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= 1.22 K(o=2.5,f=-2.3!) USER MOD Set 1.2: D 32 HIS : no HE2:sc= 0.0368 K(o=2.5,f=-0.17) USER MOD Set 1.3: D 34 TYR OH : rot -162:sc= 1.2 USER MOD Set 2.1: C 27 ASN : amide:sc= 0.235 K(o=1.1,f=-2.4!) USER MOD Set 2.2: C 32 HIS : no HD1:sc= 0 K(o=1.1,f=0.57) USER MOD Set 2.3: C 34 TYR OH : rot 85:sc= 0.896 USER MOD Single : C 19 TYR OH : rot -5:sc= 0.644 USER MOD Single : C 20 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : C 23 GLN : amide:sc=-0.00394 X(o=-0.0039,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 30 THR OG1 : rot -64:sc= 1.41 USER MOD Single : D 19 TYR OH : rot 145:sc= 0.345 USER MOD Single : D 20 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : D 23 GLN : amide:sc= -0.177 X(o=-0.18,f=0) 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 -80:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 121 N PRO C 11 -7.142 -7.889 7.093 1.00 0.00 N ATOM 122 CA PRO C 11 -8.454 -7.255 7.142 1.00 0.00 C ATOM 123 C PRO C 11 -8.363 -5.803 6.660 1.00 0.00 C ATOM 124 O PRO C 11 -7.358 -5.133 6.915 1.00 0.00 O ATOM 125 CB PRO C 11 -8.899 -7.366 8.605 1.00 0.00 C ATOM 126 CG PRO C 11 -7.582 -7.434 9.378 1.00 0.00 C ATOM 127 CD PRO C 11 -6.646 -8.168 8.426 1.00 0.00 C ATOM 0 HA PRO C 11 -9.180 -7.733 6.484 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -9.498 -6.507 8.908 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -9.508 -8.254 8.772 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -7.208 -6.439 9.621 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -7.697 -7.970 10.320 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -5.619 -7.821 8.542 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -6.645 -9.239 8.627 1.00 0.00 H new ATOM 135 N VAL C 12 -9.395 -5.303 5.963 1.00 0.00 N ATOM 136 CA VAL C 12 -9.393 -3.928 5.456 1.00 0.00 C ATOM 137 C VAL C 12 -9.192 -2.915 6.586 1.00 0.00 C ATOM 138 O VAL C 12 -8.460 -1.952 6.395 1.00 0.00 O ATOM 139 CB VAL C 12 -10.645 -3.579 4.620 1.00 0.00 C ATOM 140 CG1 VAL C 12 -10.595 -4.249 3.243 1.00 0.00 C ATOM 141 CG2 VAL C 12 -11.980 -3.931 5.283 1.00 0.00 C ATOM 0 H VAL C 12 -10.238 -5.831 5.740 1.00 0.00 H new ATOM 0 HA VAL C 12 -8.543 -3.865 4.777 1.00 0.00 H new ATOM 0 HB VAL C 12 -10.610 -2.493 4.529 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -11.489 -3.985 2.677 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -9.711 -3.908 2.704 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -10.550 -5.331 3.366 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -12.800 -3.650 4.622 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -12.020 -5.003 5.474 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -12.072 -3.391 6.225 1.00 0.00 H new ATOM 151 N GLU C 13 -9.718 -3.192 7.778 1.00 0.00 N ATOM 152 CA GLU C 13 -9.627 -2.329 8.946 1.00 0.00 C ATOM 153 C GLU C 13 -8.184 -1.927 9.258 1.00 0.00 C ATOM 154 O GLU C 13 -7.906 -0.756 9.529 1.00 0.00 O ATOM 155 CB GLU C 13 -10.229 -3.115 10.128 1.00 0.00 C ATOM 156 CG GLU C 13 -10.634 -2.232 11.310 1.00 0.00 C ATOM 157 CD GLU C 13 -12.025 -1.627 11.123 1.00 0.00 C ATOM 158 OE1 GLU C 13 -12.379 -1.272 9.981 1.00 0.00 O ATOM 159 OE2 GLU C 13 -12.806 -1.645 12.104 1.00 0.00 O ATOM 0 H GLU C 13 -10.235 -4.052 7.959 1.00 0.00 H new ATOM 0 HA GLU C 13 -10.168 -1.401 8.761 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -11.104 -3.665 9.780 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -9.503 -3.853 10.469 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -10.616 -2.822 12.226 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -9.904 -1.432 11.431 1.00 0.00 H new ATOM 166 N ASP C 14 -7.311 -2.927 9.345 1.00 0.00 N ATOM 167 CA ASP C 14 -5.889 -2.793 9.635 1.00 0.00 C ATOM 168 C ASP C 14 -5.165 -2.266 8.400 1.00 0.00 C ATOM 169 O ASP C 14 -4.378 -1.327 8.500 1.00 0.00 O ATOM 170 CB ASP C 14 -5.353 -4.176 10.021 1.00 0.00 C ATOM 171 CG ASP C 14 -3.844 -4.191 10.258 1.00 0.00 C ATOM 172 OD1 ASP C 14 -3.409 -3.815 11.374 1.00 0.00 O ATOM 173 OD2 ASP C 14 -3.189 -4.990 9.555 1.00 0.00 O ATOM 0 H ASP C 14 -7.591 -3.898 9.208 1.00 0.00 H new ATOM 0 HA ASP C 14 -5.725 -2.092 10.453 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -5.860 -4.516 10.924 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -5.598 -4.887 9.232 1.00 0.00 H new ATOM 178 N LEU C 15 -5.522 -2.788 7.218 1.00 0.00 N ATOM 179 CA LEU C 15 -4.938 -2.409 5.936 1.00 0.00 C ATOM 180 C LEU C 15 -5.041 -0.906 5.698 1.00 0.00 C ATOM 181 O LEU C 15 -4.032 -0.290 5.395 1.00 0.00 O ATOM 182 CB LEU C 15 -5.586 -3.201 4.789 1.00 0.00 C ATOM 183 CG LEU C 15 -4.994 -2.915 3.392 1.00 0.00 C ATOM 184 CD1 LEU C 15 -3.501 -3.237 3.301 1.00 0.00 C ATOM 185 CD2 LEU C 15 -5.747 -3.749 2.351 1.00 0.00 C ATOM 0 H LEU C 15 -6.244 -3.503 7.131 1.00 0.00 H new ATOM 0 HA LEU C 15 -3.878 -2.660 5.964 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -5.487 -4.266 5.000 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -6.653 -2.978 4.769 1.00 0.00 H new ATOM 0 HG LEU C 15 -5.108 -1.847 3.204 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -3.142 -3.016 2.296 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -2.954 -2.632 4.024 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -3.343 -4.293 3.518 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -5.335 -3.553 1.361 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -5.639 -4.808 2.586 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -6.803 -3.480 2.364 1.00 0.00 H new ATOM 197 N ILE C 16 -6.230 -0.315 5.821 1.00 0.00 N ATOM 198 CA ILE C 16 -6.488 1.110 5.610 1.00 0.00 C ATOM 199 C ILE C 16 -5.567 1.982 6.465 1.00 0.00 C ATOM 200 O ILE C 16 -5.110 3.030 5.992 1.00 0.00 O ATOM 201 CB ILE C 16 -7.971 1.406 5.953 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.946 0.783 4.932 1.00 0.00 C ATOM 203 CG2 ILE C 16 -8.295 2.913 6.095 1.00 0.00 C ATOM 204 CD1 ILE C 16 -10.313 0.477 5.557 1.00 0.00 C ATOM 0 H ILE C 16 -7.069 -0.834 6.079 1.00 0.00 H new ATOM 0 HA ILE C 16 -6.287 1.350 4.566 1.00 0.00 H new ATOM 0 HB ILE C 16 -8.113 0.939 6.928 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -9.076 1.465 4.092 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -8.516 -0.136 4.533 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -9.351 3.037 6.335 