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 23 GLN :FLIP amide:sc= -0.239 F(o=-1.5!,f=2) USER MOD Set 1.2: D 27 ASN : amide:sc= 0.992 K(o=2,f=-2.9) USER MOD Set 1.3: D 34 TYR OH : rot 168:sc= 1.28 USER MOD Set 2.1: C 27 ASN : amide:sc= 1 K(o=2.2,f=-0.54) USER MOD Set 2.2: C 34 TYR OH : rot 174:sc= 1.21 USER MOD Single : C 19 TYR OH : rot 180:sc= 0 USER MOD Single : C 20 ASN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : C 23 GLN : amide:sc= -0.201 K(o=-0.2,f=-0.83) 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 -86:sc= 1.23 USER MOD Single : C 32 HIS : no HD1:sc= -0.376 X(o=-0.38,f=0.032) USER MOD Single : D 19 TYR OH : rot 157:sc= 0.0453 USER MOD Single : D 20 ASN : amide:sc= 0 X(o=0,f=0.0014) 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 -55:sc= 1.24 USER MOD Single : D 32 HIS : no HD1:sc=-0.00225 X(o=-0.0023,f=0) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO C 11 -7.126 -7.823 7.166 1.00 0.00 N ATOM 122 CA PRO C 11 -8.433 -7.202 7.030 1.00 0.00 C ATOM 123 C PRO C 11 -8.260 -5.773 6.504 1.00 0.00 C ATOM 124 O PRO C 11 -7.313 -5.078 6.880 1.00 0.00 O ATOM 125 CB PRO C 11 -9.054 -7.251 8.428 1.00 0.00 C ATOM 126 CG PRO C 11 -7.836 -7.169 9.347 1.00 0.00 C ATOM 127 CD PRO C 11 -6.721 -7.857 8.565 1.00 0.00 C ATOM 0 HA PRO C 11 -9.084 -7.710 6.318 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -9.741 -6.422 8.594 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -9.619 -8.170 8.587 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -7.580 -6.134 9.576 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -8.021 -7.669 10.297 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -5.771 -7.343 8.708 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -6.582 -8.883 8.905 1.00 0.00 H new ATOM 135 N VAL C 12 -9.229 -5.279 5.730 1.00 0.00 N ATOM 136 CA VAL C 12 -9.157 -3.935 5.161 1.00 0.00 C ATOM 137 C VAL C 12 -9.129 -2.830 6.232 1.00 0.00 C ATOM 138 O VAL C 12 -8.514 -1.791 6.003 1.00 0.00 O ATOM 139 CB VAL C 12 -10.227 -3.752 4.063 1.00 0.00 C ATOM 140 CG1 VAL C 12 -11.668 -3.699 4.589 1.00 0.00 C ATOM 141 CG2 VAL C 12 -9.943 -2.510 3.209 1.00 0.00 C ATOM 0 H VAL C 12 -10.075 -5.793 5.483 1.00 0.00 H new ATOM 0 HA VAL C 12 -8.194 -3.824 4.663 1.00 0.00 H new ATOM 0 HB VAL C 12 -10.152 -4.649 3.449 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -12.356 -3.569 3.753 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -11.900 -4.629 5.109 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -11.773 -2.862 5.279 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -10.714 -2.409 2.445 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -9.943 -1.624 3.844 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -8.969 -2.613 2.730 1.00 0.00 H new ATOM 151 N GLU C 13 -9.687 -3.057 7.426 1.00 0.00 N ATOM 152 CA GLU C 13 -9.692 -2.078 8.502 1.00 0.00 C ATOM 153 C GLU C 13 -8.263 -1.776 8.937 1.00 0.00 C ATOM 154 O GLU C 13 -7.904 -0.615 9.148 1.00 0.00 O ATOM 155 CB GLU C 13 -10.511 -2.628 9.673 1.00 0.00 C ATOM 156 CG GLU C 13 -11.979 -2.221 9.557 1.00 0.00 C ATOM 157 CD GLU C 13 -12.694 -2.963 8.434 1.00 0.00 C ATOM 158 OE1 GLU C 13 -12.680 -4.216 8.455 1.00 0.00 O ATOM 159 OE2 GLU C 13 -13.453 -2.321 7.672 1.00 0.00 O ATOM 0 H GLU C 13 -10.149 -3.933 7.668 1.00 0.00 H new ATOM 0 HA GLU C 13 -10.145 -1.149 8.156 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -10.433 -3.715 9.697 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -10.101 -2.258 10.613 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -12.485 -2.420 10.502 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -12.044 -1.147 9.380 1.00 0.00 H new ATOM 166 N ASP C 14 -7.483 -2.829 9.167 1.00 0.00 N ATOM 167 CA ASP C 14 -6.091 -2.711 9.573 1.00 0.00 C ATOM 168 C ASP C 14 -5.292 -2.156 8.401 1.00 0.00 C ATOM 169 O ASP C 14 -4.526 -1.215 8.584 1.00 0.00 O ATOM 170 CB ASP C 14 -5.547 -4.081 9.987 1.00 0.00 C ATOM 171 CG ASP C 14 -4.034 -4.055 10.215 1.00 0.00 C ATOM 172 OD1 ASP C 14 -3.571 -3.426 11.195 1.00 0.00 O ATOM 173 OD2 ASP C 14 -3.373 -4.982 9.699 1.00 0.00 O ATOM 0 H ASP C 14 -7.804 -3.793 9.076 1.00 0.00 H new ATOM 0 HA ASP C 14 -6.006 -2.040 10.427 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -6.045 -4.408 10.900 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -5.784 -4.813 9.215 1.00 0.00 H new ATOM 178 N LEU C 15 -5.577 -2.643 7.186 1.00 0.00 N ATOM 179 CA LEU C 15 -4.929 -2.238 5.943 1.00 0.00 C ATOM 180 C LEU C 15 -4.957 -0.722 5.744 1.00 0.00 C ATOM 181 O LEU C 15 -3.967 -0.156 5.291 1.00 0.00 O ATOM 182 CB LEU C 15 -5.605 -2.927 4.751 1.00 0.00 C ATOM 183 CG LEU C 15 -4.778 -2.847 3.457 1.00 0.00 C ATOM 184 CD1 LEU C 15 -3.739 -3.970 3.412 1.00 0.00 C ATOM 185 CD2 LEU C 15 -5.717 -2.953 2.253 1.00 0.00 C ATOM 0 H LEU C 15 -6.292 -3.356 7.042 1.00 0.00 H new ATOM 0 HA LEU C 15 -3.885 -2.544 6.007 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -5.782 -3.974 4.997 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -6.580 -2.470 4.580 1.00 0.00 H new ATOM 0 HG LEU C 15 -4.251 -1.893 3.429 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -3.164 -3.897 2.489 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -3.068 -3.879 4.266 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -4.244 -4.935 3.449 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -5.136 -2.897 1.332 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -6.249 -3.904 2.289 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -6.436 -2.134 2.279 1.00 0.00 H new ATOM 197 N ILE C 16 -6.065 -0.056 6.070 1.00 0.00 N ATOM 198 CA ILE C 16 -6.198 1.393 5.925 1.00 0.00 C ATOM 199 C ILE C 16 -5.176 2.108 6.821 1.00 0.00 C ATOM 200 O ILE C 16 -4.628 3.136 6.411 1.00 0.00 O ATOM 201 CB ILE C 16 -7.659 1.805 6.225 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.602 1.305 5.108 1.00 0.00 C ATOM 203 CG2 ILE C 16 -7.845 3.328 6.358 1.00 0.00 C ATOM 204 CD1 ILE C 16 -10.028 1.087 5.618 1.00 0.00 C ATOM 0 H ILE C 16 -6.899 -0.509 6.444 1.00 0.00 H new ATOM 0 HA ILE C 16 -5.979 1.696 4.901 1.00 0.00 H new ATOM 0 HB ILE C 16 -7.905 1.345 7.182 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.615 2.029 4.293 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -8.216 0.371 4.699 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -8.891 3.550 6.568 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.224 