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 :FLIP amide:sc= 0.701 F(o=-0.017,f=1.5) USER MOD Set 1.2: D 34 TYR OH : rot 156:sc= 0.793 USER MOD Set 2.1: C 27 ASN : amide:sc= -0.022 K(o=-0.064,f=-1.8) USER MOD Set 2.2: C 32 HIS : no HD1:sc= -0.0422 X(o=-0.064,f=-0.022) USER MOD Set 2.3: C 34 TYR OH : rot 180:sc= 0 USER MOD Single : C 19 TYR OH : rot -8:sc= 0.0244 USER MOD Single : C 20 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : C 23 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.61) 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 -79:sc= 1.21 USER MOD Single : D 19 TYR OH : rot -5:sc= 0.0267 USER MOD Single : D 20 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : D 23 GLN : amide:sc= -1.27 X(o=-1.3,f=-0.93) USER MOD Single : D 24 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : D 25 TYR OH : rot 180:sc= 0 USER MOD Single : D 30 THR OG1 : rot -80:sc= 1.19 USER MOD Single : D 32 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=0) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO C 11 -6.452 -7.561 7.693 1.00 0.00 N ATOM 122 CA PRO C 11 -7.756 -7.069 7.270 1.00 0.00 C ATOM 123 C PRO C 11 -7.648 -5.633 6.745 1.00 0.00 C ATOM 124 O PRO C 11 -6.727 -4.901 7.116 1.00 0.00 O ATOM 125 CB PRO C 11 -8.647 -7.181 8.508 1.00 0.00 C ATOM 126 CG PRO C 11 -7.663 -6.991 9.655 1.00 0.00 C ATOM 127 CD PRO C 11 -6.401 -7.678 9.141 1.00 0.00 C ATOM 0 HA PRO C 11 -8.174 -7.643 6.443 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -9.427 -6.419 8.515 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -9.146 -8.149 8.560 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -7.490 -5.936 9.868 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -8.024 -7.447 10.577 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -5.506 -7.202 9.541 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -6.371 -8.723 9.449 1.00 0.00 H new ATOM 135 N VAL C 12 -8.638 -5.206 5.957 1.00 0.00 N ATOM 136 CA VAL C 12 -8.694 -3.877 5.357 1.00 0.00 C ATOM 137 C VAL C 12 -8.535 -2.774 6.410 1.00 0.00 C ATOM 138 O VAL C 12 -7.878 -1.780 6.128 1.00 0.00 O ATOM 139 CB VAL C 12 -9.992 -3.727 4.531 1.00 0.00 C ATOM 140 CG1 VAL C 12 -10.143 -2.343 3.886 1.00 0.00 C ATOM 141 CG2 VAL C 12 -10.067 -4.760 3.397 1.00 0.00 C ATOM 0 H VAL C 12 -9.439 -5.790 5.715 1.00 0.00 H new ATOM 0 HA VAL C 12 -7.851 -3.763 4.676 1.00 0.00 H new ATOM 0 HB VAL C 12 -10.793 -3.880 5.254 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -11.074 -2.305 3.321 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -10.158 -1.579 4.663 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -9.304 -2.161 3.215 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -10.994 -4.622 2.840 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -9.217 -4.627 2.727 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -10.043 -5.765 3.818 1.00 0.00 H new ATOM 151 N GLU C 13 -9.100 -2.936 7.606 1.00 0.00 N ATOM 152 CA GLU C 13 -9.022 -1.950 8.677 1.00 0.00 C ATOM 153 C GLU C 13 -7.577 -1.597 9.030 1.00 0.00 C ATOM 154 O GLU C 13 -7.159 -0.450 8.877 1.00 0.00 O ATOM 155 CB GLU C 13 -9.807 -2.484 9.876 1.00 0.00 C ATOM 156 CG GLU C 13 -9.995 -1.422 10.957 1.00 0.00 C ATOM 157 CD GLU C 13 -10.883 -1.926 12.091 1.00 0.00 C ATOM 158 OE1 GLU C 13 -11.874 -2.660 11.831 1.00 0.00 O ATOM 159 OE2 GLU C 13 -10.819 -1.324 13.186 1.00 0.00 O ATOM 0 H GLU C 13 -9.632 -3.769 7.859 1.00 0.00 H new ATOM 0 HA GLU C 13 -9.469 -1.012 8.346 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -10.782 -2.838 9.542 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -9.284 -3.342 10.298 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -9.023 -1.132 11.356 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -10.438 -0.528 10.517 1.00 0.00 H new ATOM 166 N ASP C 14 -6.801 -2.587 9.467 1.00 0.00 N ATOM 167 CA ASP C 14 -5.404 -2.367 9.826 1.00 0.00 C ATOM 168 C ASP C 14 -4.582 -2.025 8.584 1.00 0.00 C ATOM 169 O ASP C 14 -3.585 -1.315 8.684 1.00 0.00 O ATOM 170 CB ASP C 14 -4.857 -3.608 10.532 1.00 0.00 C ATOM 171 CG ASP C 14 -3.496 -3.368 11.182 1.00 0.00 C ATOM 172 OD1 ASP C 14 -3.410 -2.395 11.959 1.00 0.00 O ATOM 173 OD2 ASP C 14 -2.794 -4.398 11.354 1.00 0.00 O ATOM 0 H ASP C 14 -7.118 -3.550 9.581 1.00 0.00 H new ATOM 0 HA ASP C 14 -5.333 -1.521 10.510 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -5.567 -3.929 11.294 