 -2.609 -10.108 1.00 0.00 C ATOM 705 CG GLU D 13 10.778 -1.666 -11.288 1.00 0.00 C ATOM 706 CD GLU D 13 11.720 -2.255 -12.345 1.00 0.00 C ATOM 707 OE1 GLU D 13 12.502 -3.187 -12.024 1.00 0.00 O ATOM 708 OE2 GLU D 13 11.855 -1.586 -13.400 1.00 0.00 O ATOM 0 H GLU D 13 10.235 -3.672 -7.991 1.00 0.00 H new ATOM 0 HA GLU D 13 10.112 -0.978 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU D 13 11.452 -2.949 -9.691 1.00 0.00 H new ATOM 0 HB3 GLU D 13 9.979 -3.494 -10.469 1.00 0.00 H new ATOM 0 HG2 GLU D 13 9.831 -1.408 -11.762 1.00 0.00 H new ATOM 0 HG3 GLU D 13 11.208 -0.739 -10.908 1.00 0.00 H new ATOM 715 N ASP D 14 7.360 -2.615 -9.354 1.00 0.00 N ATOM 716 CA ASP D 14 5.968 -2.469 -9.736 1.00 0.00 C ATOM 717 C ASP D 14 5.199 -1.894 -8.561 1.00 0.00 C ATOM 718 O ASP D 14 4.485 -0.910 -8.743 1.00 0.00 O ATOM 719 CB ASP D 14 5.376 -3.812 -10.176 1.00 0.00 C ATOM 720 CG ASP D 14 5.787 -4.121 -11.609 1.00 0.00 C ATOM 721 OD1 ASP D 14 5.111 -3.592 -12.525 1.00 0.00 O ATOM 722 OD2 ASP D 14 6.930 -4.580 -11.826 1.00 0.00 O ATOM 0 H ASP D 14 7.592 -3.542 -8.997 1.00 0.00 H new ATOM 0 HA ASP D 14 5.893 -1.791 -10.586 1.00 0.00 H new ATOM 0 HB2 ASP D 14 5.720 -4.605 -9.512 1.00 0.00 H new ATOM 0 HB3 ASP D 14 4.289 -3.782 -10.100 1.00 0.00 H new ATOM 727 N LEU D 15 5.416 -2.427 -7.348 1.00 0.00 N ATOM 728 CA LEU D 15 4.734 -1.981 -6.134 1.00 0.00 C ATOM 729 C LEU D 15 4.921 -0.486 -5.856 1.00 0.00 C ATOM 730 O LEU D 15 4.057 0.098 -5.218 1.00 0.00 O ATOM 731 CB LEU D 15 5.086 -2.848 -4.917 1.00 0.00 C ATOM 732 CG LEU D 15 3.914 -2.919 -3.906 1.00 0.00 C ATOM 733 CD1 LEU D 15 2.838 -3.913 -4.360 1.00 0.00 C ATOM 734 CD2 LEU D 15 4.449 -3.389 -2.554 1.00 0.00 C ATOM 0 H LEU D 15 6.077 -3.187 -7.187 1.00 0.00 H new ATOM 0 HA LEU D 15 3.669 -2.119 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU D 15 5.342 -3.854 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU D 15 5.968 -2.441 -4.423 1.00 0.00 H new ATOM 0 HG LEU D 15 3.472 -1.925 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU D 15 2.032 -3.937 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU D 15 2.441 -3.603 -5.326 1.00 0.00 H new ATOM 0 HD13 LEU D 15 3.276 -4.907 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU D 15 3.630 -3.442 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU D 15 4.899 -4.376 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.200 -2.685 -2.196 1.00 0.00 H new ATOM 746 N ILE D 16 6.000 0.151 -6.322 1.00 0.00 N ATOM 747 CA ILE D 16 6.249 1.584 -6.131 1.00 0.00 C ATOM 748 C ILE D 16 5.186 2.370 -6.908 1.00 0.00 C ATOM 749 O ILE D 16 4.442 3.169 -6.335 1.00 0.00 O ATOM 750 CB ILE D 16 7.682 1.927 -6.605 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.726 1.354 -5.630 1.00 0.00 C ATOM 752 CG2 ILE D 16 7.931 3.439 -6.742 1.00 0.00 C ATOM 753 CD1 ILE D 16 10.062 1.037 -6.308 1.00 0.00 C ATOM 0 H ILE D 16 6.735 -0.320 -6.850 1.00 0.00 H new ATOM 0 HA ILE D 16 6.179 1.855 -5.078 1.00 0.00 H new ATOM 0 HB ILE D 16 7.781 1.476 -7.592 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.894 2.068 -4.824 1.00 0.00 H new ATOM 0 HG13 ILE D 16 8.331 0.446 -5.174 1.00 0.00 H new ATOM 0 HG21 ILE D 16 8.954 3.610 -7.078 1.00 0.00 H new ATOM 0 HG22 ILE D 16 7.236 3.858 -7.469 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.780 3.922 -5.776 1.00 0.00 H new ATOM 0 HD11 