3.701 7.173 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.551 3.813 5.427 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.657 0.736 4.800 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -10.020 0.343 6.415 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.424 2.027 6.003 1.00 0.00 H new ATOM 216 N ARG C 17 -5.041 1.691 8.085 1.00 0.00 N ATOM 217 CA ARG C 17 -4.099 2.290 9.036 1.00 0.00 C ATOM 218 C ARG C 17 -2.683 1.982 8.567 1.00 0.00 C ATOM 219 O ARG C 17 -1.922 2.898 8.258 1.00 0.00 O ATOM 220 CB ARG C 17 -4.379 1.747 10.460 1.00 0.00 C ATOM 221 CG ARG C 17 -4.169 2.815 11.544 1.00 0.00 C ATOM 222 CD ARG C 17 -5.404 3.713 11.645 1.00 0.00 C ATOM 223 NE ARG C 17 -5.135 4.933 12.431 1.00 0.00 N ATOM 224 CZ ARG C 17 -6.060 5.680 13.050 1.00 0.00 C ATOM 225 NH1 ARG C 17 -7.331 5.300 13.101 1.00 0.00 N ATOM 226 NH2 ARG C 17 -5.718 6.837 13.601 1.00 0.00 N ATOM 0 H ARG C 17 -5.586 0.924 8.479 1.00 0.00 H new ATOM 0 HA ARG C 17 -4.219 3.373 9.078 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -5.403 1.378 10.511 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -3.724 0.898 10.658 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -3.978 2.336 12.505 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -3.291 3.416 11.308 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.733 3.991 10.644 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -6.220 3.157 12.106 1.00 0.00 H new ATOM 0 HE ARG C 17 -4.163 5.233 12.510 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -7.620 4.425 12.664 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -8.019 5.883 13.577 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -4.751 7.158 13.554 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -6.422 7.405 14.072 1.00 0.00 H new ATOM 240 N PHE C 18 -2.427 0.695 8.355 1.00 0.00 N ATOM 241 CA PHE C 18 -1.190 0.101 7.898 1.00 0.00 C ATOM 242 C PHE C 18 -0.642 0.840 6.679 1.00 0.00 C ATOM 243 O PHE C 18 0.504 1.265 6.706 1.00 0.00 O ATOM 244 CB PHE C 18 -1.496 -1.372 7.605 1.00 0.00 C ATOM 245 CG PHE C 18 -0.540 -2.084 6.689 1.00 0.00 C ATOM 246 CD1 PHE C 18 0.694 -2.526 7.183 1.00 0.00 C ATOM 247 CD2 PHE C 18 -0.903 -2.329 5.352 1.00 0.00 C ATOM 248 CE1 PHE C 18 1.568 -3.216 6.336 1.00 0.00 C ATOM 249 CE2 PHE C 18 -0.033 -3.037 4.511 1.00 0.00 C ATOM 250 CZ PHE C 18 1.208 -3.472 5.002 1.00 0.00 C ATOM 0 H PHE C 18 -3.144 -0.013 8.514 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.408 0.176 8.654 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -1.526 -1.910 8.553 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -2.494 -1.434 7.172 1.00 0.00 H new ATOM 0 HD1 PHE C 18 0.969 -2.336 8.210 1.00 0.00 H new ATOM 0 HD2 PHE C 18 -1.850 -1.972 4.974 1.00 0.00 H new ATOM 0 HE1 PHE C 18 2.524 -3.553 6.709 1.00 0.00 H new ATOM 0 HE2 PHE C 18 -0.316 -3.247 3.490 1.00 0.00 H new ATOM 0 HZ PHE C 18 1.888 -4.005 4.353 1.00 0.00 H new ATOM 260 N TYR C 19 -1.451 1.058 5.639 1.00 0.00 N ATOM 261 CA TYR C 19 -1.058 1.743 4.409 1.00 0.00 C ATOM 262 C TYR C 19 -0.518 3.155 4.665 1.00 0.00 C ATOM 263 O TYR C 19 0.386 3.609 3.960 1.00 0.00 O ATOM 264 CB TYR C 19 -2.269 1.781 3.471 1.00 0.00 C ATOM 265 CG TYR C 19 -2.066 2.561 2.188 1.00 0.00 C ATOM 266 CD1 TYR C 19 -2.350 3.939 2.165 1.00 0.00 C ATOM 267 CD2 TYR C 19 -1.702 1.899 0.999 1.00 0.00 C ATOM 268 CE1 TYR C 19 -2.264 4.661 0.964 1.00 0.00 C ATOM 269 CE2 TYR C 19 -1.611 2.623 -0.204 1.00 0.00 C ATOM 270 CZ TYR C 19 -1.873 4.010 -0.227 1.00 0.00 C ATOM 271 OH TYR C 19 -1.780 4.681 -1.407 1.00 0.00 O ATOM 0 H TYR C 19 -2.424 0.754 5.631 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.239 1.190 3.950 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.543 0.757 3.216 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.113 2.212 4.010 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -2.636 4.444 3.076 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -1.494 0.839 1.011 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -2.497 5.715 0.951 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -1.339 2.114 -1.117 1.00 0.00 H new ATOM 0 HH TYR C 19 -1.495 4.064 -2.113 1.00 0.00 H new ATOM 281 N ASN C 20 -1.097 3.894 5.617 1.00 0.00 N ATOM 282 CA ASN C 20 -0.629 5.245 5.923 1.00 0.00 C ATOM 283 C ASN C 20 0.775 5.178 6.510 1.00 0.00 C ATOM 284 O ASN C 20 1.590 6.053 6.232 1.00 0.00 O ATOM 285 CB ASN C 20 -1.605 5.972 6.862 1.00 0.00 C ATOM 286 CG ASN C 20 -1.724 7.450 6.507 1.00 0.00 C ATOM 287 OD1 ASN C 20 -0.756 8.205 6.534 1.00 0.00 O ATOM 288 ND2 ASN C 20 -2.927 7.926 6.222 1.00 0.00 N ATOM 0 H ASN C 20 -1.885 3.580 6.184 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.590 5.825 5.001 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.587 5.502 6.803 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.264 5.870 7.892 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -3.049 8.919 6.025 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.731 7.299 6.199 1.00 0.00 H new ATOM 295 N ASP C 21 1.080 4.140 7.292 1.00 0.00 N ATOM 296 CA ASP C 21 2.409 3.963 7.876 1.00 0.00 C ATOM 297 C ASP C 21 3.382 3.307 6.880 1.00 0.00 C ATOM 298 O ASP C 21 4.579 3.614 6.862 1.00 0.00 O ATOM 299 CB ASP C 21 2.339 3.121 9.153 1.00 0.00 C ATOM 300 CG ASP C 21 3.748 2.898 9.703 1.00 0.00 C ATOM 301 OD1 ASP C 21 4.495 3.892 9.856 1.00 0.00 O ATOM 302 OD2 ASP C 21 4.219 1.735 9.719 1.00 0.00 O ATOM 0 H ASP C 21 0.417 3.404 7.536 1.00 0.00 H new ATOM 0 HA ASP C 21 2.784 4.956 8.123 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.723 3.624 9.898 1.00 0.00 H new ATOM 0 HB3 ASP C 21 1.865 2.162 8.942 1.00 0.00 H new ATOM 307 N LEU C 22 2.867 2.498 5.948 1.00 0.00 N ATOM 308 CA LEU C 22 3.605 1.775 4.917 1.00 0.00 C ATOM 309 C LEU C 22 4.391 2.726 4.010 1.00 0.00 C ATOM 310 O LEU C 22 5.397 2.331 3.420 1.00 0.00 O ATOM 311 CB LEU C 22 2.606 0.916 4.123 1.00 0.00 C ATOM 312 CG LEU C 22 3.261 -0.092 3.171 1.00 0.00 C ATOM 313 CD1 LEU C 22 4.085 -1.143 3.924 1.00 0.00 C ATOM 314 CD2 LEU C 22 2.191 -0.848 2.378 1.00 0.00 C ATOM 0 H LEU C 22 1.864 2.323 5.894 1.00 0.00 H new ATOM 0 HA LEU C 22 4.349 1.128 5.383 1.00 0.00 H new ATOM 0 HB2 LEU C 22 1.971 0.376 4.825 1.00 0.00 H new ATOM 0 HB3 LEU C 22 1.956 1.574 3.546 1.00 0.00 H new ATOM 0 HG LEU C 22 3.912 0.485 2.514 1.00 0.00 H new ATOM 0 HD11 LEU C 