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -4.772 -4.422 9.812 1.00 0.00 H new ATOM 178 N LEU C 15 -5.005 -2.505 7.406 1.00 0.00 N ATOM 179 CA LEU C 15 -4.329 -2.239 6.143 1.00 0.00 C ATOM 180 C LEU C 15 -4.447 -0.759 5.780 1.00 0.00 C ATOM 181 O LEU C 15 -3.483 -0.224 5.250 1.00 0.00 O ATOM 182 CB LEU C 15 -4.879 -3.148 5.034 1.00 0.00 C ATOM 183 CG LEU C 15 -4.041 -3.147 3.744 1.00 0.00 C ATOM 184 CD1 LEU C 15 -2.670 -3.791 3.931 1.00 0.00 C ATOM 185 CD2 LEU C 15 -4.765 -3.954 2.664 1.00 0.00 C ATOM 0 H LEU C 15 -5.833 -3.093 7.310 1.00 0.00 H new ATOM 0 HA LEU C 15 -3.269 -2.468 6.252 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -4.941 -4.168 5.413 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -5.895 -2.835 4.794 1.00 0.00 H new ATOM 0 HG LEU C 15 -3.909 -2.102 3.463 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -2.123 -3.762 2.989 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -2.112 -3.245 4.691 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -2.795 -4.827 4.247 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -4.171 -3.953 1.750 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -4.902 -4.980 3.007 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -5.738 -3.505 2.465 1.00 0.00 H new ATOM 197 N ILE C 16 -5.561 -0.078 6.080 1.00 0.00 N ATOM 198 CA ILE C 16 -5.749 1.352 5.795 1.00 0.00 C ATOM 199 C ILE C 16 -4.697 2.132 6.580 1.00 0.00 C ATOM 200 O ILE C 16 -4.121 3.099 6.069 1.00 0.00 O ATOM 201 CB ILE C 16 -7.165 1.808 6.232 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.253 1.271 5.286 1.00 0.00 C ATOM 203 CG2 ILE C 16 -7.303 3.338 6.347 1.00 0.00 C ATOM 204 CD1 ILE C 16 -9.600 1.123 6.008 1.00 0.00 C ATOM 0 H ILE C 16 -6.367 -0.509 6.533 1.00 0.00 H new ATOM 0 HA ILE C 16 -5.645 1.533 4.725 1.00 0.00 H new ATOM 0 HB ILE C 16 -7.306 1.385 7.226 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.365 1.946 4.438 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -7.945 0.305 4.886 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -8.317 3.590 6.656 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -6.595 3.713 7.086 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.095 3.796 5.380 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.346 0.742 5.311 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -9.492 0.428 6.841 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -9.919 2.094 6.386 1.00 0.00 H new ATOM 216 N ARG C 17 -4.554 1.761 7.855 1.00 0.00 N ATOM 217 CA ARG C 17 -3.625 2.365 8.787 1.00 0.00 C ATOM 218 C ARG C 17 -2.201 2.153 8.299 1.00 0.00 C ATOM 219 O ARG C 17 -1.530 3.134 7.962 1.00 0.00 O ATOM 220 CB ARG C 17 -3.874 1.791 10.188 1.00 0.00 C ATOM 221 CG ARG C 17 -4.640 2.817 11.025 1.00 0.00 C ATOM 222 CD ARG C 17 -4.837 2.264 12.429 1.00 0.00 C ATOM 223 NE ARG C 17 -5.353 3.276 13.357 1.00 0.00 N ATOM 224 CZ ARG C 17 -5.643 3.029 14.638 1.00 0.00 C ATOM 225 NH1 ARG C 17 -5.531 1.786 15.111 1.00 0.00 N ATOM 226 NH2 ARG C 17 -6.012 4.024 15.434 1.00 0.00 N ATOM 0 H ARG C 17 -5.103 1.008 8.270 1.00 0.00 H new ATOM 0 HA ARG C 17 -3.779 3.442 8.847 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -4.443 0.864 10.118 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -2.926 1.548 10.668 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -4.089 3.757 11.065 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -5.605 3.032 10.566 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.528 1.422 12.392 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -3.888 1.881 12.803 1.00 0.00 H new ATOM 0 HE ARG C 17 -5.499 4.222 13.005 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -5.226 1.032 14.496 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -5.751 1.590 16.088 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -6.074 4.974 15.068 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -6.234 3.839 16.412 1.00 0.00 H new ATOM 240 N PHE C 18 -1.807 0.887 8.144 1.00 0.00 N ATOM 241 CA PHE C 18 -0.493 0.475 7.674 1.00 0.00 C ATOM 242 C PHE C 18 -0.155 1.210 6.381 1.00 0.00 C ATOM 243 O PHE C 18 0.899 1.818 6.294 1.00 0.00 O ATOM 244 CB PHE C 18 -0.472 -1.056 7.478 1.00 0.00 C ATOM 245 CG PHE C 18 0.417 -1.572 6.357 1.00 0.00 C ATOM 246 CD1 PHE C 18 -0.087 -1.632 5.043 1.00 0.00 C ATOM 247 CD2 PHE C 18 1.734 -1.993 6.610 1.00 0.00 C ATOM 248 CE1 PHE C 18 0.710 -2.109 3.992 1.00 0.00 C ATOM 249 CE2 PHE