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.689 3.342 6.893 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -8.074 3.423 5.157 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.968 0.040 4.803 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -10.187 -0.226 6.380 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.756 1.399 5.932 1.00 0.00 H new ATOM 216 N ARG C 17 -5.486 1.670 7.759 1.00 0.00 N ATOM 217 CA ARG C 17 -4.698 2.410 8.730 1.00 0.00 C ATOM 218 C ARG C 17 -3.211 2.271 8.465 1.00 0.00 C ATOM 219 O ARG C 17 -2.606 3.263 8.056 1.00 0.00 O ATOM 220 CB ARG C 17 -5.132 1.996 10.152 1.00 0.00 C ATOM 221 CG ARG C 17 -4.922 3.124 11.175 1.00 0.00 C ATOM 222 CD ARG C 17 -5.512 2.760 12.547 1.00 0.00 C ATOM 223 NE ARG C 17 -6.986 2.812 12.570 1.00 0.00 N ATOM 224 CZ ARG C 17 -7.770 2.385 13.571 1.00 0.00 C ATOM 225 NH1 ARG C 17 -7.254 1.844 14.670 1.00 0.00 N ATOM 226 NH2 ARG C 17 -9.085 2.545 13.482 1.00 0.00 N ATOM 0 H ARG C 17 -5.981 0.876 8.165 1.00 0.00 H new ATOM 0 HA ARG C 17 -4.891 3.478 8.634 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -6.184 1.710 10.140 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -4.566 1.117 10.461 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -3.856 3.328 11.279 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -5.388 4.039 10.809 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.184 1.758 12.823 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -5.118 3.443 13.299 1.00 0.00 H new ATOM 0 HE ARG C 17 -7.450 3.208 11.752 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -6.243 1.747 14.764 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -7.869 1.526 15.419 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -9.490 2.989 12.658 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -9.690 2.224 14.238 1.00 0.00 H new ATOM 240 N PHE C 18 -2.662 1.058 8.552 1.00 0.00 N ATOM 241 CA PHE C 18 -1.237 0.888 8.333 1.00 0.00 C ATOM 242 C PHE C 18 -0.810 1.258 6.912 1.00 0.00 C ATOM 243 O PHE C 18 0.274 1.795 6.787 1.00 0.00 O ATOM 244 CB PHE C 18 -0.726 -0.476 8.825 1.00 0.00 C ATOM 245 CG PHE C 18 -0.305 -1.466 7.758 1.00 0.00 C ATOM 246 CD1 PHE C 18 -1.283 -2.073 6.955 1.00 0.00 C ATOM 247 CD2 PHE C 18 1.055 -1.794 7.581 1.00 0.00 C ATOM 248 CE1 PHE C 18 -0.910 -3.011 5.979 1.00 0.00 C ATOM 249 CE2 PHE C 18 1.425 -2.760 6.629 1.00 0.00 C ATOM 250 CZ PHE C 18 0.441 -3.360 5.828 1.00 0.00 C ATOM 0 H PHE C 18 -3.173 0.202 8.767 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.727 1.616 8.965 1.00 0.00 H new ATOM 0 HB2 PHE C 18 0.124 -0.304 9.485 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -1.509 -0.936 9.427 1.00 0.00 H new ATOM 0 HD1 PHE C 18 -2.324 -1.818 7.088 1.00 0.00 H new ATOM 0 HD2 PHE C 18 1.811 -1.304 8.176 1.00 0.00 H new ATOM 0 HE1 PHE C 18 -1.660 -3.462 5.347 1.00 0.00 H new ATOM 0 HE2 PHE C 18 2.462 -3.039 6.515 1.00 0.00 H new ATOM 0 HZ PHE C 18 0.725 -4.096 5.090 1.00 0.00 H new ATOM 260 N TYR C 19 -1.640 1.131 5.863 1.00 0.00 N ATOM 261 CA TYR C 19 -1.256 1.500 4.486 1.00 0.00 C ATOM 262 C TYR C 19 -0.819 2.967 4.408 1.00 0.00 C ATOM 263 O TYR C 19 0.025 3.322 3.580 1.00 0.00 O ATOM 264 CB TYR C 19 -2.435 1.264 3.516 1.00 0.00 C ATOM 265 CG TYR C 19 -2.347 1.973 2.175 1.00 0.00 C ATOM 266 CD1 TYR C 19 -1.631 1.408 1.103 1.00 0.00 C ATOM 267 CD2 TYR C 19 -2.984 3.219 2.009 1.00 0.00 C ATOM 268 CE1 TYR C 19 -1.522 2.109 -0.114 1.00 0.00 C ATOM 269 CE2 TYR C 19 -2.904 3.915 0.792 1.00 0.00 C ATOM 270 CZ TYR C 19 -2.134 3.375 -0.269 1.00 0.00 C ATOM 271 OH TYR C 19 -1.987 4.066 -1.432 1.00 0.00 O ATOM 0 H TYR C 19 -2.591 0.772 5.943 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.416 0.869 4.197 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.520 0.193 3.333 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.355 1.577 4.010 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -1.166 0.439 1.213 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -3.542 3.645 2.830 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -0.968 1.677 -0.934 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -3.424 4.853 0.665 1.00 0.00 H new ATOM 0 HH TYR C 19 -1.367 3.587 -2.021 1.00 0.00 H new ATOM 281 N ASN C 20 -1.476 3.826 5.188 1.00 0.00 N ATOM 282 CA ASN C 20 -1.197 5.250 5.257 1.00 0.00 C ATOM 283 C ASN C 20 0.183 5.443 5.871 1.00 0.00 C ATOM 284 O ASN C 20 1.041 6.067 5.254 1.00 0.00 O ATOM 285 CB ASN C 20 -2.302 5.926 6.086 1.00 0.00 C ATOM 286 CG ASN C 20 -2.396 7.425 5.843 1.00 0.00 C ATOM 287 OD1 ASN C 20 -1.396 8.139 5.792 1.00 0.00 O ATOM 288 ND2 ASN C 20 -3.614 7.933 5.724 1.00 0.00 N ATOM 0 H ASN C 20 -2.236 3.537 5.804 1.00 0.00 H new ATOM 0 HA ASN C 20 -1.192 5.708 4.268 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -3.260 5.464 5.848 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -2.115 5.746 7.145 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -3.737 8.936 5.587 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -4.429 7.321 5.770 1.00 0.00 H new ATOM 295 N ASP C 21 0.437 4.841 7.036 1.00 0.00 N ATOM 296 CA ASP C 21 1.748 4.978 7.683 1.00 0.00 C ATOM 297 C ASP C 21 2.872 4.238 6.933 1.00 0.00 C ATOM 298 O ASP C 21 4.028 4.668 6.920 1.00 0.00 O ATOM 299 CB ASP C 21 1.681 4.528 9.142 1.00 0.00 C ATOM 300 CG ASP C 21 2.929 5.001 9.880 1.00 0.00 C ATOM 301 OD1 ASP C 21 3.114 6.244 9.955 1.00 0.00 O ATOM 302 OD2 ASP C 21 3.646 4.140 10.431 1.00 0.00 O ATOM 0 H ASP C 21 -0.233 4.264 7.544 1.00 0.00 H new ATOM 0 HA ASP C 21 2.001 6.038 7.650 1.00 0.00 H new ATOM 0 HB2 ASP C 21 0.789 4.934 9.618 1.00 0.00 H new ATOM 0 HB3 ASP C 21 1.604 3.442 9.195 1.00 0.00 H new ATOM 307 N LEU C 22 2.523 3.204 6.162 1.00 0.00 N ATOM 308 CA LEU C 22 3.398 2.370 5.347 1.00 0.00 C ATOM 309 C LEU C 22 4.009 3.186 4.201 1.00 0.00 C ATOM 310 O LEU C 22 4.886 2.700 3.495 1.00 0.00 O ATOM 311 CB LEU C 22 2.587 1.171 4.823 1.00 0.00 C ATOM 312 CG LEU C 22 3.395 0.060 4.143 1.00 0.00 C ATOM 313 CD1 LEU C 22 4.210 -0.746 5.158 1.00 0.00 C ATOM 314 CD2 LEU C 22 2.445 -0.886 3.408 1.00 0.00 C ATOM 0 H LEU C 22 1.549 2.910 6.089 1.00 0.00 H new ATOM 0 HA LEU C 22 4.228 2.000 5.949 1.00 0.00 H new ATOM 0 HB2 LEU C 22 2.039 0.735 5.658 1.00 0.00 H new ATOM 0 HB3 LEU C 22 1.846 1.541 4.114 1.00 0.00 H new ATOM 0 HG LEU C 22 4.085 0.531 3.442 1.00 0.00 H new ATOM 0 HD11 LEU C 22 