22 4.530 -1.836 3.210 1.00 0.00 H new ATOM 0 HD12 LEU C 22 4.874 -0.649 4.491 1.00 0.00 H new ATOM 0 HD13 LEU C 22 3.437 -1.692 4.607 1.00 0.00 H new ATOM 0 HD21 LEU C 22 2.671 -1.560 1.706 1.00 0.00 H new ATOM 0 HD22 LEU C 22 1.538 -1.383 3.067 1.00 0.00 H new ATOM 0 HD23 LEU C 22 1.602 -0.140 1.795 1.00 0.00 H new ATOM 326 N GLN C 23 4.002 4.002 3.981 1.00 0.00 N ATOM 327 CA GLN C 23 4.658 5.040 3.203 1.00 0.00 C ATOM 328 C GLN C 23 6.139 5.147 3.616 1.00 0.00 C ATOM 329 O GLN C 23 7.016 5.346 2.772 1.00 0.00 O ATOM 330 CB GLN C 23 3.864 6.351 3.382 1.00 0.00 C ATOM 331 CG GLN C 23 3.999 7.082 4.733 1.00 0.00 C ATOM 332 CD GLN C 23 5.200 8.016 4.842 1.00 0.00 C ATOM 333 OE1 GLN C 23 6.026 7.875 5.739 1.00 0.00 O ATOM 334 NE2 GLN C 23 5.254 9.062 4.034 1.00 0.00 N ATOM 0 H GLN C 23 3.202 4.345 4.513 1.00 0.00 H new ATOM 0 HA GLN C 23 4.664 4.803 2.139 1.00 0.00 H new ATOM 0 HB2 GLN C 23 4.169 7.040 2.594 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.809 6.130 3.222 1.00 0.00 H new ATOM 0 HG2 GLN C 23 3.091 7.659 4.909 1.00 0.00 H new ATOM 0 HG3 GLN C 23 4.063 6.338 5.527 1.00 0.00 H new ATOM 0 HE21 GLN C 23 4.563 9.169 3.292 1.00 0.00 H new ATOM 0 HE22 GLN C 23 5.987 9.761 4.153 1.00 0.00 H new ATOM 343 N GLN C 24 6.430 4.913 4.904 1.00 0.00 N ATOM 344 CA GLN C 24 7.783 4.971 5.433 1.00 0.00 C ATOM 345 C GLN C 24 8.610 3.788 4.918 1.00 0.00 C ATOM 346 O GLN C 24 9.810 3.948 4.720 1.00 0.00 O ATOM 347 CB GLN C 24 7.760 5.066 6.970 1.00 0.00 C ATOM 348 CG GLN C 24 9.173 5.226 7.556 1.00 0.00 C ATOM 349 CD GLN C 24 9.208 5.940 8.908 1.00 0.00 C ATOM 350 OE1 GLN C 24 9.847 6.983 9.045 1.00 0.00 O ATOM 351 NE2 GLN C 24 8.576 5.396 9.933 1.00 0.00 N ATOM 0 H GLN C 24 5.725 4.678 5.603 1.00 0.00 H new ATOM 0 HA GLN C 24 8.273 5.876 5.073 1.00 0.00 H new ATOM 0 HB2 GLN C 24 7.144 5.913 7.272 1.00 0.00 H new ATOM 0 HB3 GLN C 24 7.295 4.170 7.382 1.00 0.00 H new ATOM 0 HG2 GLN C 24 9.624 4.240 7.666 1.00 0.00 H new ATOM 0 HG3 GLN C 24 9.788 5.781 6.848 1.00 0.00 H new ATOM 0 HE21 GLN C 24 8.050 4.531 9.807 1.00 0.00 H new ATOM 0 HE22 GLN C 24 8.614 5.841 10.850 1.00 0.00 H new ATOM 360 N TYR C 25 8.022 2.600 4.725 1.00 0.00 N ATOM 361 CA TYR C 25 8.757 1.443 4.213 1.00 0.00 C ATOM 362 C TYR C 25 9.247 1.776 2.808 1.00 0.00 C ATOM 363 O TYR C 25 10.439 1.635 2.527 1.00 0.00 O ATOM 364 CB TYR C 25 7.888 0.178 4.199 1.00 0.00 C ATOM 365 CG TYR C 25 8.388 -0.955 3.308 1.00 0.00 C ATOM 366 CD1 TYR C 25 9.754 -1.317 3.247 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.469 -1.612 2.470 1.00 0.00 C ATOM 368 CE1 TYR C 25 10.186 -2.310 2.349 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.898 -2.600 1.572 1.00 0.00 C ATOM 370 CZ TYR C 25 9.265 -2.935 1.481 1.00 0.00 C ATOM 371 OH TYR C 25 9.700 -3.815 0.538 1.00 0.00 O ATOM 0 H TYR C 25 7.037 2.418 4.917 1.00 0.00 H new ATOM 0 HA TYR C 25 9.602 1.234 4.869 1.00 0.00 H new ATOM 0 HB2 TYR C 25 7.805 -0.196 5.220 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.883 0.453 3.878 1.00 0.00 H new ATOM 0 HD1 TYR C 25 10.469 -0.829 3.893 1.00 0.00 H new ATOM 0 HD2 TYR C 25 6.422 -1.353 2.519 1.00 0.00 H new ATOM 0 HE1 TYR C 25 11.227 -2.595 2.324 1.00 0.00 H new ATOM 0 HE2 TYR C 25 7.178 -3.107 0.947 1.00 0.00 H new ATOM 0 HH TYR C 25 8.934 -4.153 0.028 1.00 0.00 H new ATOM 381 N LEU C 26 8.351 2.267 1.942 1.00 0.00 N ATOM 382 CA LEU C 26 8.732 2.627 0.582 1.00 0.00 C ATOM 383 C LEU C 26 9.820 3.698 0.609 1.00 0.00 C ATOM 384 O LEU C 26 10.725 3.657 -0.230 1.00 0.00 O ATOM 385 CB LEU C 26 7.527 3.106 -0.235 1.00 0.00 C ATOM 386 CG LEU C 26 6.521 2.012 -0.626 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.487 2.631 -1.566 1.00 0.00 C ATOM 388 CD2 LEU C 26 7.190 0.826 -1.335 1.00 0.00 C ATOM 0 H LEU C 26 7.367 2.421 2.162 1.00 0.00 H new ATOM 0 HA LEU C 26 9.122 1.733 0.095 1.00 0.00 H new ATOM 0 HB2 LEU C 26 7.002 3.871 0.337 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.892 3.583 -1.145 1.00 0.00 H new ATOM 0 HG LEU C 26 6.062 1.630 0.286 1.00 0.00 H new ATOM 0 HD11 LEU C 26 4.761 1.873 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU C 26 4.975 3.447 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU C 26 5.987 3.015 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU C 26 6.436 0.082 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU C 26 7.678 1.174 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU C 26 7.932 0.379 -0.674 1.00 0.00 H new ATOM 400 N ASN C 27 9.795 4.602 1.598 1.00 0.00 N ATOM 401 CA ASN C 27 10.793 5.647 1.746 1.00 0.00 C ATOM 402 C ASN C 27 12.162 5.037 2.027 1.00 0.00 C ATOM 403 O ASN C 27 13.147 5.635 1.613 1.00 0.00 O ATOM 404 CB ASN C 27 10.414 6.644 2.855 1.00 0.00 C ATOM 405 CG ASN C 27 9.528 7.781 2.375 1.00 0.00 C ATOM 406 OD1 ASN C 27 8.984 7.749 1.276 1.00 0.00 O ATOM 407 ND2 ASN C 27 9.354 8.807 3.178 1.00 0.00 N ATOM 0 H ASN C 27 9.073 4.621 2.318 1.00 0.00 H new ATOM 0 HA ASN C 27 10.835 6.198 0.807 1.00 0.00 H new ATOM 0 HB2 ASN C 27 9.902 6.108 3.654 1.00 0.00 H new ATOM 0 HB3 ASN C 27 11.325 7.061 3.284 1.00 0.00 H new ATOM 0 HD21 ASN C 27 8.762 9.586 2.889 1.00 0.00 H new ATOM 0 HD22 ASN C 27 9.811 8.824 4.090 1.00 0.00 H new ATOM 414 N VAL C 28 12.270 3.882 2.693 1.00 0.00 N ATOM 415 CA VAL C 28 13.561 3.252 2.962 1.00 0.00 C ATOM 416 C VAL C 28 14.135 2.743 1.641 1.00 0.00 C ATOM 417 O VAL C 28 15.254 3.103 1.269 1.00 0.00 O ATOM 418 CB VAL C 28 13.433 2.076 3.968 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.812 1.504 4.329 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.696 2.455 5.257 1.00 0.00 C ATOM 0 H VAL C 28 11.470 3.364 3.057 1.00 0.00 H new ATOM 0 HA VAL C 28 14.223 3.992 3.412 1.00 0.00 H new ATOM 0 HB VAL C 28 12.837 1.321 3.456 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.692 0.682 5.035 1.00 0.00 H new ATOM 0 HG12 VAL C 28 15.302 1.138 3.427 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.423 2.285 4.782 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.643 1.587 5.914 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.233 3.259 5.760 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.687 2.789 5.015 1.00 0.00 H new ATOM 430 N VAL C 29 13.361 1.929 0.920 1.00 0.00 N ATOM 431 CA VAL C 29 13.748 1.316 -0.343 1.00 0.00 C ATOM 432 C VAL C 29 14.116 2.369 -1.392 1.00 0.00 C ATOM 433 O VAL C 29 15.241 2.370 -1.890 1.00 