C 18 2.535 -2.477 5.560 1.00 0.00 C ATOM 250 CZ PHE C 18 2.019 -2.538 4.254 1.00 0.00 C ATOM 0 H PHE C 18 -2.419 0.098 8.351 1.00 0.00 H new ATOM 0 HA PHE C 18 0.265 0.732 8.414 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -0.151 -1.518 8.412 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -1.492 -1.393 7.291 1.00 0.00 H new ATOM 0 HD1 PHE C 18 -1.097 -1.307 4.843 1.00 0.00 H new ATOM 0 HD2 PHE C 18 2.132 -1.945 7.613 1.00 0.00 H new ATOM 0 HE1 PHE C 18 0.318 -2.146 2.986 1.00 0.00 H new ATOM 0 HE2 PHE C 18 3.546 -2.802 5.757 1.00 0.00 H new ATOM 0 HZ PHE C 18 2.633 -2.916 3.450 1.00 0.00 H new ATOM 260 N TYR C 19 -1.087 1.260 5.428 1.00 0.00 N ATOM 261 CA TYR C 19 -0.935 1.891 4.126 1.00 0.00 C ATOM 262 C TYR C 19 -0.493 3.356 4.206 1.00 0.00 C ATOM 263 O TYR C 19 0.133 3.842 3.265 1.00 0.00 O ATOM 264 CB TYR C 19 -2.253 1.706 3.357 1.00 0.00 C ATOM 265 CG TYR C 19 -2.356 2.486 2.075 1.00 0.00 C ATOM 266 CD1 TYR C 19 -1.803 1.970 0.891 1.00 0.00 C ATOM 267 CD2 TYR C 19 -2.962 3.753 2.091 1.00 0.00 C ATOM 268 CE1 TYR C 19 -1.797 2.770 -0.269 1.00 0.00 C ATOM 269 CE2 TYR C 19 -2.997 4.526 0.922 1.00 0.00 C ATOM 270 CZ TYR C 19 -2.397 4.048 -0.255 1.00 0.00 C ATOM 271 OH TYR C 19 -2.375 4.843 -1.354 1.00 0.00 O ATOM 0 H TYR C 19 -2.009 0.841 5.553 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.122 1.406 3.586 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.379 0.647 3.132 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.079 1.994 4.007 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -1.388 0.973 0.870 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -3.400 4.131 3.003 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -1.332 2.404 -1.172 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -3.485 5.489 0.926 1.00 0.00 H new ATOM 0 HH TYR C 19 -1.797 4.442 -2.036 1.00 0.00 H new ATOM 281 N ASN C 20 -0.859 4.086 5.262 1.00 0.00 N ATOM 282 CA ASN C 20 -0.456 5.481 5.402 1.00 0.00 C ATOM 283 C ASN C 20 0.905 5.564 6.090 1.00 0.00 C ATOM 284 O ASN C 20 1.758 6.348 5.674 1.00 0.00 O ATOM 285 CB ASN C 20 -1.513 6.272 6.185 1.00 0.00 C ATOM 286 CG ASN C 20 -1.550 7.739 5.776 1.00 0.00 C ATOM 287 OD1 ASN C 20 -0.522 8.384 5.590 1.00 0.00 O ATOM 288 ND2 ASN C 20 -2.728 8.313 5.614 1.00 0.00 N ATOM 0 H ASN C 20 -1.432 3.733 6.029 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.371 5.925 4.410 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.494 5.826 6.022 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.303 6.199 7.252 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -2.784 9.292 5.334 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.582 7.777 5.769 1.00 0.00 H new ATOM 295 N ASP C 21 1.109 4.795 7.165 1.00 0.00 N ATOM 296 CA ASP C 21 2.371 4.783 7.920 1.00 0.00 C ATOM 297 C ASP C 21 3.540 4.309 7.042 1.00 0.00 C ATOM 298 O ASP C 21 4.618 4.913 7.042 1.00 0.00 O ATOM 299 CB ASP C 21 2.231 3.905 9.173 1.00 0.00 C ATOM 300 CG ASP C 21 3.424 4.098 10.113 1.00 0.00 C ATOM 301 OD1 ASP C 21 3.657 5.250 10.541 1.00 0.00 O ATOM 302 OD2 ASP C 21 4.110 3.107 10.459 1.00 0.00 O ATOM 0 H ASP C 21 0.403 4.161 7.539 1.00 0.00 H new ATOM 0 HA ASP C 21 2.592 5.803 8.235 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.308 4.155 9.695 1.00 0.00 H new ATOM 0 HB3 ASP C 21 2.159 2.857 8.881 1.00 0.00 H new ATOM 307 N LEU C 22 3.229 3.359 6.151 1.00 0.00 N ATOM 308 CA LEU C 22 4.071 2.696 5.162 1.00 0.00 C ATOM 309 C LEU C 22 4.766 3.687 4.244 1.00 0.00 C ATOM 310 O LEU C 22 5.827 3.355 3.720 1.00 0.00 O ATOM 311 CB LEU C 22 3.184 1.741 4.327 1.00 0.00 C ATOM 312 CG LEU C 22 3.763 1.212 2.996 1.00 0.00 C ATOM 313 CD1 LEU C 22 4.962 0.283 3.199 1.00 0.00 C ATOM 314 CD2 LEU C 22 2.698 0.430 2.222 1.00 0.00 C ATOM 0 H LEU C 22 2.275 3.001 6.106 1.00 0.00 H new ATOM 0 HA LEU C 22 4.851 2.144 5.686 1.00 0.00 H new ATOM 0 HB2 LEU C 22 2.935 0.882 4.950 1.00 0.00 H new ATOM 0 HB3 LEU C 22 2.249 2.257 4.106 1.00 0.00 H new ATOM 0 HG LEU C 22 4.089 2.092 2.441 1.00 0.00 H new ATOM 0 HD11 LEU C 22 5.327 -0.058 2.230 1.00 0.00 H new ATOM 0 HD12 LEU C 22 5.756 0.821 3.717 1.00 0.00 H new ATOM 0 HD13 LEU C 22 4.659 -0.578 3.795 1.00 0.00 H new ATOM 0 HD21 LEU C 22 3.123 0.065 1.287 1.00 0.00 H new ATOM 0 HD22 LEU C 22 2.360 -0.415 2.822 1.00 0.00 H new ATOM 0 HD23 LEU C 22 1.853 1.083 2.006 1.00 0.00 H new ATOM 326 N GLN C 23 4.239 4.900 4.067 1.00 0.00 N ATOM 