4.770 -1.524 4.639 1.00 0.00 H new ATOM 0 HD12 LEU C 22 4.904 -0.084 5.676 1.00 0.00 H new ATOM 0 HD13 LEU C 22 3.537 -1.205 5.883 1.00 0.00 H new ATOM 0 HD21 LEU C 22 3.020 -1.676 2.925 1.00 0.00 H new ATOM 0 HD22 LEU C 22 1.749 -1.328 4.120 1.00 0.00 H new ATOM 0 HD23 LEU C 22 1.888 -0.329 2.654 1.00 0.00 H new ATOM 326 N GLN C 23 3.596 4.439 4.003 1.00 0.00 N ATOM 327 CA GLN C 23 4.135 5.288 2.958 1.00 0.00 C ATOM 328 C GLN C 23 5.670 5.385 3.082 1.00 0.00 C ATOM 329 O GLN C 23 6.387 5.342 2.077 1.00 0.00 O ATOM 330 CB GLN C 23 3.392 6.632 3.003 1.00 0.00 C ATOM 331 CG GLN C 23 3.810 7.557 4.160 1.00 0.00 C ATOM 332 CD GLN C 23 3.028 8.864 4.144 1.00 0.00 C ATOM 333 OE1 GLN C 23 2.398 9.235 5.127 1.00 0.00 O ATOM 334 NE2 GLN C 23 3.105 9.617 3.061 1.00 0.00 N ATOM 0 H GLN C 23 2.876 4.888 4.569 1.00 0.00 H new ATOM 0 HA GLN C 23 3.968 4.867 1.966 1.00 0.00 H new ATOM 0 HB2 GLN C 23 3.556 7.154 2.060 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.322 6.438 3.079 1.00 0.00 H new ATOM 0 HG2 GLN C 23 3.649 7.048 5.110 1.00 0.00 H new ATOM 0 HG3 GLN C 23 4.877 7.770 4.089 1.00 0.00 H new ATOM 0 HE21 GLN C 23 3.634 9.293 2.251 1.00 0.00 H new ATOM 0 HE22 GLN C 23 2.636 10.522 3.035 1.00 0.00 H new ATOM 343 N GLN C 24 6.190 5.397 4.315 1.00 0.00 N ATOM 344 CA GLN C 24 7.619 5.471 4.607 1.00 0.00 C ATOM 345 C GLN C 24 8.335 4.139 4.341 1.00 0.00 C ATOM 346 O GLN C 24 9.558 4.087 4.451 1.00 0.00 O ATOM 347 CB GLN C 24 7.869 5.886 6.062 1.00 0.00 C ATOM 348 CG GLN C 24 6.904 6.886 6.704 1.00 0.00 C ATOM 349 CD GLN C 24 7.343 7.112 8.147 1.00 0.00 C ATOM 350 OE1 GLN C 24 7.031 6.334 9.045 1.00 0.00 O ATOM 351 NE2 GLN C 24 8.243 8.047 8.366 1.00 0.00 N ATOM 0 H GLN C 24 5.612 5.354 5.154 1.00 0.00 H new ATOM 0 HA GLN C 24 8.026 6.227 3.935 1.00 0.00 H new ATOM 0 HB2 GLN C 24 7.866 4.982 6.671 1.00 0.00 H new ATOM 0 HB3 GLN C 24 8.873 6.307 6.121 1.00 0.00 H new ATOM 0 HG2 GLN C 24 6.909 7.827 6.153 1.00 0.00 H new ATOM 0 HG3 GLN C 24 5.884 6.504 6.672 1.00 0.00 H new ATOM 0 HE21 GLN C 24 8.501 8.692 7.619 1.00 0.00 H new ATOM 0 HE22 GLN C 24 8.683 8.127 9.283 1.00 0.00 H new ATOM 360 N TYR C 25 7.629 3.045 4.059 1.00 0.00 N ATOM 361 CA TYR C 25 8.245 1.755 3.766 1.00 0.00 C ATOM 362 C TYR C 25 8.986 1.904 2.438 1.00 0.00 C ATOM 363 O TYR C 25 10.180 1.617 2.340 1.00 0.00 O ATOM 364 CB TYR C 25 7.156 0.677 3.688 1.00 0.00 C ATOM 365 CG TYR C 25 7.648 -0.736 3.472 1.00 0.00 C ATOM 366 CD1 TYR C 25 8.065 -1.153 2.197 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.648 -1.653 4.537 1.00 0.00 C ATOM 368 CE1 TYR C 25 8.553 -2.455 2.010 1.00 0.00 C ATOM 369 CE2 TYR C 25 8.156 -2.951 4.358 1.00 0.00 C ATOM 370 CZ TYR C 25 8.633 -3.349 3.094 1.00 0.00 C ATOM 371 OH TYR C 25 9.172 -4.583 2.928 1.00 0.00 O ATOM 0 H TYR C 25 6.610 3.030 4.028 1.00 0.00 H new ATOM 0 HA TYR C 25 8.945 1.453 4.545 1.00 0.00 H new ATOM 0 HB2 TYR C 25 6.577 0.704 4.611 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.474 0.933 2.877 1.00 0.00 H new ATOM 0 HD1 TYR C 25 8.010 -0.472 1.361 1.00 0.00 H new ATOM 0 HD2 TYR C 25 7.255 -1.358 5.499 1.00 0.00 H new ATOM 0 HE1 TYR C 25 8.869 -2.773 1.028 1.00 0.00 H new ATOM 0 HE2 TYR C 25 8.181 -3.642 5.188 1.00 0.00 H new ATOM 0 HH TYR C 25 9.149 -5.067 3.780 1.00 0.00 H new ATOM 381 N LEU C 26 8.302 2.481 1.440 1.00 0.00 N ATOM 382 CA LEU C 26 8.839 2.716 0.105 1.00 0.00 C ATOM 383 C LEU C 26 10.048 3.656 0.181 1.00 0.00 C ATOM 384 O LEU C 26 10.981 3.531 -0.624 1.00 0.00 O ATOM 385 CB LEU C 26 7.748 3.268 -0.835 1.00 0.00 C ATOM 386 CG LEU C 26 6.581 2.320 -1.191 1.00 0.00 C ATOM 387 CD1 LEU C 26 7.069 0.959 -1.694 1.00 0.00 C ATOM 388 CD2 LEU C 26 5.592 2.089 -0.042 1.00 0.00 C ATOM 0 H LEU C 26 7.340 2.802 1.547 1.00 0.00 H new ATOM 0 HA LEU C 26 9.176 1.767 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU C 26 7.329 4.164 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU C 26 8.227 3.579 -1.764 1.00 0.00 H new ATOM 0 HG LEU C 26 6.055 2.843 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU C 26 6.211 0.330 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU C 26 7.675 1.098 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU C 26 7.669 0.479 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU C 26 4.803 1.413 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU C 26 6.116 1.649 0.806 1.00 0.00 H new ATOM 0 HD23 LEU C 26 5.153 3.041 0.257 1.00 0.00 H new ATOM 400 N ASN C 27 10.072 4.554 1.177 1.00 0.00 N ATOM 401 CA ASN C 27 11.161 5.489 1.403 1.00 0.00 C ATOM 402 C ASN C 27 12.413 4.660 1.699 1.00 0.00 C ATOM 403 O ASN C 27 13.432 4.873 1.047 1.00 0.00 O ATOM 404 CB ASN C 27 10.845 6.463 2.560 1.00 0.00 C ATOM 405 CG ASN C 27 10.043 7.695 2.174 1.00 0.00 C ATOM 406 OD1 ASN C 27 10.044 8.124 1.028 1.00 0.00 O ATOM 407 ND2 ASN C 27 9.281 8.235 3.105 1.00 0.00 N ATOM 0 H ASN C 27 9.316 4.645 1.856 1.00 0.00 H new ATOM 0 HA ASN C 27 11.313 6.111 0.521 1.00 0.00 H new ATOM 0 HB2 ASN C 27 10.297 5.920 3.330 1.00 0.00 H new ATOM 0 HB3 ASN C 27 11.785 6.787 3.006 1.00 0.00 H new ATOM 0 HD21 ASN C 27 8.678 9.025 2.876 1.00 0.00 H new ATOM 0 HD22 ASN C 27 9.295 7.863 4.055 1.00 0.00 H new ATOM 414 N VAL C 28 12.342 3.654 2.581 1.00 0.00 N ATOM 415 CA VAL C 28 13.491 2.807 2.917 1.00 0.00 C ATOM 416 C VAL C 28 13.849 1.854 1.762 1.00 0.00 C ATOM 417 O VAL C 28 15.034 1.605 1.520 1.00 0.00 O ATOM 418 CB VAL C 28 13.252 2.015 4.227 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.577 1.519 4.826 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.519 2.820 5.307 1.00 0.00 C ATOM 0 H VAL C 28 11.488 3.406 3.080 1.00 0.00 H new ATOM 0 HA VAL C 28 14.340 3.472 3.078 1.00 0.00 H new ATOM 0 HB VAL C 28 12.619 1.177 3.935 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.377 0.967 5.744 1.00 0.00 H new ATOM 0 HG12 VAL C 28 15.077 0.866 4.111 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.218 2.372 5.048 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.387 2.202 6.195 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.105 3.703 5.563 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.543 3.129 4.931 1.00 0.00 H new ATOM 430 N VAL C 29 12.877 1.374 0.982 1.00 0.00 N ATOM 431 CA VAL C 29 13.117 0.454 -0.138 1.00 0.00 C ATOM 432 C VAL C 29 13.849 1.112 -1.314 1.00 0.00 C ATOM 433 O VAL C 29 14.659 0.450 -1.972 1.00 0.00 