0.00 O ATOM 434 CB VAL C 29 12.644 0.343 -0.804 1.00 0.00 C ATOM 435 CG1 VAL C 29 13.124 -0.483 -2.002 1.00 0.00 C ATOM 436 CG2 VAL C 29 12.258 -0.638 0.314 1.00 0.00 C ATOM 0 H VAL C 29 12.418 1.673 1.213 1.00 0.00 H new ATOM 0 HA VAL C 29 14.656 0.731 -0.200 1.00 0.00 H new ATOM 0 HB VAL C 29 11.780 0.950 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL C 29 12.333 -1.164 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL C 29 13.375 0.184 -2.827 1.00 0.00 H new ATOM 0 HG13 VAL C 29 14.006 -1.057 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL C 29 11.478 -1.309 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL C 29 13.132 -1.220 0.605 1.00 0.00 H new ATOM 0 HG23 VAL C 29 11.890 -0.081 1.176 1.00 0.00 H new ATOM 446 N THR C 30 13.197 3.274 -1.722 1.00 0.00 N ATOM 447 CA THR C 30 13.425 4.336 -2.706 1.00 0.00 C ATOM 448 C THR C 30 14.301 5.456 -2.163 1.00 0.00 C ATOM 449 O THR C 30 14.667 6.380 -2.885 1.00 0.00 O ATOM 450 CB THR C 30 12.068 4.927 -3.129 1.00 0.00 C ATOM 451 OG1 THR C 30 11.415 5.514 -2.012 1.00 0.00 O ATOM 452 CG2 THR C 30 11.154 3.868 -3.756 1.00 0.00 C ATOM 0 H THR C 30 12.264 3.293 -1.311 1.00 0.00 H new ATOM 0 HA THR C 30 13.945 3.891 -3.554 1.00 0.00 H new ATOM 0 HB THR C 30 12.269 5.690 -3.881 1.00 0.00 H new ATOM 0 HG1 THR C 30 10.910 4.826 -1.530 1.00 0.00 H new ATOM 0 HG21 THR C 30 10.207 4.327 -4.040 1.00 0.00 H new ATOM 0 HG22 THR C 30 11.635 3.450 -4.641 1.00 0.00 H new ATOM 0 HG23 THR C 30 10.969 3.073 -3.034 1.00 0.00 H new ATOM 460 N ARG C 31 14.635 5.395 -0.875 1.00 0.00 N ATOM 461 CA ARG C 31 15.410 6.409 -0.169 1.00 0.00 C ATOM 462 C ARG C 31 14.691 7.765 -0.349 1.00 0.00 C ATOM 463 O ARG C 31 15.337 8.817 -0.342 1.00 0.00 O ATOM 464 CB ARG C 31 16.878 6.323 -0.606 1.00 0.00 C ATOM 465 CG ARG C 31 17.858 6.729 0.500 1.00 0.00 C ATOM 466 CD ARG C 31 19.301 6.446 0.072 1.00 0.00 C ATOM 467 NE ARG C 31 20.272 6.777 1.130 1.00 0.00 N ATOM 468 CZ ARG C 31 21.385 6.105 1.454 1.00 0.00 C ATOM 469 NH1 ARG C 31 21.617 4.867 1.015 1.00 0.00 N ATOM 470 NH2 ARG C 31 22.270 6.703 2.241 1.00 0.00 N ATOM 0 H ARG C 31 14.365 4.614 -0.277 1.00 0.00 H new ATOM 0 HA ARG C 31 15.458 6.255 0.909 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.098 5.303 -0.922 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.031 6.965 -1.473 1.00 0.00 H new ATOM 0 HG2 ARG C 31 17.741 7.789 0.726 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.630 6.181 1.414 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.400 5.393 -0.192 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.532 7.023 -0.824 1.00 0.00 H new ATOM 0 HE ARG C 31 20.074 7.614 1.679 1.00 0.00 H new ATOM 0 HH11 ARG C 31 20.936 4.403 0.413 1.00 0.00 H new ATOM 0 HH12 ARG C 31 22.475 4.384 1.281 1.00 0.00 H new ATOM 0 HH21 ARG C 31 22.093 7.648 2.581 1.00 0.00 H new ATOM 0 HH22 ARG C 31 23.127 6.218 2.506 1.00 0.00 H new ATOM 484 N HIS C 32 13.354 7.717 -0.503 1.00 0.00 N ATOM 485 CA HIS C 32 12.363 8.775 -0.704 1.00 0.00 C ATOM 486 C HIS C 32 12.416 9.399 -2.120 1.00 0.00 C ATOM 487 O HIS C 32 11.682 10.343 -2.417 1.00 0.00 O ATOM 488 CB HIS C 32 12.457 9.779 0.461 1.00 0.00 C ATOM 489 CG HIS C 32 11.244 10.632 0.754 1.00 0.00 C ATOM 490 ND1 HIS C 32 11.145 11.504 1.813 1.00 0.00 N ATOM 491 CD2 HIS C 32 10.070 10.708 0.056 1.00 0.00 C ATOM 492 CE1 HIS C 32 9.952 12.112 1.743 1.00 0.00 C ATOM 493 NE2 HIS C 32 9.265 11.667 0.676 1.00 0.00 N ATOM 0 H HIS C 32 12.889 6.809 -0.486 1.00 0.00 H new ATOM 0 HA HIS C 32 11.362 8.345 -0.677 1.00 0.00 H new ATOM 0 HB2 HIS C 32 12.701 9.221 1.365 1.00 0.00 H new ATOM 0 HB3 HIS C 32 13.296 10.446 0.262 1.00 0.00 H new ATOM 0 HD2 HIS C 32 9.811 10.130 -0.819 1.00 0.00 H new ATOM 0 HE1 HIS C 32 9.594 12.853 2.443 1.00 0.00 H new ATOM 0 HE2 HIS C 32 8.338 11.970 0.378 1.00 0.00 H new ATOM 501 N ARG C 33 13.230 8.869 -3.037 1.00 0.00 N ATOM 502 CA ARG C 33 13.373 9.373 -4.403 1.00 0.00 C ATOM 503 C ARG C 33 12.294 8.832 -5.342 1.00 0.00 C ATOM 504 O ARG C 33 12.562 7.903 -6.111 1.00 0.00 O ATOM 505 CB ARG C 33 14.787 9.041 -4.917 1.00 0.00 C ATOM 506 CG ARG C 33 15.841 9.947 -4.259 1.00 0.00 C ATOM 507 CD ARG C 33 17.264 9.708 -4.785 1.00 0.00 C ATOM 508 NE ARG C 33 17.979 8.679 -4.013 1.00 0.00 N ATOM 509 CZ ARG C 33 17.990 7.355 -4.203 1.00 0.00 C ATOM 510 NH1 ARG C 33 17.308 6.773 -5.182 1.00 0.00 N ATOM 511 NH2 ARG C 33 18.717 6.604 -3.395 1.00 0.00 N ATOM 0 H ARG C 33 13.820 8.060 -2.845 1.00 0.00 H new ATOM 0 HA ARG C 33 13.238 10.454 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG C 33 15.018 7.997 -4.707 1.00 0.00 H new ATOM 0 HB3 ARG C 33 14.822 9.164 -6.000 1.00 0.00 H new ATOM 0 HG2 ARG C 33 15.570 10.989 -4.427 1.00 0.00 H new ATOM 0 HG3 ARG C 33 15.828 9.784 -3.181 1.00 0.00 H new ATOM 0 HD2 ARG C 33 17.216 9.406 -5.831 1.00 0.00 H new ATOM 0 HD3 ARG C 33 17.825 10.642 -4.748 1.00 0.00 H new ATOM 0 HE ARG C 33 18.539 9.020 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG C 33 16.750 7.339 -5.822 1.00 0.00 H new ATOM 0 HH12 ARG C 33 17.342 5.760 -5.295 1.00 0.00 H new ATOM 0 HH21 ARG C 33 19.256 7.036 -2.644 1.00 0.00 H new ATOM 0 HH22 ARG C 33 18.740 5.592 -3.522 1.00 0.00 H new ATOM 525 N TYR C 34 11.060 9.334 -5.257 1.00 0.00 N ATOM 526 CA TYR C 34 9.982 8.904 -6.140 1.00 0.00 C ATOM 527 C TYR C 34 10.131 9.692 -7.446 1.00 0.00 C ATOM 528 O TYR C 34 9.491 10.720 -7.657 1.00 0.00 O ATOM 529 CB TYR C 34 8.623 9.125 -5.476 1.00 0.00 C ATOM 530 CG TYR C 34 8.451 8.342 -4.191 1.00 0.00 C ATOM 531 CD1 TYR C 34 8.366 6.935 -4.208 1.00 0.00 C ATOM 532 CD2 TYR C 34 8.383 9.033 -2.972 1.00 0.00 C ATOM 533 CE1 TYR C 34 8.187 6.220 -3.013 1.00 0.00 C ATOM 534 CE2 TYR C 34 8.187 8.325 -1.774 1.00 0.00 C ATOM 535 CZ TYR C 34 8.110 6.915 -1.790 1.00 0.00 C ATOM 536 OH TYR C 34 7.984 6.220 -0.630 1.00 0.00 O ATOM 0 H TYR C 34 10.785 10.044 -4.579 1.00 0.00 H new ATOM 0 HA TYR C 34 10.041 7.836 -6.350 1.00 0.00 H new ATOM 0 HB2 TYR C 34 8.497 10.187 -5.266 1.00 0.00 H new ATOM 0 HB3 TYR C 34 7.835 8.843 -6.174 1.00 0.00 H new ATOM 0 HD1 TYR C 34 8.439 6.404 -5.146 1.00 0.00 H new ATOM 0 HD2 TYR C 34 8.481 10.108 -2.954 1.00 0.00 H new ATOM 0 HE1 TYR C 34 8.109 5.143 -3.031 1.00 0.00 H new ATOM 0 HE2 TYR C 34 8.095 8.860 -0.840 1.00 0.00 H new ATOM 0 HH TYR C 34 8.037 6.838 0.129 1.00 0.00 H new ATOM 670 N PRO D 11 7.378 -7.891 -6.632 1.00 0.00 N ATOM 