ILE D 16 10.758 0.636 -5.571 1.00 0.00 H new ATOM 0 HD12 ILE D 16 9.904 0.301 -7.096 1.00 0.00 H new ATOM 0 HD13 ILE D 16 10.476 1.948 -6.740 1.00 0.00 H new ATOM 765 N ARG D 17 5.154 2.169 -8.228 1.00 0.00 N ATOM 766 CA ARG D 17 4.230 2.815 -9.155 1.00 0.00 C ATOM 767 C ARG D 17 2.794 2.500 -8.742 1.00 0.00 C ATOM 768 O ARG D 17 1.947 3.384 -8.628 1.00 0.00 O ATOM 769 CB ARG D 17 4.531 2.272 -10.567 1.00 0.00 C ATOM 770 CG ARG D 17 4.195 3.239 -11.704 1.00 0.00 C ATOM 771 CD ARG D 17 5.287 4.296 -11.902 1.00 0.00 C ATOM 772 NE ARG D 17 5.259 4.800 -13.282 1.00 0.00 N ATOM 773 CZ ARG D 17 6.184 5.544 -13.889 1.00 0.00 C ATOM 774 NH1 ARG D 17 7.243 5.994 -13.219 1.00 0.00 N ATOM 775 NH2 ARG D 17 6.034 5.817 -15.177 1.00 0.00 N ATOM 0 H ARG D 17 5.796 1.528 -8.694 1.00 0.00 H new ATOM 0 HA ARG D 17 4.351 3.898 -9.144 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.589 2.015 -10.626 1.00 0.00 H new ATOM 0 HB3 ARG D 17 3.970 1.349 -10.715 1.00 0.00 H new ATOM 0 HG2 ARG D 17 4.062 2.678 -12.629 1.00 0.00 H new ATOM 0 HG3 ARG D 17 3.247 3.733 -11.491 1.00 0.00 H new ATOM 0 HD2 ARG D 17 5.138 5.119 -11.203 1.00 0.00 H new ATOM 0 HD3 ARG D 17 6.264 3.865 -11.684 1.00 0.00 H new ATOM 0 HE ARG D 17 4.440 4.553 -13.838 1.00 0.00 H new ATOM 0 HH11 ARG D 17 7.354 5.770 -12.230 1.00 0.00 H new ATOM 0 HH12 ARG D 17 7.944 6.562 -13.695 1.00 0.00 H new ATOM 0 HH21 ARG D 17 5.224 5.460 -15.683 1.00 0.00 H new ATOM 0 HH22 ARG D 17 6.729 6.384 -15.662 1.00 0.00 H new ATOM 789 N PHE D 18 2.565 1.221 -8.468 1.00 0.00 N ATOM 790 CA PHE D 18 1.312 0.633 -8.060 1.00 0.00 C ATOM 791 C PHE D 18 0.779 1.266 -6.782 1.00 0.00 C ATOM 792 O PHE D 18 -0.349 1.733 -6.807 1.00 0.00 O ATOM 793 CB PHE D 18 1.566 -0.860 -7.889 1.00 0.00 C ATOM 794 CG PHE D 18 0.421 -1.671 -7.358 1.00 0.00 C ATOM 795 CD1 PHE D 18 -0.506 -2.226 -8.253 1.00 0.00 C ATOM 796 CD2 PHE D 18 0.323 -1.926 -5.978 1.00 0.00 C ATOM 797 CE1 PHE D 18 -1.555 -3.012 -7.762 1.00 0.00 C ATOM 798 CE2 PHE D 18 -0.708 -2.741 -5.496 1.00 0.00 C ATOM 799 CZ PHE D 18 -1.655 -3.267 -6.385 1.00 0.00 C ATOM 0 H PHE D 18 3.308 0.525 -8.532 1.00 0.00 H new ATOM 0 HA PHE D 18 0.542 0.809 -8.812 1.00 0.00 H new ATOM 0 HB2 PHE D 18 1.857 -1.271 -8.856 1.00 0.00 H new ATOM 0 HB3 PHE D 18 2.416 -0.988 -7.219 1.00 0.00 H new ATOM 0 HD1 PHE D 18 -0.411 -2.048 -9.314 1.00 0.00 H new ATOM 0 HD2 PHE D 18 1.039 -1.495 -5.294 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -2.287 -3.422 -8.442 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -0.773 -2.964 -4.441 1.00 0.00 H new ATOM 0 HZ PHE D 18 -2.467 -3.872 -6.009 1.00 0.00 H new ATOM 809 N TYR D 19 1.556 1.306 -5.690 1.00 0.00 N ATOM 810 CA TYR D 19 1.160 1.875 -4.397 1.00 0.00 C ATOM 811 C TYR D 19 0.619 3.296 -4.541 1.00 0.00 C ATOM 812 O TYR D 19 -0.286 3.693 -3.804 1.00 0.00 O ATOM 813 CB TYR D 19 2.361 1.866 -3.437 1.00 0.00 C ATOM 814 CG TYR D 19 2.172 2.662 -2.157 1.00 0.00 C ATOM 815 CD1 TYR D 19 1.540 2.086 -1.043 1.00 0.00 C ATOM 816 CD2 TYR D 19 2.629 3.991 -2.084 1.00 0.00 C ATOM 817 CE1 TYR D 19 1.336 2.849 0.123 1.00 0.00 C ATOM 818 CE2 TYR D 19 2.428 4.759 -0.924 1.00 0.00 C ATOM 819 CZ TYR D 19 1.751 4.201 0.184 1.00 0.00 C ATOM 820 OH TYR D 19 1.496 4.972 1.283 1.00 0.00 O ATOM 0 H TYR D 19 2.505 0.932 -5.684 1.00 0.00 H new ATOM 0 HA TYR D 19 0.358 1.257 -3.993 