O ATOM 434 CB VAL C 29 11.762 -0.115 -0.613 1.00 0.00 C ATOM 435 CG1 VAL C 29 11.826 -0.910 -1.926 1.00 0.00 C ATOM 436 CG2 VAL C 29 11.173 -1.054 0.441 1.00 0.00 C ATOM 0 H VAL C 29 11.894 1.613 1.109 1.00 0.00 H new ATOM 0 HA VAL C 29 13.769 -0.341 0.223 1.00 0.00 H new ATOM 0 HB VAL C 29 11.144 0.768 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL C 29 10.830 -1.271 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL C 29 12.194 -0.265 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL C 29 12.499 -1.759 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL C 29 10.219 -1.444 0.088 1.00 0.00 H new ATOM 0 HG22 VAL C 29 11.861 -1.881 0.617 1.00 0.00 H new ATOM 0 HG23 VAL C 29 11.019 -0.506 1.371 1.00 0.00 H new ATOM 446 N THR C 30 13.678 2.419 -1.519 1.00 0.00 N ATOM 447 CA THR C 30 14.295 3.125 -2.643 1.00 0.00 C ATOM 448 C THR C 30 15.166 4.308 -2.257 1.00 0.00 C ATOM 449 O THR C 30 15.719 4.956 -3.145 1.00 0.00 O ATOM 450 CB THR C 30 13.161 3.628 -3.558 1.00 0.00 C ATOM 451 OG1 THR C 30 12.319 4.546 -2.872 1.00 0.00 O ATOM 452 CG2 THR C 30 12.275 2.506 -4.097 1.00 0.00 C ATOM 0 H THR C 30 13.112 3.015 -0.915 1.00 0.00 H new ATOM 0 HA THR C 30 14.961 2.414 -3.132 1.00 0.00 H new ATOM 0 HB THR C 30 13.666 4.109 -4.396 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.875 4.089 -2.127 1.00 0.00 H new ATOM 0 HG21 THR C 30 11.498 2.930 -4.733 1.00 0.00 H new ATOM 0 HG22 THR C 30 12.881 1.811 -4.678 1.00 0.00 H new ATOM 0 HG23 THR C 30 11.813 1.975 -3.264 1.00 0.00 H new ATOM 460 N ARG C 31 15.382 4.527 -0.957 1.00 0.00 N ATOM 461 CA ARG C 31 16.114 5.677 -0.433 1.00 0.00 C ATOM 462 C ARG C 31 15.423 6.903 -1.057 1.00 0.00 C ATOM 463 O ARG C 31 16.064 7.750 -1.685 1.00 0.00 O ATOM 464 CB ARG C 31 17.632 5.567 -0.658 1.00 0.00 C ATOM 465 CG ARG C 31 18.368 6.545 0.276 1.00 0.00 C ATOM 466 CD ARG C 31 19.007 5.887 1.506 1.00 0.00 C ATOM 467 NE ARG C 31 18.097 5.027 2.281 1.00 0.00 N ATOM 468 CZ ARG C 31 17.178 5.409 3.174 1.00 0.00 C ATOM 469 NH1 ARG C 31 16.793 6.670 3.298 1.00 0.00 N ATOM 470 NH2 ARG C 31 16.599 4.482 3.918 1.00 0.00 N ATOM 0 H ARG C 31 15.046 3.897 -0.229 1.00 0.00 H new ATOM 0 HA ARG C 31 16.070 5.752 0.654 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.965 4.547 -0.467 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.872 5.791 -1.697 1.00 0.00 H new ATOM 0 HG2 ARG C 31 19.145 7.056 -0.292 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.665 7.307 0.611 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.861 5.292 1.182 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.394 6.668 2.161 1.00 0.00 H new ATOM 0 HE ARG C 31 18.177 4.023 2.118 1.00 0.00 H new ATOM 0 HH11 ARG C 31 17.201 7.389 2.700 1.00 0.00 H new ATOM 0 HH12 ARG C 31 16.089 6.922 3.991 1.00 0.00 H new ATOM 0 HH21 ARG C 31 16.857 3.502 3.803 1.00 0.00 H new ATOM 0 HH22 ARG C 31 15.895 4.747 4.607 1.00 0.00 H new ATOM 484 N HIS C 32 14.087 6.889 -0.934 1.00 0.00 N ATOM 485 CA HIS C 32 13.098 7.837 -1.424 1.00 0.00 C ATOM 486 C HIS C 32 13.436 8.222 -2.864 1.00 0.00 C ATOM 487 O HIS C 32 13.862 9.343 -3.129 1.00 0.00 O ATOM 488 CB HIS C 32 12.965 9.024 -0.462 1.00 0.00 C ATOM 489 CG HIS C 32 11.837 9.974 -0.792 1.00 0.00 C ATOM 490 ND1 HIS C 32 10.635 9.674 -1.405 1.00 0.00 N ATOM 491 CD2 HIS C 32 11.792 11.288 -0.417 1.00 0.00 C ATOM 492 CE1 HIS C 32 9.878 10.783 -1.384 1.00 0.00 C ATOM 493 NE2 HIS C 32 10.532 11.789 -0.775 1.00 0.00 N ATOM 0 H HIS C 32 13.633 6.126 -0.432 1.00 0.00 H new ATOM 0 HA HIS C 32 12.108 7.382 -1.451 1.00 0.00 H new ATOM 0 HB2 HIS C 32 12.818 8.642 0.548 1.00 0.00 H new ATOM 0 HB3 HIS C 32 13.903 9.580 -0.459 1.00 0.00 H new ATOM 0 HD2 HIS C 32 12.584 11.840 0.067 1.00 0.00 H new ATOM 0 HE1 HIS C 32 8.883 10.857 -1.798 1.00 0.00 H new ATOM 0 HE2 HIS C 32 10.180 12.731 -0.607 1.00 0.00 H new ATOM 501 N ARG C 33 13.248 7.300 -3.815 1.00 0.00 N ATOM 502 CA ARG C 33 13.567 7.570 -5.217 1.00 0.00 C ATOM 503 C ARG C 33 12.552 6.908 -6.139 1.00 0.00 C ATOM 504 O ARG C 33 12.851 5.938 -6.840 1.00 0.00 O ATOM 505 CB ARG C 33 15.032 7.154 -5.440 1.00 0.00 C ATOM 506 CG ARG C 33 15.730 7.635 -6.718 1.00 0.00 C ATOM 507 CD ARG C 33 15.608 9.141 -7.000 1.00 0.00 C ATOM 508 NE ARG C 33 16.761 9.645 -7.769 1.00 0.00 N ATOM 509 CZ ARG C 33 16.998 9.536 -9.083 1.00 0.00 C ATOM 510 NH1 ARG C 33 16.166 8.897 -9.899 1.00 0.00 N ATOM 511 NH2 ARG C 33 18.100 10.070 -9.590 1.00 0.00 N ATOM 0 H ARG C 33 12.878 6.366 -3.638 1.00 0.00 H new ATOM 0 HA ARG C 33 13.487 8.629 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG C 33 15.613 7.508 -4.589 1.00 0.00 H new ATOM 0 HB3 ARG C 33 15.076 6.065 -5.425 1.00 0.00 H new ATOM 0 HG2 ARG C 33 16.787 7.377 -6.655 1.00 0.00 H new ATOM 0 HG3 ARG C 33 15.319 7.088 -7.566 1.00 0.00 H new ATOM 0 HD2 ARG C 33 14.689 9.335 -7.553 1.00 0.00 H new ATOM 0 HD3 ARG C 33 15.534 9.683 -6.057 1.00 0.00 H new ATOM 0 HE ARG C 33 17.471 10.141 -7.230 1.00 0.00 H new ATOM 0 HH11 ARG C 33 15.316 8.471 -9.529 1.00 0.00 H new ATOM 0 HH12 ARG C 33 16.377 8.833 -10.895 1.00 0.00 H new ATOM 0 HH21 ARG C 33 18.757 10.558 -8.981 1.00 0.00 H new ATOM 0 HH22 ARG C 33 18.291 9.993 -10.589 1.00 0.00 H new ATOM 525 N TYR C 34 11.309 7.382 -6.055 1.00 0.00 N ATOM 526 CA TYR C 34 10.196 6.897 -6.866 1.00 0.00 C ATOM 527 C TYR C 34 10.300 7.470 -8.285 1.00 0.00 C ATOM 528 O TYR C 34 9.575 7.065 -9.186 1.00 0.00 O ATOM 529 CB TYR C 34 8.862 7.333 -6.231 1.00 0.00 C ATOM 530 CG TYR C 34 8.682 7.134 -4.730 1.00 0.00 C ATOM 531 CD1 TYR C 34 9.452 6.195 -4.014 1.00 0.00 C ATOM 532 CD2 TYR C 34 7.737 7.922 -4.042 1.00 0.00 C ATOM 533 CE1 TYR C 34 9.290 6.054 -2.628 1.00 0.00 C ATOM 534 CE2 TYR C 34 7.573 7.792 -2.652 1.00 0.00 C ATOM 535 CZ TYR C 34 8.345 6.845 -1.943 1.00 0.00 C ATOM 536 OH TYR C 34 8.204 6.693 -0.605 1.00 0.00 O ATOM 0 H TYR C 34 11.044 8.127 -5.410 1.00 0.00 H new ATOM 0 HA TYR C 34 10.236 5.809 -6.913 1.00 0.00 H new ATOM 0 HB2 TYR C 34 8.721 8.392 -6.446 1.00 0.00 H new ATOM 0 HB3 TYR C 34 8.060 6.795 -6.737 1.00 0.00 H new ATOM 0 HD1 TYR C 34 10.171 5.581 -4.536 1.00 0.00 H new ATOM 0 HD2 TYR C 34 7.134 8.632 -4.588 1.00 0.00 H new ATOM 0 HE1 TYR C 34 9.890 5.339 -2.085 1.00 0.00 H new ATOM 0 HE2 TYR C 34 6.861 8.413 -2.129 1.00 0.00 H new ATOM 0 HH TYR C 34 8.874 7.237 -0.141 1.00 0.00 H new ATOM 670 N PRO D 11 7.503 -8.332 -6.311 1.00 0.00 N ATOM 671 CA PRO D 11 8.784 -7.718 -6.015 1.00 0.00 C ATOM 672 C PRO D 11 8.622 -6.222 -5.777 1.00 0.00 C ATOM 673 O PRO D 11 7.743 -5.578 -6.360 1.00 0.00 O ATOM 674 CB PRO D 11 9.673 -8.011 -7.227 1.00 0.00 C ATOM 675 CG PRO D 11 8.672 -8.109 -8.373 1.00 0.00 C ATOM 676 CD PRO D 11 7.447 -8.731 -7.709 1.00 0.00 C ATOM 0 HA PRO D 11 9.228 -8.117 -5.103 1.00 0.00 H new ATOM 0 HB2 PRO D 11 10.401 -7.217 -7.394 1.00 0.00 H new ATOM 0 HB3 PRO D 11 10.234 -8.937 -7.101 1.00 0.00 H new ATOM 0 HG2 PRO D 11 8.447 -7.130 -8.797 1.00 0.00 H new ATOM 0 HG3 PRO D 11 9.049 -8.730 -9.186 1.00 0.00 H new ATOM 0 HD2 PRO D 11 6.528 -8.380 -8.179 1.00 0.00 H new ATOM 0 HD3 PRO D 11 7.460 -9.817 -7.806 1.00 0.00 H new ATOM 684 N VAL D 12 9.601 -5.659 -5.071 1.00 0.00 N ATOM 685 CA VAL D 12 9.666 -4.252 -4.710 1.00 0.00 C ATOM 686 C VAL D 12 9.429 -3.306 -5.880 1.00 0.00 C ATOM 687 O VAL D 12 8.706 -2.335 -5.691 1.00 0.00 O ATOM 688 CB VAL D 12 11.004 -3.910 -4.022 1.00 0.00 C ATOM 689 CG1 VAL D 12 10.933 -4.271 -2.543 1.00 0.00 C ATOM 690 CG2 VAL D 12 12.240 -4.591 -4.631 1.00 0.00 C ATOM 0 H VAL D 12 10.398 -6.193 -4.724 1.00 0.00 H new ATOM 0 HA VAL D 12 8.846 -4.098 -4.009 1.00 0.00 H new ATOM 0 HB VAL D 12 11.134 -2.839 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL D 12 11.881 -4.027 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL D 12 10.130 -3.706 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL D 12 10.737 -5.338 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL D 12 13.131 -4.289 -4.080 1.00 0.00 H new ATOM 0 HG22 VAL D 12 12.126 -5.673 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL D 12 12.341 -4.295 -5.675 1.00 0.00 H new ATOM 700 N GLU D 13 10.005 -3.594 -7.049 1.00 0.00 N ATOM 701 CA GLU D 13 9.915 -2.793 -8.263 1.00 0.00 C ATOM 702 C GLU D 13 8.480 -2.426 -8.623 1.00 0.00 C ATOM 703 O GLU D 13 8.135 -1.247 -8.684 1.00 0.00 O ATOM 704 CB GLU D 13 10.614 -3.555 -9.408 1.00 0.00 C ATOM 705 CG GLU D 13 11.256 -2.623 -10.442 1.00 0.00 C ATOM 706 CD GLU D 13 12.480 -1.869 -9.909 1.00 0.00 C ATOM 707 OE1 GLU D 13 12.955 -2.145 -8.777 1.00 0.00 O ATOM 708 OE2 GLU D 13 13.062 -1.065 -10.658 1.00 0.00 O ATOM 0 H GLU D 13 10.572 -4.432 -7.177 1.00 0.00 H new ATOM 0 HA GLU D 13 10.420 -1.842 -8.091 1.00 0.00 H new ATOM 0 HB2 GLU D 13 11.381 -4.207 -8.989 1.00 0.00 H new ATOM 0 HB3 GLU D 13 9.888 -4.197 -9.907 1.00 0.00 H new ATOM 0 HG2 GLU D 13 11.551 -3.208 -11.313 1.00 0.00 H new ATOM 0 HG3 GLU D 13 10.513 -1.901 -10.779 1.00 0.00 H new ATOM 715 N ASP D 14 7.653 -3.428 -8.915 1.00 0.00 N ATOM 716 CA ASP D 14 6.267 -3.172 -9.274 1.00 0.00 C ATOM 717 C ASP D 14 5.503 -2.701 -8.049 1.00 0.00 C ATOM 718 O ASP D 14 4.626 -1.848 -8.164 1.00 0.00 O ATOM 719 CB ASP D 14 5.615 -4.439 -9.821 1.00 0.00 C ATOM 720 CG ASP D 14 4.347 -4.072 -10.587 1.00 0.00 C ATOM 721 OD1 ASP D 14 4.506 -3.726 -11.774 1.00 0.00 O ATOM 722 OD2 ASP D 14 3.241 -4.462 -10.142 1.00 0.00 O ATOM 0 H ASP D 14 7.918 -4.413 -8.909 1.00 0.00 H new ATOM 0 HA ASP D 14 6.242 -2.401 -10.044 1.00 0.00 H new ATOM 0 HB2 ASP D 14 6.310 -4.963 -10.477 1.00 0.00 H new ATOM 0 HB3 ASP D 14 5.374 -5.118 -9.003 1.00 0.00 H new ATOM 727 N LEU D 15 5.905 -3.177 -6.863 1.00 0.00 N ATOM 728 CA LEU D 15 5.319 -2.859 -5.566 1.00 0.00 C ATOM 729 C LEU D 15 5.626 -1.424 -5.075 1.00 0.00 C ATOM 730 O LEU D 15 5.351 -1.096 -3.924 1.00 0.00 O ATOM 731 CB LEU D 15 5.635 -3.986 -4.573 1.00 0.00 C ATOM 732 CG LEU D 15 4.780 -4.007 -3.287 1.00 0.00 C ATOM 733 CD1 LEU D 15 3.267 -3.928 -3.517 1.00 0.00 C ATOM 734 CD2 LEU D 15 5.072 -5.308 -2.535 1.00 0.00 C ATOM 0 H LEU D 15 6.688 -3.827 -6.785 1.00 0.00 H new ATOM 0 HA LEU D 15 4.234 -2.825 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU D 15 5.512 -4.941 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU D 15 6.684 -3.910 -4.288 1.00 0.00 H new ATOM 0 HG LEU D 15 5.057 -3.113 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU D 15 2.751 -3.949 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU D 15 3.026 -3.001 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU D 15 2.946 -4.777 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU D 15 4.477 -5.342 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU D 15 4.816 -6.159 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU D 15 6.131 -5.351 -2.280 1.00 0.00 H new ATOM 746 N ILE D 16 6.225 -0.572 -5.911 1.00 0.00 N ATOM 747 CA ILE D 16 6.526 0.836 -5.619 1.00 0.00 C ATOM 748 C ILE D 16 5.499 1.703 -6.366 1.00 0.00 C ATOM 749 O ILE D 16 4.953 2.657 -5.810 1.00 0.00 O ATOM 750 CB ILE D 16 7.972 1.192 -6.071 1.00 0.00 C ATOM 751 CG1 ILE D 16 9.018 0.735 -5.038 1.00 0.00 C ATOM 752 CG2 ILE D 16 8.211 2.693 -6.331 1.00 0.00 C ATOM 753 CD1 ILE D 16 10.354 0.371 -5.690 1.00 0.00 C ATOM 0 H ILE D 16 6.526 -0.852 -6.845 1.00 0.00 H new ATOM 0 HA ILE D 16 6.464 1.018 -4.546 1.00 0.00 H new ATOM 0 HB ILE D 16 8.085 0.659 -7.015 1.00 0.00 H new ATOM 0 HG12 ILE D 16 9.176 1.529 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE D 16 8.635 -0.128 -4.493 1.00 0.00 H new ATOM 0 HG21 ILE D 16 9.244 2.849 -6.641 1.00 0.00 H new ATOM 0 HG22 ILE D 16 7.540 3.037 -7.118 1.00 0.00 H new ATOM 0 HG23 ILE D 16 8.018 3.256 -5.418 1.00 0.00 H new ATOM 0 HD11 ILE D 16 11.060 0.055 -4.922 1.00 0.00 H new ATOM 0 HD12 ILE D 16 10.203 -0.442 -6.400 1.00 0.00 H new ATOM 0 HD13 ILE D 16 10.753 1.240 -6.213 1.00 0.00 H new ATOM 765 N ARG D 17 5.284 1.383 -7.645 1.00 0.00 N ATOM 766 CA ARG D 17 4.415 2.078 -8.585 1.00 0.00 C ATOM 767 C ARG D 17 2.921 1.968 -8.365 1.00 0.00 C ATOM 768 O ARG D 17 2.296 2.995 -8.084 1.00 0.00 O ATOM 769 CB ARG D 17 4.845 1.631 -9.996 1.00 0.00 C ATOM 770 CG ARG D 17 4.429 2.660 -11.052 1.00 0.00 C ATOM 771 CD ARG D 17 5.145 2.468 -12.387 1.00 0.00 C ATOM 772 NE ARG D 17 6.603 2.632 -12.256 1.00 0.00 N ATOM 773 CZ ARG D 17 7.534 2.134 -13.073 1.00 0.00 C ATOM 774 NH1 ARG D 17 7.179 1.630 -14.254 1.00 0.00 N ATOM 775 NH2 ARG D 17 8.809 2.174 -12.702 1.00 0.00 N ATOM 0 H ARG D 17 5.744 0.580 -8.074 1.00 0.00 H new ATOM 0 HA ARG D 17 4.556 3.147 -8.426 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.926 1.494 -10.024 1.00 0.00 H new ATOM 0 HB3 ARG D 17 4.395 0.666 -10.228 1.00 0.00 H new ATOM 0 HG2 ARG D 17 3.353 2.595 -11.211 1.00 0.00 H new ATOM 0 HG3 ARG D 17 4.636 3.662 -10.676 