671 CA PRO D 11 8.543 -7.256 -6.034 1.00 0.00 C ATOM 672 C PRO D 11 8.251 -5.786 -5.738 1.00 0.00 C ATOM 673 O PRO D 11 7.464 -5.150 -6.444 1.00 0.00 O ATOM 674 CB PRO D 11 9.660 -7.409 -7.071 1.00 0.00 C ATOM 675 CG PRO D 11 8.896 -7.361 -8.391 1.00 0.00 C ATOM 676 CD PRO D 11 7.599 -8.098 -8.055 1.00 0.00 C ATOM 0 HA PRO D 11 8.822 -7.709 -5.083 1.00 0.00 H new ATOM 0 HB2 PRO D 11 10.394 -6.607 -6.998 1.00 0.00 H new ATOM 0 HB3 PRO D 11 10.201 -8.348 -6.949 1.00 0.00 H new ATOM 0 HG2 PRO D 11 8.708 -6.337 -8.713 1.00 0.00 H new ATOM 0 HG3 PRO D 11 9.445 -7.852 -9.195 1.00 0.00 H new ATOM 0 HD2 PRO D 11 6.766 -7.708 -8.640 1.00 0.00 H new ATOM 0 HD3 PRO D 11 7.682 -9.160 -8.287 1.00 0.00 H new ATOM 684 N VAL D 12 9.024 -5.209 -4.816 1.00 0.00 N ATOM 685 CA VAL D 12 8.891 -3.818 -4.400 1.00 0.00 C ATOM 686 C VAL D 12 8.977 -2.842 -5.580 1.00 0.00 C ATOM 687 O VAL D 12 8.277 -1.837 -5.589 1.00 0.00 O ATOM 688 CB VAL D 12 9.941 -3.524 -3.306 1.00 0.00 C ATOM 689 CG1 VAL D 12 11.395 -3.564 -3.810 1.00 0.00 C ATOM 690 CG2 VAL D 12 9.683 -2.173 -2.633 1.00 0.00 C ATOM 0 H VAL D 12 9.771 -5.706 -4.332 1.00 0.00 H new ATOM 0 HA VAL D 12 7.896 -3.665 -3.983 1.00 0.00 H new ATOM 0 HB VAL D 12 9.824 -4.331 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL D 12 12.072 -3.348 -2.984 1.00 0.00 H new ATOM 0 HG12 VAL D 12 11.614 -4.554 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL D 12 11.529 -2.819 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL D 12 10.440 -1.997 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL D 12 9.730 -1.380 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL D 12 8.695 -2.179 -2.172 1.00 0.00 H new ATOM 700 N GLU D 13 9.801 -3.148 -6.582 1.00 0.00 N ATOM 701 CA GLU D 13 10.021 -2.333 -7.766 1.00 0.00 C ATOM 702 C GLU D 13 8.721 -2.006 -8.512 1.00 0.00 C ATOM 703 O GLU D 13 8.511 -0.861 -8.924 1.00 0.00 O ATOM 704 CB GLU D 13 11.004 -3.103 -8.660 1.00 0.00 C ATOM 705 CG GLU D 13 11.764 -2.161 -9.587 1.00 0.00 C ATOM 706 CD GLU D 13 13.091 -1.731 -8.986 1.00 0.00 C ATOM 707 OE1 GLU D 13 13.133 -0.722 -8.243 1.00 0.00 O ATOM 708 OE2 GLU D 13 14.130 -2.318 -9.367 1.00 0.00 O ATOM 0 H GLU D 13 10.353 -4.006 -6.587 1.00 0.00 H new ATOM 0 HA GLU D 13 10.430 -1.365 -7.476 1.00 0.00 H new ATOM 0 HB2 GLU D 13 11.710 -3.653 -8.038 1.00 0.00 H new ATOM 0 HB3 GLU D 13 10.460 -3.839 -9.252 1.00 0.00 H new ATOM 0 HG2 GLU D 13 11.940 -2.655 -10.543 1.00 0.00 H new ATOM 0 HG3 GLU D 13 11.154 -1.281 -9.791 1.00 0.00 H new ATOM 715 N ASP D 14 7.878 -3.021 -8.712 1.00 0.00 N ATOM 716 CA ASP D 14 6.597 -2.887 -9.398 1.00 0.00 C ATOM 717 C ASP D 14 5.525 -2.480 -8.389 1.00 0.00 C ATOM 718 O ASP D 14 4.643 -1.683 -8.711 1.00 0.00 O ATOM 719 CB ASP D 14 6.251 -4.208 -10.090 1.00 0.00 C ATOM 720 CG ASP D 14 5.009 -4.101 -10.976 1.00 0.00 C ATOM 721 OD1 ASP D 14 5.057 -3.354 -11.979 1.00 0.00 O ATOM 722 OD2 ASP D 14 4.150 -5.009 -10.879 1.00 0.00 O ATOM 0 H ASP D 14 8.071 -3.972 -8.396 1.00 0.00 H new ATOM 0 HA ASP D 14 6.653 -2.112 -10.162 1.00 0.00 H new ATOM 0 HB2 ASP D 14 7.098 -4.529 -10.696 1.00 0.00 H new ATOM 0 HB3 ASP D 14 6.089 -4.978 -9.335 1.00 0.00 H new ATOM 727 N LEU D 15 5.648 -2.954 -7.137 1.00 0.00 N ATOM 728 CA LEU D 15 4.717 -2.638 -6.057 1.00 0.00 C ATOM 729 C LEU D 15 4.741 -1.134 -5.752 1.00 0.00 C ATOM 730 O LEU D 15 3.721 -0.615 -5.328 1.00 0.00 O ATOM 731 CB LEU D 15 4.957 -3.514 -4.809 1.00 0.00 C ATOM 732 CG LEU D 15 3.679 -3.710 -3.959 1.00 0.00 C ATOM 733 CD1 LEU D 15 2.621 -4.568 -4.660 1.00 0.00 C ATOM 734 CD2 LEU D 15 3.980 -4.442 -2.648 1.00 0.00 C ATOM 0 H LEU D 15 6.407 -3.573 -6.851 1.00 0.00 H new ATOM 0 HA LEU D 15 3.709 -2.882 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU D 15 5.333 -4.488 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU D 15 5.731 -3.056 -4.193 1.00 0.00 H new ATOM 0 HG LEU D 15 3.310 -2.698 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU D 15 1.749 -4.669 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU D 15 2.327 -4.091 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU D 15 3.034 -5.555 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU D 15 3.059 -4.561 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU D 15 4.400 -5.423 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU D 15 4.696 -3.863 -2.064 1.00 0.00 H new ATOM 746 N ILE D 16 5.830 -0.410 -6.041 1.00 0.00 N ATOM 747 CA ILE D 16 5.944 1.036 -5.826 1.00 0.00 C ATOM 748 C ILE D 16 4.936 1.739 -6.745 1.00 0.00 C ATOM 749 O ILE D 16 4.203 2.622 -6.298 1.00 0.00 O ATOM 750 CB ILE D 16 7.403 1.499 -6.102 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.293 1.234 -4.868 1.00 0.00 C ATOM 752 CG2 ILE D 16 7.528 2.992 -6.475 1.00 0.00 C ATOM 753 CD1 ILE D 16 9.774 1.054 -5.226 1.00 0.00 C ATOM 0 H ILE D 16 6.673 -0.823 -6.439 1.00 0.00 H new ATOM 0 HA ILE D 16 5.716 1.294 -4.792 1.00 0.00 H new ATOM 0 HB ILE D 16 7.732 0.916 -6.962 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.192 2.064 -4.169 1.00 0.00 H new ATOM 0 HG13 ILE D 16 7.937 0.340 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE D 16 8.575 3.236 -6.652 1.00 0.00 H new ATOM 0 HG22 ILE D 16 6.951 3.191 -7.378 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.146 3.604 -5.658 1.00 0.00 H new ATOM 0 HD11 ILE D 16 10.348 0.871 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE D 16 9.884 0.206 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE D 16 10.143 1.957 -5.713 1.00 0.00 H new ATOM 765 N ARG D 17 4.951 1.408 -8.043 1.00 0.00 N ATOM 766 CA ARG D 17 4.049 2.013 -9.021 1.00 0.00 C ATOM 767 C ARG D 17 2.617 1.662 -8.666 1.00 0.00 C ATOM 768 O ARG D 17 1.774 2.547 -8.553 1.00 0.00 O ATOM 769 CB ARG D 17 4.397 1.525 -10.439 1.00 0.00 C ATOM 770 CG ARG D 17 3.924 2.499 -11.526 1.00 0.00 C ATOM 771 CD ARG D 17 4.834 3.727 -11.545 1.00 0.00 C ATOM 772 NE ARG D 17 4.546 4.634 -12.661 1.00 0.00 N ATOM 773 CZ ARG D 17 5.447 5.416 -13.268 1.00 0.00 C ATOM 774 NH1 ARG D 17 6.711 5.485 -12.844 1.00 0.00 N ATOM 775 NH2 ARG D 17 5.066 6.123 -14.320 1.00 0.00 N ATOM 0 H ARG D 17 5.587 0.716 -8.439 1.00 0.00 H new ATOM 0 HA ARG D 17 4.163 3.097 -9.001 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.476 1.391 -10.520 1.00 0.00 H new ATOM 0 HB3 ARG D 17 3.941 0.549 -10.606 1.00 0.00 H new ATOM 0 HG2 ARG D 17 3.938 2.008 -12.499 1.00 0.00 H new ATOM 0 