327 CA GLN C 23 4.849 5.886 3.189 1.00 0.00 C ATOM 328 C GLN C 23 6.327 6.116 3.503 1.00 0.00 C ATOM 329 O GLN C 23 7.101 6.344 2.573 1.00 0.00 O ATOM 330 CB GLN C 23 4.009 7.164 3.174 1.00 0.00 C ATOM 331 CG GLN C 23 4.093 8.070 4.407 1.00 0.00 C ATOM 332 CD GLN C 23 5.188 9.131 4.280 1.00 0.00 C ATOM 333 OE1 GLN C 23 6.156 9.170 5.038 1.00 0.00 O ATOM 334 NE2 GLN C 23 5.100 9.995 3.286 1.00 0.00 N ATOM 0 H GLN C 23 3.386 5.219 4.526 1.00 0.00 H new ATOM 0 HA GLN C 23 4.851 5.494 2.172 1.00 0.00 H new ATOM 0 HB2 GLN C 23 4.301 7.750 2.303 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.966 6.881 3.033 1.00 0.00 H new ATOM 0 HG2 GLN C 23 3.132 8.561 4.560 1.00 0.00 H new ATOM 0 HG3 GLN C 23 4.283 7.460 5.290 1.00 0.00 H new ATOM 0 HE21 GLN C 23 4.299 9.966 2.655 1.00 0.00 H new ATOM 0 HE22 GLN C 23 5.833 10.691 3.149 1.00 0.00 H new ATOM 343 N GLN C 24 6.703 6.036 4.784 1.00 0.00 N ATOM 344 CA GLN C 24 8.084 6.204 5.215 1.00 0.00 C ATOM 345 C GLN C 24 8.851 4.889 5.021 1.00 0.00 C ATOM 346 O GLN C 24 9.964 4.908 4.504 1.00 0.00 O ATOM 347 CB GLN C 24 8.166 6.672 6.675 1.00 0.00 C ATOM 348 CG GLN C 24 9.598 7.138 6.986 1.00 0.00 C ATOM 349 CD GLN C 24 9.796 7.450 8.462 1.00 0.00 C ATOM 350 OE1 GLN C 24 10.202 6.577 9.229 1.00 0.00 O ATOM 351 NE2 GLN C 24 9.551 8.687 8.866 1.00 0.00 N ATOM 0 H GLN C 24 6.053 5.852 5.548 1.00 0.00 H new ATOM 0 HA GLN C 24 8.543 6.979 4.601 1.00 0.00 H new ATOM 0 HB2 GLN C 24 7.462 7.486 6.847 1.00 0.00 H new ATOM 0 HB3 GLN C 24 7.883 5.860 7.345 1.00 0.00 H new ATOM 0 HG2 GLN C 24 10.303 6.364 6.683 1.00 0.00 H new ATOM 0 HG3 GLN C 24 9.825 8.026 6.396 1.00 0.00 H new ATOM 0 HE21 GLN C 24 9.215 9.384 8.201 1.00 0.00 H new ATOM 0 HE22 GLN C 24 9.698 8.943 9.842 1.00 0.00 H new ATOM 360 N TYR C 25 8.282 3.744 5.414 1.00 0.00 N ATOM 361 CA TYR C 25 8.928 2.437 5.265 1.00 0.00 C ATOM 362 C TYR C 25 9.301 2.199 3.796 1.00 0.00 C ATOM 363 O TYR C 25 10.440 1.837 3.485 1.00 0.00 O ATOM 364 CB TYR C 25 8.004 1.349 5.845 1.00 0.00 C ATOM 365 CG TYR C 25 8.351 -0.111 5.570 1.00 0.00 C ATOM 366 CD1 TYR C 25 9.681 -0.547 5.384 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.308 -1.057 5.521 1.00 0.00 C ATOM 368 CE1 TYR C 25 9.956 -1.895 5.087 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.574 -2.407 5.234 1.00 0.00 C ATOM 370 CZ TYR C 25 8.900 -2.828 4.996 1.00 0.00 C ATOM 371 OH TYR C 25 9.151 -4.120 4.655 1.00 0.00 O ATOM 0 H TYR C 25 7.359 3.698 5.845 1.00 0.00 H new ATOM 0 HA TYR C 25 9.862 2.401 5.826 1.00 0.00 H new ATOM 0 HB2 TYR C 25 7.967 1.485 6.926 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.998 1.530 5.466 1.00 0.00 H new ATOM 0 HD1 TYR C 25 10.493 0.159 5.470 1.00 0.00 H new ATOM 0 HD2 TYR C 25 6.292 -0.741 5.706 1.00 0.00 H new ATOM 0 HE1 TYR C 25 10.975 -2.216 4.929 1.00 0.00 H new ATOM 0 HE2 TYR C 25 6.765 -3.121 5.196 1.00 0.00 H new ATOM 0 HH TYR C 25 8.311 -4.624 4.641 1.00 0.00 H new ATOM 381 N LEU C 26 8.383 2.499 2.875 1.00 0.00 N ATOM 382 CA LEU C 26 8.603 2.340 1.443 1.00 0.00 C ATOM 383 C LEU C 26 9.742 3.258 0.970 1.00 0.00 C ATOM 384 O LEU C 26 10.431 2.944 -0.005 1.00 0.00 O ATOM 385 CB LEU C 26 7.294 2.603 0.669 1.00 0.00 C ATOM 386 CG LEU C 26 6.924 1.445 -0.274 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.589 1.734 -0.962 1.00 0.00 C ATOM 388 CD2 LEU C 26 7.979 1.187 -1.349 1.00 0.00 C ATOM 0 H LEU C 26 7.459 2.862 3.108 1.00 0.00 H new ATOM 0 HA LEU C 26 8.906 1.313 1.240 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.482 2.763 1.378 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.396 3.521 0.090 1.00 0.00 H new ATOM 0 HG LEU C 26 6.857 0.553 0.349 1.00 0.00 H new ATOM 0 HD11 LEU C 26 5.336 0.908 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU C 26 4.808 1.846 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU C 26 5.670 2.654 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU C 26 7.659 0.359 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU C 26 8.104 2.082 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU C 26 8.928 0.936 -0.875 1.00 0.00 H new ATOM 400 N ASN C 27 9.958 4.390 1.648 1.00 0.00 N ATOM 401 CA ASN C 27 11.012 5.355 1.343 1.00 0.00 C ATOM 402 C ASN C 27 12.365 4.678 1.547 1.00 0.00 C ATOM 403 O ASN C 27 13.206 4.687 0.647 1.00 0.00 O ATOM 404 CB ASN C 27 10.881 6.609 2.229 1.00 0.00 C ATOM 405 CG ASN C 27 11.417 7.853 1.542 1.00 0.00 C ATOM 406 