1.00 0.00 H new ATOM 0 HD2 ARG D 17 4.925 1.474 -12.778 1.00 0.00 H new ATOM 0 HD3 ARG D 17 4.762 3.187 -13.111 1.00 0.00 H new ATOM 0 HE ARG D 17 6.934 3.180 -11.462 1.00 0.00 H new ATOM 0 HH11 ARG D 17 6.198 1.625 -14.532 1.00 0.00 H new ATOM 0 HH12 ARG D 17 7.889 1.249 -14.880 1.00 0.00 H new ATOM 0 HH21 ARG D 17 9.066 2.581 -11.803 1.00 0.00 H new ATOM 0 HH22 ARG D 17 9.531 1.797 -13.316 1.00 0.00 H new ATOM 789 N PHE D 18 2.323 0.799 -8.600 1.00 0.00 N ATOM 790 CA PHE D 18 0.883 0.663 -8.433 1.00 0.00 C ATOM 791 C PHE D 18 0.407 1.058 -7.033 1.00 0.00 C ATOM 792 O PHE D 18 -0.698 1.547 -6.947 1.00 0.00 O ATOM 793 CB PHE D 18 0.354 -0.708 -8.888 1.00 0.00 C ATOM 794 CG PHE D 18 0.307 -1.774 -7.812 1.00 0.00 C ATOM 795 CD1 PHE D 18 -0.821 -1.886 -6.976 1.00 0.00 C ATOM 796 CD2 PHE D 18 1.400 -2.634 -7.619 1.00 0.00 C ATOM 797 CE1 PHE D 18 -0.827 -2.814 -5.920 1.00 0.00 C ATOM 798 CE2 PHE D 18 1.415 -3.507 -6.520 1.00 0.00 C ATOM 799 CZ PHE D 18 0.302 -3.608 -5.673 1.00 0.00 C ATOM 0 H PHE D 18 2.805 -0.048 -8.900 1.00 0.00 H new ATOM 0 HA PHE D 18 0.434 1.389 -9.111 1.00 0.00 H new ATOM 0 HB2 PHE D 18 -0.651 -0.576 -9.290 1.00 0.00 H new ATOM 0 HB3 PHE D 18 0.979 -1.067 -9.705 1.00 0.00 H new ATOM 0 HD1 PHE D 18 -1.683 -1.258 -7.147 1.00 0.00 H new ATOM 0 HD2 PHE D 18 2.227 -2.624 -8.314 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -1.704 -2.916 -5.297 1.00 0.00 H new ATOM 0 HE2 PHE D 18 2.292 -4.107 -6.325 1.00 0.00 H new ATOM 0 HZ PHE D 18 0.314 -4.292 -4.837 1.00 0.00 H new ATOM 809 N TYR D 19 1.231 1.001 -5.983 1.00 0.00 N ATOM 810 CA TYR D 19 0.956 1.339 -4.585 1.00 0.00 C ATOM 811 C TYR D 19 0.532 2.805 -4.444 1.00 0.00 C ATOM 812 O TYR D 19 -0.298 3.156 -3.601 1.00 0.00 O ATOM 813 CB TYR D 19 2.234 1.042 -3.774 1.00 0.00 C ATOM 814 CG TYR D 19 2.249 1.624 -2.375 1.00 0.00 C ATOM 815 CD1 TYR D 19 2.682 2.951 -2.181 1.00 0.00 C ATOM 816 CD2 TYR D 19 1.791 0.863 -1.283 1.00 0.00 C ATOM 817 CE1 TYR D 19 2.575 3.553 -0.917 1.00 0.00 C ATOM 818 CE2 TYR D 19 1.683 1.459 -0.012 1.00 0.00 C ATOM 819 CZ TYR D 19 2.046 2.815 0.166 1.00 0.00 C ATOM 820 OH TYR D 19 1.887 3.428 1.369 1.00 0.00 O ATOM 0 H TYR D 19 2.195 0.689 -6.102 1.00 0.00 H new ATOM 0 HA TYR D 19 0.127 0.741 -4.207 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.360 -0.038 -3.704 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.093 1.428 -4.322 1.00 0.00 H new ATOM 0 HD1 TYR D 19 3.098 3.507 -3.008 1.00 0.00 H new ATOM 0 HD2 TYR D 19 1.523 -0.174 -1.420 1.00 0.00 H new ATOM 0 HE1 TYR D 19 2.895 4.574 -0.773 1.00 0.00 H new ATOM 0 HE2 TYR D 19 1.323 0.881 0.827 1.00 0.00 H new ATOM 0 HH TYR D 19 1.083 3.081 1.809 1.00 0.00 H new ATOM 830 N ASN D 20 1.173 3.667 -5.230 1.00 0.00 N ATOM 831 CA ASN D 20 0.921 5.100 -5.279 1.00 0.00 C ATOM 832 C ASN D 20 -0.432 5.317 -5.942 1.00 0.00 C ATOM 833 O ASN D 20 -1.214 6.160 -5.509 1.00 0.00 O ATOM 834 CB ASN D 20 2.071 5.711 -6.099 1.00 0.00 C ATOM 835 CG ASN D 20 2.292 7.192 -5.863 1.00 0.00 C ATOM 836 OD1 ASN D 20 1.380 8.006 -5.932 1.00 0.00 O ATOM 837 ND2 ASN D 20 3.549 7.598 -5.845 1.00 0.00 N ATOM 0 H ASN D 20 1.909 3.373 -5.873 1.00 0.00 H new ATOM 0 HA ASN D 20 0.888 5.568 -4.295 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.992 5.177 -5.864 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.871 5.550 -7.158 1.00 0.00 H new ATOM 0 HD21 ASN D 20 3.764 8.594 -5.889 1.00 0.00 H new ATOM 0 HD22 ASN D 20 4.305 6.915 -5.787 1.00 0.00 H new ATOM 844 N ASP D 21 -0.725 4.537 -6.983 1.00 0.00 N ATOM 845 CA ASP D 21 -2.014 4.639 -7.677 1.00 0.00 C ATOM 846 C ASP D 21 -3.145 3.982 -6.863 1.00 0.00 C ATOM 847 O ASP D 21 -4.263 4.497 -6.814 1.00 0.00 O ATOM 848 CB ASP D 21 -1.917 4.009 -9.069 1.00 0.00 C ATOM 849 CG ASP D 21 -2.746 4.833 -10.042 1.00 0.00 C ATOM 850 OD1 ASP D 21 -2.177 5.810 -10.584 1.00 0.00 O ATOM 851 OD2 ASP D 21 -3.812 4.385 -10.511 1.00 0.00 O ATOM 0 H ASP D 21 -0.094 3.832 -7.364 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.256 5.696 -7.784 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -0.878 3.974 -9.395 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -2.278 2.981 -9.043 1.00 0.00 H new ATOM 856 N LEU D 22 -2.795 2.969 -6.056 1.00 0.00 N ATOM 857 CA LEU D 22 -3.613 2.154 -5.163 1.00 0.00 C ATOM 858 C LEU D 22 -4.268 3.010 -4.086 1.00 0.00 C ATOM 859 O LEU D 22 -5.134 2.520 -3.363 1.00 0.00 O ATOM 860 CB LEU D 22 -2.736 1.053 -4.533 1.00 0.00 C ATOM 861 CG LEU D 22 -3.469 -0.094 -3.831 1.00 0.00 C ATOM 862 CD1 LEU D 22 -4.157 -1.027 -4.834 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.468 -0.892 -2.988 1.00 0.00 C ATOM 0 H LEU D 22 -1.820 2.673 -6.014 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.413 1.689 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -2.110 0.627 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -2.068 1.522 -3.811 1.00 0.00 H new ATOM 0 HG LEU D 22 -4.242 0.336 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -4.666 -1.827 -4.297 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -4.884 -0.462 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -3.411 -1.456 -5.503 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -2.985 -1.710 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -1.690 -1.297 -3.634 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -2.016 -0.237 -2.243 1.00 0.00 H new ATOM 875 N GLN D 23 -3.890 4.285 -3.962 1.00 0.00 N ATOM 876 CA GLN D 23 -4.510 5.167 -2.994 1.00 0.00 C ATOM 877 C GLN D 23 -6.023 5.203 -3.324 1.00 0.00 C ATOM 878 O GLN D 23 -6.867 5.215 -2.425 1.00 0.00 O ATOM 879 CB GLN D 23 -3.749 6.507 -2.963 1.00 0.00 C ATOM 880 CG GLN D 23 -4.243 7.596 -3.933 1.00 0.00 C ATOM 881 CD GLN D 23 -3.634 8.972 -3.637 1.00 0.00 C ATOM 882 OE1 GLN D 23 -3.201 9.687 -4.534 1.00 0.00 O ATOM 883 NE2 GLN D 23 -3.757 9.474 -2.417 1.00 0.00 N ATOM 0 H GLN D 23 -3.158 4.721 -4.523 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.444 4.826 -1.961 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -3.798 6.904 -1.949 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.699 6.309 -3.178 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -3.996 7.306 -4.954 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -5.329 7.664 -3.874 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -4.116 8.892 -1.660 