HG3 ARG D 17 2.894 2.800 -11.336 1.00 0.00 H new ATOM 0 HD2 ARG D 17 4.724 4.269 -10.606 1.00 0.00 H new ATOM 0 HD3 ARG D 17 5.873 3.402 -11.606 1.00 0.00 H new ATOM 0 HE ARG D 17 3.585 4.672 -13.001 1.00 0.00 H new ATOM 0 HH11 ARG D 17 7.010 4.934 -12.040 1.00 0.00 H new ATOM 0 HH12 ARG D 17 7.378 6.089 -13.325 1.00 0.00 H new ATOM 0 HH21 ARG D 17 4.103 6.065 -14.652 1.00 0.00 H new ATOM 0 HH22 ARG D 17 5.735 6.726 -14.799 1.00 0.00 H new ATOM 789 N PHE D 18 2.393 0.370 -8.444 1.00 0.00 N ATOM 790 CA PHE D 18 1.118 -0.203 -8.082 1.00 0.00 C ATOM 791 C PHE D 18 0.530 0.549 -6.898 1.00 0.00 C ATOM 792 O PHE D 18 -0.578 1.053 -7.008 1.00 0.00 O ATOM 793 CB PHE D 18 1.361 -1.672 -7.763 1.00 0.00 C ATOM 794 CG PHE D 18 0.195 -2.412 -7.164 1.00 0.00 C ATOM 795 CD1 PHE D 18 -0.794 -2.958 -8.000 1.00 0.00 C ATOM 796 CD2 PHE D 18 0.146 -2.614 -5.773 1.00 0.00 C ATOM 797 CE1 PHE D 18 -1.807 -3.758 -7.449 1.00 0.00 C ATOM 798 CE2 PHE D 18 -0.856 -3.424 -5.224 1.00 0.00 C ATOM 799 CZ PHE D 18 -1.822 -3.995 -6.064 1.00 0.00 C ATOM 0 H PHE D 18 3.132 -0.329 -8.517 1.00 0.00 H new ATOM 0 HA PHE D 18 0.395 -0.122 -8.894 1.00 0.00 H new ATOM 0 HB2 PHE D 18 1.657 -2.180 -8.681 1.00 0.00 H new ATOM 0 HB3 PHE D 18 2.203 -1.741 -7.075 1.00 0.00 H new ATOM 0 HD1 PHE D 18 -0.775 -2.763 -9.062 1.00 0.00 H new ATOM 0 HD2 PHE D 18 0.878 -2.147 -5.131 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -2.568 -4.188 -8.084 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -0.884 -3.608 -4.160 1.00 0.00 H new ATOM 0 HZ PHE D 18 -2.589 -4.626 -5.641 1.00 0.00 H new ATOM 809 N TYR D 19 1.292 0.682 -5.812 1.00 0.00 N ATOM 810 CA TYR D 19 0.927 1.353 -4.575 1.00 0.00 C ATOM 811 C TYR D 19 0.428 2.780 -4.810 1.00 0.00 C ATOM 812 O TYR D 19 -0.565 3.181 -4.205 1.00 0.00 O ATOM 813 CB TYR D 19 2.145 1.315 -3.646 1.00 0.00 C ATOM 814 CG TYR D 19 2.014 2.082 -2.354 1.00 0.00 C ATOM 815 CD1 TYR D 19 2.351 3.446 -2.322 1.00 0.00 C ATOM 816 CD2 TYR D 19 1.636 1.416 -1.176 1.00 0.00 C ATOM 817 CE1 TYR D 19 2.312 4.158 -1.113 1.00 0.00 C ATOM 818 CE2 TYR D 19 1.594 2.129 0.036 1.00 0.00 C ATOM 819 CZ TYR D 19 1.930 3.497 0.071 1.00 0.00 C ATOM 820 OH TYR D 19 1.901 4.165 1.252 1.00 0.00 O ATOM 0 H TYR D 19 2.237 0.299 -5.776 1.00 0.00 H new ATOM 0 HA TYR D 19 0.089 0.833 -4.111 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.363 0.274 -3.407 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.005 1.704 -4.191 1.00 0.00 H new ATOM 0 HD1 TYR D 19 2.642 3.949 -3.232 1.00 0.00 H new ATOM 0 HD2 TYR D 19 1.380 0.367 -1.201 1.00 0.00 H new ATOM 0 HE1 TYR D 19 2.573 5.206 -1.091 1.00 0.00 H new ATOM 0 HE2 TYR D 19 1.302 1.625 0.945 1.00 0.00 H new ATOM 0 HH TYR D 19 1.288 3.713 1.868 1.00 0.00 H new ATOM 830 N ASN D 20 1.076 3.538 -5.701 1.00 0.00 N ATOM 831 CA ASN D 20 0.661 4.913 -5.972 1.00 0.00 C ATOM 832 C ASN D 20 -0.725 4.967 -6.618 1.00 0.00 C ATOM 833 O ASN D 20 -1.461 5.927 -6.396 1.00 0.00 O ATOM 834 CB ASN D 20 1.703 5.619 -6.848 1.00 0.00 C ATOM 835 CG ASN D 20 1.639 7.124 -6.620 1.00 0.00 C ATOM 836 OD1 ASN D 20 0.779 7.827 -7.144 1.00 0.00 O ATOM 837 ND2 ASN D 20 2.668 7.700 -6.024 1.00 0.00 N ATOM 0 H ASN D 20 1.882 3.224 -6.241 1.00 0.00 H new ATOM 0 HA ASN D 20 0.593 5.438 -5.019 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.701 5.249 -6.611 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.520 5.394 -7.899 1.00 0.00 H new ATOM 0 HD21 ASN D 20 2.741 8.717 -6.003 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.389 7.128 -5.585 1.00 0.00 H new ATOM 844 N ASP D 21 -1.090 3.960 -7.418 1.00 0.00 N ATOM 845 CA ASP D 21 -2.403 3.894 -8.070 1.00 0.00 C ATOM 846 C ASP D 21 -3.427 3.186 -7.172 1.00 0.00 C ATOM 847 O ASP D 21 -4.611 3.529 -7.172 1.00 0.00 O ATOM 848 CB ASP D 21 -2.307 3.184 -9.422 1.00 0.00 C ATOM 849 CG ASP D 21 -3.460 3.630 -10.318 1.00 0.00 C ATOM 850 OD1 ASP D 21 -3.335 4.720 -10.929 1.00 0.00 O ATOM 851 OD2 ASP D 21 -4.455 2.889 -10.481 1.00 0.00 O ATOM 0 H ASP D 21 -0.484 3.168 -7.632 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.740 4.917 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.354 3.414 -9.898 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -2.340 2.104 -9.280 1.00 0.00 H new ATOM 856 N LEU D 22 -2.945 2.285 -6.304 1.00 0.00 N ATOM 857 CA LEU D 22 -3.675 1.484 -5.327 1.00 0.00 C ATOM 858 C LEU D 22 -4.389 2.390 -4.331 1.00 0.00 C ATOM 859 O LEU D 22 -5.317 1.945 -3.661 1.00 0.00 O ATOM 860 CB LEU D 22 -2.683 0.556 -4.610 1.00 0.00 C ATOM 861 CG LEU D 22 -3.270 -0.434 -3.597 1.00 0.00 C ATOM 862 CD1 LEU D 22 -4.117 -1.516 -4.275 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.110 -1.067 -2.821 1.00 0.00 C ATOM 0 H LEU D 22 -1.945 2.085 -6.270 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.432 0.882 -5.830 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -2.142 -0.013 -5.367 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -1.950 1.176 -4.093 1.00 0.00 H new ATOM 0 HG LEU D 22 -3.935 0.103 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -4.513 -2.195 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -4.943 -1.049 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -3.499 -2.075 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -2.503 -1.776 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -1.450 -1.588 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -1.551 -0.288 -2.303 1.00 0.00 H new ATOM 875 N GLN D 23 -4.011 3.668 -4.262 1.00 0.00 N ATOM 876 CA GLN D 23 -4.631 4.654 -3.401 1.00 0.00 C ATOM 877 C GLN D 23 -6.144 4.665 -3.692 1.00 0.00 C ATOM 878 O GLN D 23 -6.963 4.789 -2.780 1.00 0.00 O ATOM 879 CB GLN D 23 -3.925 6.004 -3.636 1.00 0.00 C ATOM 880 CG GLN D 23 -4.114 6.667 -5.016 1.00 0.00 C ATOM 881 CD GLN D 23 -5.375 7.512 -5.155 1.00 0.00 C ATOM 882 OE1 GLN D 23 -5.524 8.538 -4.334 1.00 0.00 O flip ATOM 883 NE2 GLN D 23 -6.220 7.279 -6.016 1.00 0.00 N flip ATOM 0 H GLN D 23 -3.246 4.046 -4.820 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.522 4.425 -2.341 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -4.271 6.703 -2.875 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.857 5.859 -3.474 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -3.248 7.296 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -4.131 5.888 -5.778 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -6.100 6.486 -6.647 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -7.041 7.878 -6.100 1.00 0.00 H new ATOM 892 N GLN D 24 -6.528 4.402 -4.950 1.00 0.00 N ATOM 893 CA GLN D 24 -7.914 4.357 -5.378 1.00 0.00 C ATOM 894 C GLN D 24 -8.660 3.178 -4.737 1.00 0.00 C ATOM 895 O GLN D 24 -9.851 3.312 -4.469 1.00 0.00 O ATOM 896 CB GLN D 24 -7.989 4.350 -6.909 1.00 0.00 C ATOM 897 CG GLN D 24 -9.438 4.504 -7.405 1.00 0.00 C ATOM 898 CD GLN D 24 -9.595 5.557 -8.498 1.00 0.00 C ATOM 899 OE1 GLN D 24 -10.374 6.496 -8.344 1.00 0.00 O ATOM 900 NE2 GLN D 24 -8.900 5.433 -9.614 1.00 0.00 N ATOM 0 H GLN D 24 -5.866 4.213 -5.702 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.423 5.256 -5.031 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -7.379 5.161 -7.308 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -7.570 3.419 -7.290 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -9.789 3.544 -7.783 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -10.077 4.768 -6.562 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -8.257 4.650 -9.730 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -9.006 6.120 -10.360 1.00 0.00 H new ATOM 909 N TYR D 25 -8.014 2.033 -4.481 1.00 0.00 N ATOM 910 CA TYR D 25 -8.671 0.889 -3.841 1.00 0.00 C ATOM 911 C TYR D 25 -9.168 1.344 -2.470 1.00 0.00 C ATOM 912 O TYR D 25 -10.291 1.020 -2.072 1.00 0.00 O ATOM 913 CB TYR D 25 -7.707 -0.304 -3.706 1.00 0.00 C ATOM 914 CG TYR D 25 -8.143 -1.427 -2.774 1.00 0.00 C ATOM 915 CD1 TYR D 25 -9.422 -2.006 -2.892 1.00 0.00 C ATOM 916 CD2 TYR D 25 -7.240 -1.934 -1.813 1.00 0.00 C ATOM 917 CE1 TYR D 25 -9.800 -3.070 -2.052 1.00 0.00 C ATOM 918 CE2 TYR D 25 -7.606 -3.015 -0.990 1.00 0.00 C ATOM 919 CZ TYR D 25 -8.895 -3.586 -1.097 1.00 0.00 C ATOM 920 OH TYR D 25 -9.291 -4.594 -0.274 1.00 0.00 O ATOM 0 H TYR D 25 -7.032 1.875 -4.709 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.507 0.551 -4.453 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -7.546 -0.727 -4.698 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.744 0.072 -3.360 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -10.115 -1.632 -3.630 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -6.262 -1.489 -1.709 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -10.789 -3.495 -2.138 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -6.900 -3.410 -0.274 1.00 0.00 H new ATOM 0 HH TYR D 25 -8.554 -4.837 0.324 1.00 0.00 H new ATOM 930 N LEU D 26 -8.323 2.071 -1.731 1.00 0.00 N ATOM 931 CA LEU D 26 -8.703 2.574 -0.421 1.00 0.00 C ATOM 932 C LEU D 26 -9.808 3.609 -0.590 1.00 0.00 C ATOM 933 O LEU D 26 -10.810 3.533 0.117 1.00 0.00 O ATOM 934 CB LEU D 26 -7.525 3.198 0.330 1.00 0.00 C ATOM 935 CG LEU D 26 -6.389 2.237 0.710 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.389 3.014 1.555 1.00 0.00 C ATOM 937 CD2 LEU D 26 -6.824 1.014 1.526 1.00 0.00 C ATOM 0 H LEU D 26 -7.378 2.319 -2.022 1.00 0.00 H new ATOM 0 HA LEU D 26 -9.052 1.729 0.173 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -7.109 3.997 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.904 3.661 1.241 1.00 0.00 H new ATOM 0 HG LEU D 26 -5.980 1.859 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -4.568 2.358 1.842 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.999 3.852 0.978 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.884 3.389 2.451 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -5.954 0.395 1.746 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -7.281 1.343 2.459 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -7.547 0.433 0.953 1.00 0.00 H new ATOM 949 N ASN D 27 -9.707 4.512 -1.571 1.00 0.00 N ATOM 950 CA ASN D 27 -10.705 5.537 -1.811 1.00 0.00 C ATOM 951 C ASN D 27 -12.077 4.944 -2.109 1.00 0.00 C ATOM 952 O ASN D 27 -13.052 5.429 -1.547 1.00 0.00 O ATOM 953 CB ASN D 27 -10.279 6.438 -2.967 1.00 0.00 C ATOM 954 CG ASN D 27 -9.072 7.301 -2.647 1.00 0.00 C ATOM 955 OD1 ASN D 27 -8.904 7.753 -1.522 1.00 0.00 O ATOM 956 ND2 ASN D 27 -8.201 7.542 -3.605 1.00 0.00 N ATOM 0 H ASN D 27 -8.921 4.545 -2.221 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.783 6.124 -0.896 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -10.054 5.819 -3.836 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -11.114 7.082 -3.242 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -7.376 8.110 -3.413 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -8.351 7.160 -4.539 1.00 0.00 H new ATOM 963 N VAL D 28 -12.165 3.873 -2.895 1.00 0.00 N ATOM 964 CA VAL D 28 -13.424 3.231 -3.251 1.00 0.00 C ATOM 965 C VAL D 28 -14.050 2.545 -2.030 1.00 0.00 C ATOM 966 O VAL D 28 -15.264 2.640 -1.823 1.00 0.00 O ATOM 967 CB VAL D 28 -13.169 2.281 -4.443 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.339 1.337 -4.736 1.00 0.00 C ATOM 969 CG2 VAL D 28 -12.898 3.084 -5.727 1.00 0.00 C ATOM 0 H VAL D 28 -11.349 3.421 -3.308 1.00 0.00 H new ATOM 0 HA VAL D 28 -14.161 3.968 -3.570 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.305 1.684 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.089 0.700 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -14.534 0.716 -3.861 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.228 1.922 -4.971 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.721 2.397 -6.555 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -13.761 3.710 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -12.020 3.714 -5.584 1.00 0.00 H new ATOM 979 N VAL D 29 -13.273 1.853 -1.193 1.00 0.00 N ATOM 980 CA VAL D 29 -13.815 1.171 -0.015 1.00 0.00 C ATOM 981 C VAL D 29 -14.169 2.199 1.058 1.00 0.00 C ATOM 982 O VAL D 29 -15.323 2.274 1.486 1.00 0.00 O ATOM 983 CB VAL D 29 -12.823 0.111 0.493 1.00 0.00 C ATOM 984 CG1 VAL D 29 -13.285 -0.542 1.806 1.00 0.00 C ATOM 985 CG2 VAL D 29 -12.654 -0.998 -0.551 1.00 0.00 C ATOM 0 H VAL D 29 -12.265 1.750 -1.310 1.00 0.00 H new ATOM 0 HA VAL D 29 -14.732 0.645 -0.283 1.00 0.00 H new ATOM 0 HB VAL D 29 -11.881 0.629 0.671 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -12.550 -1.283 2.122 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -13.385 0.222 2.577 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -14.248 -1.029 1.651 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -11.949 -1.742 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -13.618 -1.472 -0.738 