OD1 ASN C 27 12.412 7.817 0.832 1.00 0.00 O ATOM 407 ND2 ASN C 27 10.719 8.971 1.656 1.00 0.00 N ATOM 0 H ASN C 27 9.386 4.665 2.447 1.00 0.00 H new ATOM 0 HA ASN C 27 10.922 5.683 0.307 1.00 0.00 H new ATOM 0 HB2 ASN C 27 9.833 6.761 2.488 1.00 0.00 H new ATOM 0 HB3 ASN C 27 11.420 6.450 3.163 1.00 0.00 H new ATOM 0 HD21 ASN C 27 11.010 9.808 1.150 1.00 0.00 H new ATOM 0 HD22 ASN C 27 9.890 8.996 2.249 1.00 0.00 H new ATOM 414 N VAL C 28 12.531 3.985 2.680 1.00 0.00 N ATOM 415 CA VAL C 28 13.753 3.262 3.024 1.00 0.00 C ATOM 416 C VAL C 28 13.978 2.139 2.004 1.00 0.00 C ATOM 417 O VAL C 28 15.077 2.006 1.456 1.00 0.00 O ATOM 418 CB VAL C 28 13.665 2.687 4.458 1.00 0.00 C ATOM 419 CG1 VAL C 28 15.033 2.166 4.931 1.00 0.00 C ATOM 420 CG2 VAL C 28 13.148 3.684 5.500 1.00 0.00 C ATOM 0 H VAL C 28 11.805 3.912 3.393 1.00 0.00 H new ATOM 0 HA VAL C 28 14.597 3.951 2.994 1.00 0.00 H new ATOM 0 HB VAL C 28 12.942 1.875 4.386 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.941 1.768 5.942 1.00 0.00 H new ATOM 0 HG12 VAL C 28 15.374 1.378 4.260 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.755 2.983 4.927 1.00 0.00 H new ATOM 0 HG21 VAL C 28 13.116 3.204 6.478 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.814 4.546 5.540 1.00 0.00 H new ATOM 0 HG23 VAL C 28 12.146 4.012 5.224 1.00 0.00 H new ATOM 430 N VAL C 29 12.938 1.350 1.706 1.00 0.00 N ATOM 431 CA VAL C 29 13.014 0.243 0.757 1.00 0.00 C ATOM 432 C VAL C 29 13.493 0.744 -0.605 1.00 0.00 C ATOM 433 O VAL C 29 14.467 0.215 -1.140 1.00 0.00 O ATOM 434 CB VAL C 29 11.648 -0.472 0.657 1.00 0.00 C ATOM 435 CG1 VAL C 29 11.617 -1.527 -0.457 1.00 0.00 C ATOM 436 CG2 VAL C 29 11.312 -1.174 1.974 1.00 0.00 C ATOM 0 H VAL C 29 12.014 1.467 2.123 1.00 0.00 H new ATOM 0 HA VAL C 29 13.742 -0.485 1.115 1.00 0.00 H new ATOM 0 HB VAL C 29 10.917 0.304 0.430 1.00 0.00 H new ATOM 0 HG11 VAL C 29 10.635 -1.999 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL C 29 11.816 -1.049 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL C 29 12.378 -2.283 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL C 29 10.347 -1.672 1.885 1.00 0.00 H new ATOM 0 HG22 VAL C 29 12.082 -1.912 2.200 1.00 0.00 H new ATOM 0 HG23 VAL C 29 11.268 -0.439 2.777 1.00 0.00 H new ATOM 446 N THR C 30 12.906 1.819 -1.123 1.00 0.00 N ATOM 447 CA THR C 30 13.268 2.371 -2.425 1.00 0.00 C ATOM 448 C THR C 30 14.478 3.289 -2.407 1.00 0.00 C ATOM 449 O THR C 30 15.003 3.644 -3.463 1.00 0.00 O ATOM 450 CB THR C 30 12.064 3.127 -2.996 1.00 0.00 C ATOM 451 OG1 THR C 30 11.648 4.177 -2.143 1.00 0.00 O ATOM 452 CG2 THR C 30 10.909 2.161 -3.228 1.00 0.00 C ATOM 0 H THR C 30 12.163 2.334 -0.650 1.00 0.00 H new ATOM 0 HA THR C 30 13.547 1.523 -3.051 1.00 0.00 H new ATOM 0 HB THR C 30 12.370 3.571 -3.943 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.119 3.809 -1.405 1.00 0.00 H new ATOM 0 HG21 THR C 30 10.056 2.705 -3.634 1.00 0.00 H new ATOM 0 HG22 THR C 30 11.216 1.389 -3.933 1.00 0.00 H new ATOM 0 HG23 THR C 30 10.627 1.697 -2.283 1.00 0.00 H new ATOM 460 N ARG C 31 15.030 3.547 -1.227 1.00 0.00 N ATOM 461 CA ARG C 31 16.160 4.448 -1.034 1.00 0.00 C ATOM 462 C ARG C 31 15.796 5.790 -1.699 1.00 0.00 C ATOM 463 O ARG C 31 16.565 6.352 -2.483 1.00 0.00 O ATOM 464 CB ARG C 31 17.449 3.788 -1.548 1.00 0.00 C ATOM 465 CG ARG C 31 18.695 4.414 -0.917 1.00 0.00 C ATOM 466 CD ARG C 31 19.842 4.607 -1.923 1.00 0.00 C ATOM 467 NE ARG C 31 19.709 5.884 -2.640 1.00 0.00 N ATOM 468 CZ ARG C 31 19.838 7.094 -2.077 1.00 0.00 C ATOM 469 NH1 ARG C 31 20.329 7.227 -0.848 1.00 0.00 N ATOM 470 NH2 ARG C 31 19.474 8.187 -2.727 1.00 0.00 N ATOM 0 H ARG C 31 14.697 3.127 -0.359 1.00 0.00 H new ATOM 0 HA ARG C 31 16.362 4.655 0.017 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.425 2.721 -1.326 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.501 3.887 -2.632 1.00 0.00 H new ATOM 0 HG2 ARG C 31 18.431 5.379 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG C 31 19.039 3.781 -0.099 1.00 0.00 H new ATOM 0 HD2 ARG C 31 20.798 4.578 -1.399 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.845 3.784 -2.638 1.00 0.00 H new ATOM 0 HE ARG C 31 19.504 5.847 -3.638 1.00 0.00 H new ATOM 0 HH11 ARG C 31 20.613 6.402 -0.320 1.00 0.00 H new ATOM 0 HH12 ARG C 31 20.421 8.154 -0.433 1.00 0.00 H new ATOM 0 HH21 ARG C 31 19.089 8.116 -3.669 1.00 0.00 H new ATOM 0 HH22 ARG C 31 19.578 