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -3.493 10.442 -2.235 1.00 0.00 H new ATOM 892 N GLN D 24 -6.364 5.040 -4.613 1.00 0.00 N ATOM 893 CA GLN D 24 -7.733 4.990 -5.104 1.00 0.00 C ATOM 894 C GLN D 24 -8.435 3.710 -4.629 1.00 0.00 C ATOM 895 O GLN D 24 -9.652 3.720 -4.462 1.00 0.00 O ATOM 896 CB GLN D 24 -7.774 4.990 -6.636 1.00 0.00 C ATOM 897 CG GLN D 24 -7.366 6.318 -7.283 1.00 0.00 C ATOM 898 CD GLN D 24 -8.254 6.591 -8.495 1.00 0.00 C ATOM 899 OE1 GLN D 24 -8.343 5.786 -9.418 1.00 0.00 O ATOM 900 NE2 GLN D 24 -9.159 7.550 -8.386 1.00 0.00 N ATOM 0 H GLN D 24 -5.670 4.938 -5.354 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.238 5.874 -4.714 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -7.115 4.204 -7.004 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -8.784 4.738 -6.960 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -7.459 7.130 -6.561 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -6.320 6.280 -7.587 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -9.097 8.225 -7.624 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -9.919 7.614 -9.064 1.00 0.00 H new ATOM 909 N TYR D 25 -7.729 2.585 -4.494 1.00 0.00 N ATOM 910 CA TYR D 25 -8.314 1.326 -4.039 1.00 0.00 C ATOM 911 C TYR D 25 -8.828 1.519 -2.621 1.00 0.00 C ATOM 912 O TYR D 25 -9.999 1.248 -2.360 1.00 0.00 O ATOM 913 CB TYR D 25 -7.298 0.185 -4.139 1.00 0.00 C ATOM 914 CG TYR D 25 -7.759 -1.130 -3.549 1.00 0.00 C ATOM 915 CD1 TYR D 25 -8.858 -1.799 -4.115 1.00 0.00 C ATOM 916 CD2 TYR D 25 -7.093 -1.678 -2.433 1.00 0.00 C ATOM 917 CE1 TYR D 25 -9.309 -2.998 -3.545 1.00 0.00 C ATOM 918 CE2 TYR D 25 -7.543 -2.875 -1.854 1.00 0.00 C ATOM 919 CZ TYR D 25 -8.662 -3.534 -2.410 1.00 0.00 C ATOM 920 OH TYR D 25 -9.116 -4.694 -1.879 1.00 0.00 O ATOM 0 H TYR D 25 -6.732 2.524 -4.699 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.150 1.046 -4.679 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -7.051 0.029 -5.189 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.380 0.490 -3.637 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -9.352 -1.392 -4.984 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -6.231 -1.174 -2.021 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -10.155 -3.514 -3.976 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -7.039 -3.288 -0.993 1.00 0.00 H new ATOM 0 HH TYR D 25 -8.568 -4.935 -1.103 1.00 0.00 H new ATOM 930 N LEU D 26 -8.009 2.090 -1.730 1.00 0.00 N ATOM 931 CA LEU D 26 -8.432 2.337 -0.354 1.00 0.00 C ATOM 932 C LEU D 26 -9.612 3.314 -0.358 1.00 0.00 C ATOM 933 O LEU D 26 -10.505 3.199 0.488 1.00 0.00 O ATOM 934 CB LEU D 26 -7.281 2.887 0.500 1.00 0.00 C ATOM 935 CG LEU D 26 -6.218 1.874 0.970 1.00 0.00 C ATOM 936 CD1 LEU D 26 -6.820 0.666 1.704 1.00 0.00 C ATOM 937 CD2 LEU D 26 -5.305 1.403 -0.166 1.00 0.00 C ATOM 0 H LEU D 26 -7.056 2.387 -1.939 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.740 1.391 0.091 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.778 3.667 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.710 3.363 1.382 1.00 0.00 H new ATOM 0 HG LEU D 26 -5.607 2.424 1.686 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -6.021 -0.010 2.009 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -7.362 1.009 2.586 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -7.505 0.141 1.039 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -4.577 0.692 0.224 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -5.904 0.922 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -4.783 2.260 -0.592 1.00 0.00 H new ATOM 949 N ASN D 27 -9.647 4.261 -1.307 1.00 0.00 N ATOM 950 CA ASN D 27 -10.730 5.215 -1.422 1.00 0.00 C ATOM 951 C ASN D 27 -12.009 4.448 -1.748 1.00 0.00 C ATOM 952 O ASN D 27 -13.019 4.728 -1.122 1.00 0.00 O ATOM 953 CB ASN D 27 -10.427 6.301 -2.467 1.00 0.00 C ATOM 954 CG ASN D 27 -9.470 7.375 -1.963 1.00 0.00 C ATOM 955 OD1 ASN D 27 -9.321 7.562 -0.761 1.00 0.00 O ATOM 956 ND2 ASN D 27 -8.874 8.167 -2.837 1.00 0.00 N ATOM 0 H ASN D 27 -8.918 4.377 -2.011 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.855 5.743 -0.477 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -10.001 5.832 -3.354 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -11.361 6.772 -2.773 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -8.288 8.936 -2.512 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -9.000 8.009 -3.837 1.00 0.00 H new ATOM 963 N VAL D 28 -11.994 3.445 -2.631 1.00 0.00 N ATOM 964 CA VAL D 28 -13.193 2.668 -2.952 1.00 0.00 C ATOM 965 C VAL D 28 -13.582 1.819 -1.723 1.00 0.00 C ATOM 966 O VAL D 28 -14.743 1.871 -1.301 1.00 0.00 O ATOM 967 CB VAL D 28 -12.971 1.840 -4.239 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.172 0.949 -4.586 1.00 0.00 C ATOM 969 CG2 VAL D 28 -12.757 2.756 -5.455 1.00 0.00 C ATOM 0 H VAL D 28 -11.159 3.152 -3.138 1.00 0.00 H new ATOM 0 HA VAL D 28 -14.035 3.326 -3.169 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.094 1.226 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -13.960 0.391 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -14.356 0.252 -3.769 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.054 1.571 -4.738 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.603 2.148 -6.346 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -13.634 3.388 -5.594 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -11.881 3.383 -5.288 1.00 0.00 H new ATOM 979 N VAL D 29 -12.622 1.171 -1.048 1.00 0.00 N ATOM 980 CA VAL D 29 -12.856 0.336 0.140 1.00 0.00 C ATOM 981 C VAL D 29 -13.536 1.113 1.271 1.00 0.00 C ATOM 982 O VAL D 29 -14.449 0.601 1.922 1.00 0.00 O ATOM 983 CB VAL D 29 -11.524 -0.304 0.606 1.00 0.00 C ATOM 984 CG1 VAL D 29 -11.645 -1.046 1.943 1.00 0.00 C ATOM 985 CG2 VAL D 29 -10.990 -1.321 -0.414 1.00 0.00 C ATOM 0 H VAL D 29 -11.639 1.213 -1.318 1.00 0.00 H new ATOM 0 HA VAL D 29 -13.547 -0.460 -0.138 1.00 0.00 H new ATOM 0 HB VAL D 29 -10.843 0.540 0.713 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -10.678 -1.471 2.212 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -11.964 -0.349 2.718 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -12.379 -1.846 1.850 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -10.055 -1.746 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -11.722 -2.117 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -10.814 -0.822 -1.367 1.00 0.00 H new ATOM 995 N THR D 30 -13.259 2.404 1.391 1.00 0.00 N ATOM 996 CA THR D 30 -13.821 3.231 2.453 1.00 0.00 C ATOM 997 C THR D 30 -14.761 4.310 1.958 1.00 0.00 C ATOM 998 O THR D 30 -15.211 5.122 2.761 1.00 0.00 O ATOM 999 CB THR D 30 -12.642 3.894 3.178 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.905 4.677 2.252 1.00 0.00 O ATOM 1001 CG2 THR D 30 -11.719 2.864 3.829 1.00 0.00 C ATOM 0 H THR D 30 -12.639 2.908 0.757 1.00 0.00 H new ATOM 0 HA THR D 30 -14.415 2.587 3.102 1.00 0.00 H new ATOM 0 HB THR D 30 -13.045 4.523 3.972 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.309 4.097 1.735 1.00 0.00 H new ATOM 0 HG21 THR D 30 -10.898 3.377 4.331 1.00 0.00 H new ATOM 0 HG22 THR D 30 -12.282 2.280 4.557 1.00 0.00 H new ATOM 0 HG23 THR D 30 -11.318 2.200 3.064 1.00 0.00 H new ATOM 1009 N ARG D 31 -15.084 4.330 0.663 1.00 0.00 N ATOM 1010 CA ARG D 31 -15.902 5.375 0.049 1.00 0.00 C ATOM 1011 C ARG D 31 -15.264 6.738 0.426 1.00 0.00 C ATOM 1012 O ARG D 31 -15.948 7.741 0.632 1.00 0.00 O ATOM 1013 CB ARG D 31 -17.383 5.196 0.423 1.00 0.00 C ATOM 1014 CG ARG D 31 -18.299 5.909 -0.582 1.00 0.00 C ATOM 1015 CD ARG D 31 -18.913 4.997 -1.660 1.00 0.00 C ATOM 1016 NE ARG D 31 -17.938 4.311 -2.537 1.00 0.00 N ATOM 1017 CZ ARG D 31 -17.244 4.846 -3.551 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -17.235 6.157 -3.756 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -16.552 4.062 -4.367 1.00 0.00 N ATOM 0 H ARG D 31 -14.781 3.612 0.005 1.00 0.00 H new ATOM 0 HA ARG D 31 -15.911 5.318 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.628 4.134 0.452 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.559 5.591 1.423 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -19.107 6.394 -0.034 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -17.730 6.697 -1.075 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -19.528 4.243 -1.168 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -19.579 5.595 -2.282 1.00 0.00 H new ATOM 0 HE ARG D 31 -17.776 3.322 -2.349 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -17.761 6.774 -3.137 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -16.702 6.548 -4.532 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -16.548 3.052 -4.223 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -16.024 4.469 -5.139 1.00 0.00 H new ATOM 1033 N HIS D 32 -13.926 6.745 0.551 1.00 0.00 N ATOM 1034 CA HIS D 32 -13.025 7.828 0.920 1.00 0.00 C ATOM 1035 C HIS D 32 -13.439 8.459 2.269 1.00 0.00 C ATOM 1036 O HIS D 32 -13.131 9.615 2.562 1.00 0.00 O ATOM 1037 CB HIS D 32 -12.838 8.768 -0.288 1.00 0.00 C ATOM 1038 CG HIS D 32 -11.910 9.934 -0.060 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -10.617 9.872 0.408 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -12.235 11.254 -0.210 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -10.188 11.133 0.574 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -11.132 12.013 0.193 1.00 0.00 N ATOM 0 H HIS D 32 -13.399 5.890 0.374 1.00 0.00 H new ATOM 0 HA HIS D 32 -12.019 7.468 1.136 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -12.461 8.183 -1.127 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -13.814 9.154 -0.582 1.00 0.00 H new ATOM 0 HD1 HIS D 32 -10.083 9.023 0.594 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -13.175 11.641 -0.574 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -9.217 11.404 0.961 1.00 0.00 H new ATOM 1050 N ARG D 33 -14.099 7.702 3.152 1.00 0.00 N ATOM 1051 CA ARG D 33 -14.563 8.170 4.455 1.00 0.00 C ATOM 1052 C ARG D 33 -13.519 8.042 5.574 1.00 0.00 C ATOM 1053 O ARG D 33 -13.798 8.572 6.651 1.00 0.00 O ATOM 1054 CB ARG D 33 -15.885 7.436 4.792 1.00 0.00 C ATOM 1055 CG ARG D 33 -16.664 7.938 6.022 1.00 0.00 C ATOM 1056 CD ARG D 33 -16.963 9.444 5.981 1.00 0.00 C ATOM 1057 NE ARG D 33 -17.501 9.932 7.258 1.00 0.00 N ATOM 1058 CZ ARG D 33 -16.782 10.381 8.295 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -15.450 10.342 8.291 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -17.395 10.866 9.367 1.00 0.00 N ATOM 0 H ARG D 33 -14.329 6.725 2.973 1.00 0.00 H new ATOM 0 HA ARG D 33 -14.739 9.244 4.389 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -16.541 7.502 3.924 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -15.659 6.380 4.941 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -17.604 7.390 6.096 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -16.092 7.713 6.922 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -16.050 9.989 5.740 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -17.677 9.651 5.184 1.00 0.00 H new ATOM 0 HE ARG D 33 -18.515 9.929 7.365 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -14.953 9.963 7.485 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -14.927 10.691 9.094 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -18.414 10.897 9.402 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -16.847 11.208 10.157 1.00 0.00 H new ATOM 1074 N TYR D 34 -12.332 7.446 5.343 1.00 0.00 N ATOM 1075 CA TYR D 34 -11.319 7.301 6.398 1.00 0.00 C ATOM 1076 C TYR D 34 -10.890 8.647 6.990 1.00 0.00 C ATOM 1077 O TYR D 34 -10.495 8.716 8.147 1.00 0.00 O ATOM 1078 CB TYR D 34 -10.087 6.518 5.903 1.00 0.00 C ATOM 1079 CG TYR D 34 -9.413 7.052 4.645 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -8.684 8.254 4.652 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -9.488 6.318 3.453 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -8.112 8.747 3.466 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -8.935 6.804 2.258 1.00 0.00 C ATOM 1084 CZ TYR D 34 -8.250 8.039 2.257 1.00 0.00 C ATOM 1085 OH TYR D 34 -7.723 8.563 1.118 1.00 0.00 O ATOM 0 H TYR D 34 -12.056 7.061 4.440 1.00 0.00 H new ATOM 0 HA TYR D 34 -11.795 6.728 7.194 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -9.349 6.497 6.705 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -10.387 5.486 5.720 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -8.563 8.802 5.574 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -9.982 5.358 3.454 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -7.562 9.676 3.483 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -9.033 6.237 1.344 1.00 0.00 H new ATOM 0 HH TYR D 34 -8.132 8.131 0.339 1.00 0.00 H new