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -12.274 -0.570 -1.479 1.00 0.00 H new ATOM 995 N THR D 30 -13.231 3.054 1.453 1.00 0.00 N ATOM 996 CA THR D 30 -13.453 4.076 2.475 1.00 0.00 C ATOM 997 C THR D 30 -14.334 5.216 1.990 1.00 0.00 C ATOM 998 O THR D 30 -14.809 6.039 2.770 1.00 0.00 O ATOM 999 CB THR D 30 -12.104 4.651 2.939 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.487 5.366 1.884 1.00 0.00 O ATOM 1001 CG2 THR D 30 -11.164 3.549 3.426 1.00 0.00 C ATOM 0 H THR D 30 -12.286 3.058 1.070 1.00 0.00 H new ATOM 0 HA THR D 30 -13.971 3.587 3.300 1.00 0.00 H new ATOM 0 HB THR D 30 -12.303 5.326 3.772 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.409 4.786 1.098 1.00 0.00 H new ATOM 0 HG21 THR D 30 -10.220 3.991 3.746 1.00 0.00 H new ATOM 0 HG22 THR D 30 -11.622 3.024 4.264 1.00 0.00 H new ATOM 0 HG23 THR D 30 -10.978 2.845 2.615 1.00 0.00 H new ATOM 1009 N ARG D 31 -14.654 5.233 0.703 1.00 0.00 N ATOM 1010 CA ARG D 31 -15.435 6.278 0.044 1.00 0.00 C ATOM 1011 C ARG D 31 -14.721 7.622 0.296 1.00 0.00 C ATOM 1012 O ARG D 31 -15.361 8.673 0.321 1.00 0.00 O ATOM 1013 CB ARG D 31 -16.906 6.171 0.488 1.00 0.00 C ATOM 1014 CG ARG D 31 -17.874 6.870 -0.468 1.00 0.00 C ATOM 1015 CD ARG D 31 -19.308 6.417 -0.192 1.00 0.00 C ATOM 1016 NE ARG D 31 -20.211 6.853 -1.266 1.00 0.00 N ATOM 1017 CZ ARG D 31 -21.256 6.162 -1.741 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -21.649 5.040 -1.147 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -21.900 6.584 -2.820 1.00 0.00 N ATOM 0 H ARG D 31 -14.367 4.492 0.063 1.00 0.00 H new ATOM 0 HA ARG D 31 -15.486 6.174 -1.040 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.180 5.119 0.567 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.011 6.604 1.483 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -17.797 7.951 -0.349 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -17.605 6.643 -1.500 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -19.340 5.331 -0.103 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -19.646 6.825 0.761 1.00 0.00 H new ATOM 0 HE ARG D 31 -20.026 7.763 -1.688 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -21.154 4.699 -0.323 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -22.446 4.520 -1.515 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -21.600 7.437 -3.292 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -22.695 6.055 -3.179 1.00 0.00 H new ATOM 1033 N HIS D 32 -13.392 7.590 0.484 1.00 0.00 N ATOM 1034 CA HIS D 32 -12.464 8.677 0.775 1.00 0.00 C ATOM 1035 C HIS D 32 -12.739 9.245 2.189 1.00 0.00 C ATOM 1036 O HIS D 32 -12.289 10.337 2.530 1.00 0.00 O ATOM 1037 CB HIS D 32 -12.484 9.699 -0.379 1.00 0.00 C ATOM 1038 CG HIS D 32 -11.189 10.439 -0.669 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -10.510 10.414 -1.870 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -10.501 11.298 0.152 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -9.436 11.208 -1.762 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -9.391 11.790 -0.551 1.00 0.00 N ATOM 0 H HIS D 32 -12.895 6.701 0.428 1.00 0.00 H new ATOM 0 HA HIS D 32 -11.434 8.323 0.818 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -12.787 9.178 -1.287 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -13.255 10.438 -0.163 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -10.769 11.552 1.167 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -8.705 11.360 -2.543 1.00 0.00 H new ATOM 0 HE2 HIS D 32 -8.693 12.453 -0.213 1.00 0.00 H new ATOM 1050 N ARG D 33 -13.558 8.581 3.018 1.00 0.00 N ATOM 1051 CA ARG D 33 -13.905 8.996 4.379 1.00 0.00 C ATOM 1052 C ARG D 33 -12.851 8.480 5.359 1.00 0.00 C ATOM 1053 O ARG D 33 -13.108 7.552 6.135 1.00 0.00 O ATOM 1054 CB ARG D 33 -15.299 8.482 4.777 1.00 0.00 C ATOM 1055 CG ARG D 33 -16.443 8.808 3.815 1.00 0.00 C ATOM 1056 CD ARG D 33 -17.761 8.502 4.532 1.00 0.00 C ATOM 1057 NE ARG D 33 -18.886 8.282 3.607 1.00 0.00 N ATOM 1058 CZ ARG D 33 -19.752 7.263 3.705 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -19.451 6.162 4.380 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -20.932 7.326 3.105 1.00 0.00 N ATOM 0 H ARG D 33 -14.012 7.709 2.746 1.00 0.00 H new ATOM 0 HA ARG D 33 -13.928 10.085 4.413 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -15.245 7.399 4.889 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -15.548 8.892 5.756 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -16.405 9.856 3.517 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -16.357 8.215 2.905 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -17.632 7.616 5.154 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -18.004 9.328 5.200 1.00 0.00 H new ATOM 0 HE ARG D 33 -19.014 8.947 2.844 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -18.544 6.077 4.839 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -20.126 5.400 4.440 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -21.186 8.153 2.565 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -21.586 6.547 3.183 1.00 0.00 H new ATOM 1074 N TYR D 34 -11.620 8.955 5.216 1.00 0.00 N ATOM 1075 CA TYR D 34 -10.526 8.562 6.083 1.00 0.00 C ATOM 1076 C TYR D 34 -10.744 9.292 7.406 1.00 0.00 C ATOM 1077 O TYR D 34 -10.470 10.483 7.528 1.00 0.00 O ATOM 1078 CB TYR D 34 -9.181 8.922 5.442 1.00 0.00 C ATOM 1079 CG TYR D 34 -8.907 8.236 4.117 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -8.475 6.896 4.086 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -9.036 8.951 2.911 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -8.150 6.286 2.865 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -8.708 8.348 1.686 1.00 0.00 C ATOM 1084 CZ TYR D 34 -8.250 7.012 1.660 1.00 0.00 C ATOM 1085 OH TYR D 34 -7.847 6.439 0.497 1.00 0.00 O ATOM 0 H TYR D 34 -11.356 9.624 4.493 1.00 0.00 H new ATOM 0 HA TYR D 34 -10.504 7.485 6.247 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -9.143 10.001 5.292 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -8.382 8.669 6.139 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -8.394 6.336 5.006 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -9.390 9.971 2.928 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -7.822 5.257 2.848 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -8.806 8.905 0.766 1.00 0.00 H new ATOM 0 HH TYR D 34 -8.153 6.983 -0.259 1.00 0.00 H new