9.101 -2.286 1.00 0.00 H new ATOM 484 N HIS C 32 14.579 6.264 -1.406 1.00 0.00 N ATOM 485 CA HIS C 32 13.960 7.490 -1.899 1.00 0.00 C ATOM 486 C HIS C 32 13.965 7.530 -3.432 1.00 0.00 C ATOM 487 O HIS C 32 14.592 8.397 -4.046 1.00 0.00 O ATOM 488 CB HIS C 32 14.619 8.705 -1.225 1.00 0.00 C ATOM 489 CG HIS C 32 13.926 10.022 -1.469 1.00 0.00 C ATOM 490 ND1 HIS C 32 14.566 11.218 -1.680 1.00 0.00 N ATOM 491 CD2 HIS C 32 12.578 10.270 -1.438 1.00 0.00 C ATOM 492 CE1 HIS C 32 13.632 12.170 -1.774 1.00 0.00 C ATOM 493 NE2 HIS C 32 12.399 11.648 -1.630 1.00 0.00 N ATOM 0 H HIS C 32 13.960 5.760 -0.771 1.00 0.00 H new ATOM 0 HA HIS C 32 12.906 7.520 -1.624 1.00 0.00 H new ATOM 0 HB2 HIS C 32 14.661 8.527 -0.150 1.00 0.00 H new ATOM 0 HB3 HIS C 32 15.648 8.782 -1.576 1.00 0.00 H new ATOM 0 HD2 HIS C 32 11.797 9.538 -1.292 1.00 0.00 H new ATOM 0 HE1 HIS C 32 13.839 13.217 -1.943 1.00 0.00 H new ATOM 0 HE2 HIS C 32 11.513 12.153 -1.655 1.00 0.00 H new ATOM 501 N ARG C 33 13.344 6.533 -4.070 1.00 0.00 N ATOM 502 CA ARG C 33 13.287 6.438 -5.529 1.00 0.00 C ATOM 503 C ARG C 33 12.050 5.648 -5.948 1.00 0.00 C ATOM 504 O ARG C 33 12.159 4.470 -6.292 1.00 0.00 O ATOM 505 CB ARG C 33 14.583 5.767 -6.006 1.00 0.00 C ATOM 506 CG ARG C 33 14.800 5.724 -7.519 1.00 0.00 C ATOM 507 CD ARG C 33 15.116 7.101 -8.105 1.00 0.00 C ATOM 508 NE ARG C 33 15.619 6.944 -9.476 1.00 0.00 N ATOM 509 CZ ARG C 33 16.890 6.716 -9.824 1.00 0.00 C ATOM 510 NH1 ARG C 33 17.885 6.850 -8.946 1.00 0.00 N ATOM 511 NH2 ARG C 33 17.157 6.327 -11.058 1.00 0.00 N ATOM 0 H ARG C 33 12.868 5.770 -3.588 1.00 0.00 H new ATOM 0 HA ARG C 33 13.206 7.424 -5.986 1.00 0.00 H new ATOM 0 HB2 ARG C 33 15.426 6.288 -5.553 1.00 0.00 H new ATOM 0 HB3 ARG C 33 14.600 4.745 -5.628 1.00 0.00 H new ATOM 0 HG2 ARG C 33 15.618 5.040 -7.746 1.00 0.00 H new ATOM 0 HG3 ARG C 33 13.907 5.324 -8.000 1.00 0.00 H new ATOM 0 HD2 ARG C 33 14.221 7.723 -8.103 1.00 0.00 H new ATOM 0 HD3 ARG C 33 15.858 7.609 -7.489 1.00 0.00 H new ATOM 0 HE ARG C 33 14.937 7.015 -10.231 1.00 0.00 H new ATOM 0 HH11 ARG C 33 17.684 7.132 -7.987 1.00 0.00 H new ATOM 0 HH12 ARG C 33 18.847 6.671 -9.234 1.00 0.00 H new ATOM 0 HH21 ARG C 33 16.399 6.205 -11.729 1.00 0.00 H new ATOM 0 HH22 ARG C 33 18.121 6.149 -11.339 1.00 0.00 H new ATOM 525 N TYR C 34 10.873 6.259 -5.858 1.00 0.00 N ATOM 526 CA TYR C 34 9.637 5.588 -6.241 1.00 0.00 C ATOM 527 C TYR C 34 9.506 5.461 -7.761 1.00 0.00 C ATOM 528 O TYR C 34 8.771 4.625 -8.272 1.00 0.00 O ATOM 529 CB TYR C 34 8.449 6.355 -5.660 1.00 0.00 C ATOM 530 CG TYR C 34 8.555 6.569 -4.164 1.00 0.00 C ATOM 531 CD1 TYR C 34 8.583 5.461 -3.299 1.00 0.00 C ATOM 532 CD2 TYR C 34 8.668 7.871 -3.643 1.00 0.00 C ATOM 533 CE1 TYR C 34 8.677 5.657 -1.913 1.00 0.00 C ATOM 534 CE2 TYR C 34 8.752 8.075 -2.255 1.00 0.00 C ATOM 535 CZ TYR C 34 8.740 6.963 -1.385 1.00 0.00 C ATOM 536 OH TYR C 34 8.782 7.130 -0.040 1.00 0.00 O ATOM 0 H TYR C 34 10.750 7.215 -5.524 1.00 0.00 H new ATOM 0 HA TYR C 34 9.654 4.575 -5.838 1.00 0.00 H new ATOM 0 HB2 TYR C 34 8.372 7.323 -6.155 1.00 0.00 H new ATOM 0 HB3 TYR C 34 7.530 5.811 -5.879 1.00 0.00 H new ATOM 0 HD1 TYR C 34 8.532 4.460 -3.701 1.00 0.00 H new ATOM 0 HD2 TYR C 34 8.690 8.718 -4.313 1.00 0.00 H new ATOM 0 HE1 TYR C 34 8.701 4.806 -1.249 1.00 0.00 H new ATOM 0 HE2 TYR C 34 8.825 9.076 -1.856 1.00 0.00 H new ATOM 0 HH TYR C 34 8.824 8.086 0.170 1.00 0.00 H new ATOM 670 N PRO D 11 6.671 -8.057 -6.960 1.00 0.00 N ATOM 671 CA PRO D 11 7.909 -7.511 -6.428 1.00 0.00 C ATOM 672 C PRO D 11 7.714 -6.062 -5.973 1.00 0.00 C ATOM 673 O PRO D 11 6.736 -5.404 -6.337 1.00 0.00 O ATOM 674 CB PRO D 11 8.902 -7.596 -7.588 1.00 0.00 C ATOM 675 CG PRO D 11 8.010 -7.363 -8.806 1.00 0.00 C ATOM 676 CD PRO D 11 6.728 -8.101 -8.415 1.00 0.00 C ATOM 0 HA PRO D 11 8.258 -8.057 -5.552 1.00 0.00 H new ATOM 0 HB2 PRO D 11 9.685 -6.842 -7.508 1.00 0.00 H new ATOM 0 HB3 PRO D 11 9.397 -8.566 -7.628 1.00 0.00 H new ATOM 0 HG2 PRO D 11 7.831 -6.302 -8.983 1.00 0.00 H new ATOM 0 HG3 PRO D 11 8.451 -7.768 -9.717 1.00 0.00 H new ATOM 0 HD2 PRO D 11 5.853 -7.623 -8.855 1.00 0.00 H new ATOM 0 HD3 PRO D 11 6.744 -9.130 -8.775 1.00 0.00 H new ATOM 684 N VAL D 12 8.704 -5.546 -5.245 1.00 0.00 N ATOM 685 CA VAL D 12 8.739 -4.187 -4.715 1.00 0.00 C ATOM 686 C VAL D 12 8.515 -3.164 -5.839 1.00 0.00 C ATOM 687 O VAL D 12 7.705 -2.258 -5.685 1.00 0.00 O ATOM 688 CB