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.587 0.833 -3.173 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.230 2.258 -3.965 1.00 0.00 H new ATOM 0 HD1 TYR D 19 1.210 1.058 -1.080 1.00 0.00 H new ATOM 0 HD2 TYR D 19 3.141 4.426 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR D 19 0.858 2.398 0.980 1.00 0.00 H new ATOM 0 HE2 TYR D 19 2.791 5.775 -0.879 1.00 0.00 H new ATOM 0 HH TYR D 19 1.020 4.439 1.953 1.00 0.00 H new ATOM 830 N ASN D 20 1.198 4.057 -5.469 1.00 0.00 N ATOM 831 CA ASN D 20 0.800 5.424 -5.732 1.00 0.00 C ATOM 832 C ASN D 20 -0.616 5.441 -6.295 1.00 0.00 C ATOM 833 O ASN D 20 -1.497 6.043 -5.688 1.00 0.00 O ATOM 834 CB ASN D 20 1.836 6.073 -6.672 1.00 0.00 C ATOM 835 CG ASN D 20 1.897 7.592 -6.567 1.00 0.00 C ATOM 836 OD1 ASN D 20 0.893 8.278 -6.426 1.00 0.00 O ATOM 837 ND2 ASN D 20 3.095 8.153 -6.645 1.00 0.00 N ATOM 0 H ASN D 20 1.963 3.732 -6.060 1.00 0.00 H new ATOM 0 HA ASN D 20 0.780 6.013 -4.815 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.821 5.663 -6.450 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.601 5.799 -7.700 1.00 0.00 H new ATOM 0 HD21 ASN D 20 3.188 9.167 -6.588 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.924 7.571 -6.762 1.00 0.00 H new ATOM 844 N ASP D 21 -0.859 4.701 -7.380 1.00 0.00 N ATOM 845 CA ASP D 21 -2.168 4.610 -8.039 1.00 0.00 C ATOM 846 C ASP D 21 -3.221 3.946 -7.140 1.00 0.00 C ATOM 847 O ASP D 21 -4.385 4.353 -7.111 1.00 0.00 O ATOM 848 CB ASP D 21 -2.013 3.821 -9.344 1.00 0.00 C ATOM 849 CG ASP D 21 -2.995 4.295 -10.414 1.00 0.00 C ATOM 850 OD1 ASP D 21 -4.051 3.651 -10.586 1.00 0.00 O ATOM 851 OD2 ASP D 21 -2.558 5.097 -11.280 1.00 0.00 O ATOM 0 H ASP D 21 -0.140 4.138 -7.834 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.518 5.621 -8.248 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -0.993 3.927 -9.714 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -2.172 2.761 -9.149 1.00 0.00 H new ATOM 856 N LEU D 22 -2.770 3.004 -6.302 1.00 0.00 N ATOM 857 CA LEU D 22 -3.532 2.217 -5.337 1.00 0.00 C ATOM 858 C LEU D 22 -4.248 3.113 -4.320 1.00 0.00 C ATOM 859 O LEU D 22 -5.182 2.649 -3.657 1.00 0.00 O ATOM 860 CB LEU D 22 -2.565 1.223 -4.660 1.00 0.00 C ATOM 861 CG LEU D 22 -3.191 0.203 -3.705 1.00 0.00 C ATOM 862 CD1 LEU D 22 -4.013 -0.842 -4.467 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.103 -0.511 -2.894 1.00 0.00 C ATOM 0 H LEU D 22 -1.781 2.756 -6.284 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.320 1.663 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -2.034 0.678 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -1.820 1.795 -4.107 1.00 0.00 H new ATOM 0 HG LEU D 22 -3.852 0.750 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -4.444 -1.552 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -4.813 -0.346 -5.017 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -3.368 -1.373 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -2.566 -1.232 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -1.426 -1.030 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -1.543 0.221 -2.312 1.00 0.00 H new ATOM 875 N GLN D 23 -3.862 4.390 -4.216 1.00 0.00 N ATOM 876 CA GLN D 23 -4.487 5.345 -3.317 1.00 0.00 C ATOM 877 C GLN D 23 -5.986 5.435 -3.649 1.00 0.00 C ATOM 878 O GLN D 23 -6.823 5.519 -2.748 1.00 0.00 O ATOM 879 CB GLN D 23 -3.760 6.706 -3.408 1.00 0.00 C ATOM 880 CG GLN D 23 -4.056 7.531 -4.675 1.00 0.00 C ATOM 881 CD GLN D 23 -3.166 8.771 -4.773 1.00 0.00 C ATOM 882 OE1 GLN D 23 -2.291 8.872 -5.628 1.00 0.00 O ATOM 883 NE2 GLN D 23 -3.342 9.728 -3.876 1.00 0.00 N ATOM 0 H GLN D 23 -3.098 4.786 -4.763 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.401 5.018 -2.281 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -4.030 7.302 -2.536 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.686 6.529 -3.353 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -3.907 6.907 -5.557 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -5.103 7.835 -4.673 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -4.071 9.636 -3.169 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -2.748 10.557 -3.892 1.00 0.00 H new ATOM 892 N GLN D 24 -6.344 5.351 -4.938 1.00 0.00 N ATOM 893 CA GLN D 24 -7.728 5.416 -5.388 1.00 0.00 C ATOM 894 C GLN D 24 -8.468 4.120 -5.072 1.00 0.00 C ATOM 895 O GLN D 24 -9.676 4.154 -4.852 1.00 0.00 O ATOM 896 CB GLN D 24 -7.790 5.719 -6.891 1.00 0.00 C ATOM 897 CG GLN D 24 -7.237 7.118 -7.167 1.00 0.00 C ATOM 898 CD GLN D 24 -7.515 7.596 -8.585 1.00 0.00 C ATOM 899 OE1 GLN D 24 -6.602 7.708 -9.398 1.00 0.00 O ATOM 900 NE2 GLN D 24 -8.745 7.983 -8.885 1.00 0.00 N ATOM 0 H GLN D 24 -5.672 5.235 -5.697 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.221 6.225 -4.850 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -7.215 4.976 -7.444 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -8.820 5.651 -7.242 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -7.675 7.822 -6.459 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -6.161 7.119 -6.993 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -9.493 7.883 -8.198 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -8.945 8.381 -9.803 1.00 0.00 H new ATOM 909 N TYR D 25 -7.784 2.976 -5.062 1.00 0.00 N ATOM 910 CA TYR D 25 -8.407 1.694 -4.757 1.00 0.00 C ATOM 911 C TYR D 25 -8.881 1.713 -3.303 1.00 0.00 C ATOM 912 O TYR D 25 -10.028 1.375 -3.018 1.00 0.00 O ATOM 913 CB TYR D 25 -7.400 0.568 -5.007 1.00 0.00 C ATOM 914 CG TYR D 25 -7.948 -0.845 -4.941 1.00 0.00 C ATOM 915 CD1 TYR D 25 -8.143 -1.479 -3.699 1.00 0.00 C ATOM 916 CD2 TYR D 25 -8.167 -1.566 -6.129 1.00 0.00 C ATOM 917 CE1 TYR D 25 -8.508 -2.836 -3.645 1.00 0.00 C ATOM 918 CE2 TYR D 25 -8.526 -2.923 -6.084 1.00 0.00 C ATOM 919 CZ TYR D 25 -8.663 -3.574 -4.840 1.00 0.00 C ATOM 920 OH TYR D 25 -8.904 -4.910 -4.786 1.00 0.00 O ATOM 0 H TYR D 25 -6.786 2.915 -5.265 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.270 1.520 -5.400 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -6.955 0.718 -5.991 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.596 0.659 -4.277 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -8.012 -0.921 -2.784 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -8.058 -1.072 -7.083 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -8.670 -3.314 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -8.697 -3.468 -7.001 1.00 0.00 H new ATOM 0 HH TYR D 25 -8.986 -5.265 -5.696 1.00 0.00 H new ATOM 930 N LEU D 26 -8.041 2.211 -2.385 1.00 0.00 N ATOM 931 CA LEU D 26 -8.365 2.285 -0.958 1.00 0.00 C ATOM 932 C LEU D 26 -9.572 3.195 -0.697 1.00 0.00 C ATOM 933 O LEU D 26 -10.275 3.043 0.306 1.00 0.00 O ATOM 