VAL D 12 10.081 -4.023 -3.966 1.00 0.00 C ATOM 689 CG1 VAL D 12 10.502 -2.576 -3.700 1.00 0.00 C ATOM 690 CG2 VAL D 12 10.026 -4.769 -2.624 1.00 0.00 C ATOM 0 H VAL D 12 9.534 -6.085 -5.000 1.00 0.00 H new ATOM 0 HA VAL D 12 7.930 -4.002 -4.008 1.00 0.00 H new ATOM 0 HB VAL D 12 10.830 -4.445 -4.636 1.00 0.00 H new ATOM 0 HG11 VAL D 12 11.455 -2.566 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL D 12 10.608 -2.048 -4.648 1.00 0.00 H new ATOM 0 HG13 VAL D 12 9.744 -2.082 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL D 12 10.975 -4.649 -2.102 1.00 0.00 H new ATOM 0 HG22 VAL D 12 9.221 -4.360 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL D 12 9.842 -5.828 -2.804 1.00 0.00 H new ATOM 700 N GLU D 13 9.147 -3.356 -6.994 1.00 0.00 N ATOM 701 CA GLU D 13 9.058 -2.496 -8.169 1.00 0.00 C ATOM 702 C GLU D 13 7.617 -2.214 -8.591 1.00 0.00 C ATOM 703 O GLU D 13 7.199 -1.056 -8.655 1.00 0.00 O ATOM 704 CB GLU D 13 9.837 -3.207 -9.273 1.00 0.00 C ATOM 705 CG GLU D 13 9.789 -2.549 -10.652 1.00 0.00 C ATOM 706 CD GLU D 13 10.834 -3.194 -11.560 1.00 0.00 C ATOM 707 OE1 GLU D 13 10.890 -4.447 -11.564 1.00 0.00 O ATOM 708 OE2 GLU D 13 11.868 -2.524 -11.771 1.00 0.00 O ATOM 0 H GLU D 13 9.765 -4.154 -7.142 1.00 0.00 H new ATOM 0 HA GLU D 13 9.478 -1.514 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU D 13 10.880 -3.284 -8.964 1.00 0.00 H new ATOM 0 HB3 GLU D 13 9.456 -4.224 -9.363 1.00 0.00 H new ATOM 0 HG2 GLU D 13 8.795 -2.661 -11.086 1.00 0.00 H new ATOM 0 HG3 GLU D 13 9.979 -1.479 -10.563 1.00 0.00 H new ATOM 715 N ASP D 14 6.876 -3.272 -8.917 1.00 0.00 N ATOM 716 CA ASP D 14 5.491 -3.160 -9.353 1.00 0.00 C ATOM 717 C ASP D 14 4.583 -2.716 -8.207 1.00 0.00 C ATOM 718 O ASP D 14 3.601 -2.002 -8.434 1.00 0.00 O ATOM 719 CB ASP D 14 5.042 -4.487 -9.966 1.00 0.00 C ATOM 720 CG ASP D 14 3.692 -4.351 -10.663 1.00 0.00 C ATOM 721 OD1 ASP D 14 3.542 -3.442 -11.520 1.00 0.00 O ATOM 722 OD2 ASP D 14 2.807 -5.201 -10.431 1.00 0.00 O ATOM 0 H ASP D 14 7.222 -4.231 -8.885 1.00 0.00 H new ATOM 0 HA ASP D 14 5.416 -2.388 -10.119 1.00 0.00 H new ATOM 0 HB2 ASP D 14 5.789 -4.830 -10.681 1.00 0.00 H new ATOM 0 HB3 ASP D 14 4.975 -5.246 -9.186 1.00 0.00 H new ATOM 727 N LEU D 15 4.935 -3.096 -6.971 1.00 0.00 N ATOM 728 CA LEU D 15 4.202 -2.744 -5.761 1.00 0.00 C ATOM 729 C LEU D 15 4.229 -1.237 -5.570 1.00 0.00 C ATOM 730 O LEU D 15 3.183 -0.689 -5.267 1.00 0.00 O ATOM 731 CB LEU D 15 4.766 -3.501 -4.548 1.00 0.00 C ATOM 732 CG LEU D 15 4.007 -3.273 -3.227 1.00 0.00 C ATOM 733 CD1 LEU D 15 2.544 -3.710 -3.313 1.00 0.00 C ATOM 734 CD2 LEU D 15 4.707 -4.086 -2.133 1.00 0.00 C ATOM 0 H LEU D 15 5.758 -3.670 -6.787 1.00 0.00 H new ATOM 0 HA LEU D 15 3.160 -3.047 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU D 15 4.763 -4.568 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU D 15 5.806 -3.207 -4.407 1.00 0.00 H new ATOM 0 HG LEU D 15 4.015 -2.206 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU D 15 2.053 -3.529 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU D 15 2.039 -3.141 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU D 15 2.495 -4.773 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU D 15 4.189 -3.942 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU D 15 4.691 -5.143 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.740 -3.752 -2.036 1.00 0.00 H new ATOM 746 N ILE D 16 5.341 -0.552 -5.845 1.00 0.00 N ATOM 747 CA ILE D 16 5.461 0.901 -5.710 1.00 0.00 C ATOM 748 C ILE D 16 4.503 1.589 -6.687 1.00 0.00 C ATOM 749 O ILE D 16 3.775 2.514 -6.316 1.00 0.00 O ATOM 750 CB ILE D 16 6.914 1.324 -6.010 1.00 0.00 C ATOM 751 CG1 ILE D 16 7.909 0.805 -4.958 1.00 0.00 C ATOM 752 CG2 ILE D 16 7.096 2.844 -6.115 1.00 0.00 C ATOM 753 CD1 ILE D 16 9.275 0.529 -5.593 1.00 0.00 C ATOM 0 H ILE D 16 6.197 -0.999 -6.173 1.00 0.00 H new ATOM 0 HA ILE D 16 5.203 1.197 -4.693 1.00 0.00 H new ATOM 0 HB ILE D 16 7.125 0.871 -6.979 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.016 1.538 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE D 16 7.523 -0.108 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE D 16 8.141 3.072 -6.327 1.00 0.00 H new ATOM 0 HG22 ILE D 16 6.470 3.231 -6.919 1.00 0.00 H new ATOM 0 HG23 ILE D 16 6.807 3.311 -5.173 1.00 0.00 H new ATOM 0 HD11 ILE D 16 9.963 0.163 -4.831 1.00 0.00 H new ATOM 0 HD12 ILE D 16 9.167 -0.222 -6.376 1.00 