934 CB LEU D 26 -7.127 2.720 -0.154 1.00 0.00 C ATOM 935 CG LEU D 26 -6.828 1.750 1.003 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.422 1.983 1.539 1.00 0.00 C ATOM 937 CD2 LEU D 26 -7.805 1.866 2.168 1.00 0.00 C ATOM 0 H LEU D 26 -7.116 2.574 -2.614 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.653 1.290 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.263 2.773 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.285 3.722 0.244 1.00 0.00 H new ATOM 0 HG LEU D 26 -6.931 0.751 0.579 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.225 1.290 2.357 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.697 1.819 0.742 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.336 3.007 1.903 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -7.531 1.152 2.945 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -7.768 2.877 2.575 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -8.815 1.652 1.818 1.00 0.00 H new ATOM 949 N ASN D 27 -9.839 4.135 -1.608 1.00 0.00 N ATOM 950 CA ASN D 27 -10.972 5.049 -1.513 1.00 0.00 C ATOM 951 C ASN D 27 -12.257 4.216 -1.554 1.00 0.00 C ATOM 952 O ASN D 27 -13.143 4.386 -0.717 1.00 0.00 O ATOM 953 CB ASN D 27 -10.931 6.062 -2.665 1.00 0.00 C ATOM 954 CG ASN D 27 -11.500 7.404 -2.239 1.00 0.00 C ATOM 955 OD1 ASN D 27 -12.711 7.603 -2.181 1.00 0.00 O ATOM 956 ND2 ASN D 27 -10.626 8.299 -1.800 1.00 0.00 N ATOM 0 H ASN D 27 -9.266 4.281 -2.439 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.933 5.613 -0.581 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.903 6.191 -3.002 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -11.498 5.676 -3.512 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -10.954 9.179 -1.402 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -9.626 8.108 -1.860 1.00 0.00 H new ATOM 963 N VAL D 28 -12.298 3.234 -2.462 1.00 0.00 N ATOM 964 CA VAL D 28 -13.405 2.307 -2.660 1.00 0.00 C ATOM 965 C VAL D 28 -13.506 1.397 -1.430 1.00 0.00 C ATOM 966 O VAL D 28 -14.583 1.279 -0.846 1.00 0.00 O ATOM 967 CB VAL D 28 -13.193 1.481 -3.956 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.464 0.733 -4.375 1.00 0.00 C ATOM 969 CG2 VAL D 28 -12.748 2.337 -5.155 1.00 0.00 C ATOM 0 H VAL D 28 -11.524 3.061 -3.104 1.00 0.00 H new ATOM 0 HA VAL D 28 -14.339 2.858 -2.775 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.400 0.777 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.270 0.168 -5.287 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -14.762 0.049 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.265 1.450 -4.556 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.617 1.699 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -13.507 3.090 -5.366 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -11.804 2.829 -4.921 1.00 0.00 H new ATOM 979 N VAL D 29 -12.380 0.846 -0.956 1.00 0.00 N ATOM 980 CA VAL D 29 -12.322 -0.042 0.212 1.00 0.00 C ATOM 981 C VAL D 29 -12.902 0.639 1.461 1.00 0.00 C ATOM 982 O VAL D 29 -13.530 -0.021 2.290 1.00 0.00 O ATOM 983 CB VAL D 29 -10.867 -0.506 0.458 1.00 0.00 C ATOM 984 CG1 VAL D 29 -10.757 -1.489 1.629 1.00 0.00 C ATOM 985 CG2 VAL D 29 -10.243 -1.209 -0.755 1.00 0.00 C ATOM 0 H VAL D 29 -11.468 1.008 -1.382 1.00 0.00 H new ATOM 0 HA VAL D 29 -12.936 -0.919 0.005 1.00 0.00 H new ATOM 0 HB VAL D 29 -10.332 0.419 0.673 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -9.716 -1.784 1.760 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -11.116 -1.011 2.540 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -11.361 -2.372 1.421 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -9.223 -1.509 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -10.831 -2.091 -1.007 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -10.231 -0.526 -1.605 1.00 0.00 H new ATOM 995 N THR D 30 -12.822 1.965 1.557 1.00 0.00 N ATOM 996 CA THR D 30 -13.333 2.717 2.697 1.00 0.00 C ATOM 997 C THR D 30 -14.622 3.460 2.402 1.00 0.00 C ATOM 998 O THR D 30 -15.200 4.050 3.316 1.00 0.00 O ATOM 999 CB THR D 30 -12.255 3.708 3.157 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.819 4.520 2.083 1.00 0.00 O ATOM 1001 CG2 THR D 30 -11.071 2.947 3.732 1.00 0.00 C ATOM 0 H THR D 30 -12.397 2.551 0.838 1.00 0.00 H new ATOM 0 HA THR D 30 -13.568 1.998 3.482 1.00 0.00 H new ATOM 0 HB THR D 30 -12.688 4.352 3.923 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.224 4.002 1.502 1.00 0.00 H new ATOM 0 HG21 THR D 30 -10.308 3.654 4.058 1.00 0.00 H new ATOM 0 HG22 THR D 30 -11.400 2.351 4.583 1.00 0.00 H new ATOM 0 HG23 THR D 30 -10.655 2.290 2.968 1.00 0.00 H new ATOM 1009 N ARG D 31 -15.137 3.361 1.176 1.00 0.00 N ATOM 1010 CA ARG D 31 -16.334 4.070 0.724 1.00 0.00 C ATOM 1011 C ARG D 31 -16.109 5.574 0.983 1.00 0.00 C ATOM 1012 O ARG D 31 -17.085 6.310 1.108 1.00 0.00 O ATOM 1013 CB ARG D 31 -17.605 3.488 1.391 1.00 0.00 C ATOM 1014 CG ARG D 31 -18.926 3.789 0.652 1.00 0.00 C ATOM 1015 CD ARG D 31 -20.139 3.737 1.603 1.00 0.00 C ATOM 1016 NE ARG D 31 -21.434 3.802 0.898 1.00 0.00 N ATOM 1017 CZ ARG D 31 -22.010 4.882 0.350 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -21.480 6.090 0.491 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -23.109 4.738 -0.378 1.00 0.00 N ATOM 0 H ARG D 31 -14.724 2.772 0.453 1.00 0.00 H new ATOM 0 HA ARG D 31 -16.503 3.935 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.491 2.407 1.474 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.676 3.880 2.406 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -18.868 4.775 0.191 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -19.064 3.068 -0.153 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -20.096 2.817 2.186 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -20.075 4.565 2.309 1.00 0.00 H new ATOM 0 HE ARG D 31 -21.950 2.926 0.819 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -20.619 6.210 1.024 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -21.934 6.899 0.066 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -23.510 3.811 -0.518 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -23.553 5.555 -0.798 1.00 0.00 H new ATOM 1033 N HIS D 32 -14.855 6.053 1.011 1.00 0.00 N ATOM 1034 CA HIS D 32 -14.445 7.434 1.272 1.00 0.00 C ATOM 1035 C HIS D 32 -14.906 7.835 2.676 1.00 0.00 C ATOM 1036 O HIS D 32 -15.810 8.659 2.845 1.00 0.00 O ATOM 1037 CB HIS D 32 -14.948 8.348 0.150 1.00 0.00 C ATOM 1038 CG HIS D 32 -14.264 9.678 -0.022 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -12.916 9.897 -0.039 1.00 0.00 N flip ATOM 1040 CD2 HIS D 32 -14.876 10.843 -0.422 1.00 0.00 C flip ATOM 1041 CE1 HIS D 32 -12.695 11.213 -0.456 1.00 0.00 C flip ATOM 1042 NE2 HIS D 32 -13.912 11.746 -0.657 1.00 0.00 N flip ATOM 0 H HIS D 32 -14.054 5.445 0.841 1.00 0.00 H new ATOM 0 HA HIS D 32 -13.360 7.535 1.264 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -14.865 7.803 -0.790 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -16.009 8.534 0.318 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -15.939 11.002 -0.528 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -11.741 11.701 -0.589 1.00 0.00 H new ATOM 0 HE2 HIS D 32 -14.080 12.709 -0.949 1.00 0.00 H new ATOM 1050 N ARG D 33 -14.373 7.135 3.685 1.00 0.00 N ATOM 1051 CA ARG D 33 -14.685 7.339 5.101 1.00 0.00 C ATOM 1052 C ARG D 33 -13.415 7.294 5.964 1.00 0.00 C ATOM 1053 O ARG D 33 -13.436 6.688 7.042 1.00 0.00 O ATOM 1054 CB ARG D 33 -15.731 6.310 5.576 1.00 0.00 C ATOM 1055 CG ARG D 33 -17.092 6.348 4.859 1.00 0.00 C ATOM 1056 CD ARG D 33 -17.925 5.093 5.156 1.00 0.00 C ATOM 1057 NE ARG D 33 -18.094 4.859 6.598 1.00 0.00 N ATOM 1058 CZ ARG D 33 -18.628 3.779 7.175 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -19.005 2.728 6.451 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -18.763 3.775 8.494 1.00 0.00 N ATOM 0 H ARG D 33 -13.693 6.390 3.532 1.00 0.00 H new ATOM 0 HA ARG D 33 -15.115 8.334 5.217 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -15.309 5.312 5.458 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -15.901 6.460 6.642 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -17.644 7.234 5.173 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -16.935 6.435 3.784 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -18.905 5.192 4.690 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -17.444 4.226 4.704 1.00 0.00 H new ATOM 0 HE ARG D 33 -17.770 5.598 7.222 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -18.888 2.738 5.438 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -19.411 1.912 6.909 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -18.462 4.583 9.040 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -19.167 2.964 8.963 1.00 0.00 H new ATOM 1074 N TYR D 34 -12.273 7.770 5.455 1.00 0.00 N ATOM 1075 CA TYR D 34 -11.029 7.778 6.227 1.00 0.00 C ATOM 1076 C TYR D 34 -11.235 8.634 7.487 1.00 0.00 C ATOM 1077 O TYR D 34 -12.150 9.457 7.580 1.00 0.00 O ATOM 1078 CB TYR D 34 -9.864 8.363 5.412 1.00 0.00 C ATOM 1079 CG TYR D 34 -9.175 7.475 4.387 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -9.866 6.995 3.257 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -7.781 7.291 4.470 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -9.163 6.473 2.158 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -7.073 6.761 3.379 1.00 0.00 C ATOM 1084 CZ TYR D 34 -7.754 6.405 2.198 1.00 0.00 C ATOM 1085 OH TYR D 34 -7.039 6.088 1.086 1.00 0.00 O ATOM 0 H TYR D 34 -12.186 8.154 4.514 1.00 0.00 H new ATOM 0 HA TYR D 34 -10.780 6.750 6.489 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -10.235 9.245 4.890 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -9.106 8.705 6.117 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -10.945 7.029 3.235 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -7.255 7.558 5.375 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -9.698 6.125 1.287 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -6.004 6.626 3.445 1.00 0.00 H new ATOM 0 HH TYR D 34 -6.083 6.090 1.300 1.00 0.00 H new