0.00 H new ATOM 0 HD13 ILE D 16 9.668 1.449 -6.025 1.00 0.00 H new ATOM 765 N ARG D 17 4.542 1.182 -7.960 1.00 0.00 N ATOM 766 CA ARG D 17 3.699 1.772 -8.994 1.00 0.00 C ATOM 767 C ARG D 17 2.224 1.601 -8.655 1.00 0.00 C ATOM 768 O ARG D 17 1.474 2.576 -8.739 1.00 0.00 O ATOM 769 CB ARG D 17 4.087 1.196 -10.364 1.00 0.00 C ATOM 770 CG ARG D 17 3.725 2.158 -11.502 1.00 0.00 C ATOM 771 CD ARG D 17 4.122 1.569 -12.859 1.00 0.00 C ATOM 772 NE ARG D 17 4.217 2.613 -13.890 1.00 0.00 N ATOM 773 CZ ARG D 17 4.697 2.464 -15.128 1.00 0.00 C ATOM 774 NH1 ARG D 17 4.999 1.271 -15.621 1.00 0.00 N ATOM 775 NH2 ARG D 17 4.902 3.548 -15.857 1.00 0.00 N ATOM 0 H ARG D 17 5.155 0.440 -8.297 1.00 0.00 H new ATOM 0 HA ARG D 17 3.865 2.848 -9.042 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.158 0.993 -10.384 1.00 0.00 H new ATOM 0 HB3 ARG D 17 3.579 0.243 -10.516 1.00 0.00 H new ATOM 0 HG2 ARG D 17 2.654 2.359 -11.487 1.00 0.00 H new ATOM 0 HG3 ARG D 17 4.231 3.112 -11.353 1.00 0.00 H new ATOM 0 HD2 ARG D 17 5.080 1.057 -12.769 1.00 0.00 H new ATOM 0 HD3 ARG D 17 3.388 0.822 -13.162 1.00 0.00 H new ATOM 0 HE ARG D 17 3.884 3.543 -13.635 1.00 0.00 H new ATOM 0 HH11 ARG D 17 4.867 0.435 -15.051 1.00 0.00 H new ATOM 0 HH12 ARG D 17 5.364 1.189 -16.570 1.00 0.00 H new ATOM 0 HH21 ARG D 17 4.694 4.469 -15.471 1.00 0.00 H new ATOM 0 HH22 ARG D 17 5.268 3.463 -16.805 1.00 0.00 H new ATOM 789 N PHE D 18 1.819 0.402 -8.240 1.00 0.00 N ATOM 790 CA PHE D 18 0.437 0.119 -7.879 1.00 0.00 C ATOM 791 C PHE D 18 0.075 0.870 -6.593 1.00 0.00 C ATOM 792 O PHE D 18 -0.957 1.529 -6.564 1.00 0.00 O ATOM 793 CB PHE D 18 0.200 -1.407 -7.824 1.00 0.00 C ATOM 794 CG PHE D 18 -0.608 -1.919 -6.652 1.00 0.00 C ATOM 795 CD1 PHE D 18 -1.932 -1.489 -6.447 1.00 0.00 C ATOM 796 CD2 PHE D 18 -0.014 -2.807 -5.738 1.00 0.00 C ATOM 797 CE1 PHE D 18 -2.626 -1.891 -5.296 1.00 0.00 C ATOM 798 CE2 PHE D 18 -0.704 -3.202 -4.582 1.00 0.00 C ATOM 799 CZ PHE D 18 -1.991 -2.706 -4.344 1.00 0.00 C ATOM 0 H PHE D 18 2.443 -0.399 -8.146 1.00 0.00 H new ATOM 0 HA PHE D 18 -0.246 0.489 -8.644 1.00 0.00 H new ATOM 0 HB2 PHE D 18 -0.302 -1.708 -8.743 1.00 0.00 H new ATOM 0 HB3 PHE D 18 1.170 -1.904 -7.813 1.00 0.00 H new ATOM 0 HD1 PHE D 18 -2.413 -0.851 -7.174 1.00 0.00 H new ATOM 0 HD2 PHE D 18 0.979 -3.187 -5.927 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -3.647 -1.574 -5.142 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -0.245 -3.884 -3.881 1.00 0.00 H new ATOM 0 HZ PHE D 18 -2.499 -2.951 -3.423 1.00 0.00 H new ATOM 809 N TYR D 19 0.941 0.876 -5.577 1.00 0.00 N ATOM 810 CA TYR D 19 0.744 1.536 -4.286 1.00 0.00 C ATOM 811 C TYR D 19 0.402 3.023 -4.423 1.00 0.00 C ATOM 812 O TYR D 19 -0.350 3.548 -3.604 1.00 0.00 O ATOM 813 CB TYR D 19 2.001 1.335 -3.421 1.00 0.00 C ATOM 814 CG TYR D 19 2.133 2.219 -2.197 1.00 0.00 C ATOM 815 CD1 TYR D 19 1.410 1.933 -1.026 1.00 0.00 C ATOM 816 CD2 TYR D 19 3.007 3.322 -2.226 1.00 0.00 C ATOM 817 CE1 TYR D 19 1.517 2.784 0.094 1.00 0.00 C ATOM 818 CE2 TYR D 19 3.154 4.143 -1.095 1.00 0.00 C ATOM 819 CZ TYR D 19 2.402 3.880 0.066 1.00 0.00 C ATOM 820 OH TYR D 19 2.482 4.716 1.128 1.00 0.00 O ATOM 0 H TYR D 19 1.840 0.398 -5.636 1.00 0.00 H new ATOM 0 HA TYR D 19 -0.117 1.076 -3.801 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.027 0.295 -3.094 1.00 0.00 H new ATOM 0 HB3 TYR D 19 2.876 1.493 -4.051 1.00 0.00 H new ATOM 0 HD1 TYR D 19 0.773 1.062 -0.984 1.00 0.00 H new ATOM 0 HD2 TYR D 19 3.568 3.539 -3.123 1.00 0.00 H new ATOM 0 HE1 TYR D 19 0.920 2.595 0.974 1.00 0.00 H new ATOM 0 HE2 TYR D 19 3.843 4.975 -1.116 1.00 0.00 H new ATOM 0 HH TYR D 19 1.802 4.470 1.790 1.00 0.00 H new ATOM 830 N ASN D 20 0.938 3.718 -5.424 1.00 0.00 N ATOM 831 CA ASN D 20 0.670 5.139 -5.636 1.00 0.00 C ATOM 832 C ASN D 20 -0.685 5.347 -6.322 1.00 0.00 C ATOM 833 O ASN D 20 -1.350 6.350 -6.057 1.00 0.00 O ATOM 834 CB ASN D 20 1.840 5.732 -6.441 1.00 0.00 C ATOM 835 CG ASN D 20 2.061 7.223 -6.215 1.00 0.00 C ATOM 836 OD1 ASN D 20 1.152 7.977 -5.896 1.00 0.00 O ATOM 837 ND2 ASN D 20 3.301 7.683 -6.285 1.00 0.00 N ATOM 0 H ASN D 20 1.571 3.311 -6.112 1.00 0.00 H new ATOM 0 HA ASN D 20 0.601 5.661 -4.682 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.753 5.197 -6.181 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.661 5.559 -7.502 1.00 0.00 H new ATOM 0 HD21 ASN D 20 3.495 8.662 -6.073 1.00 0.00 H new ATOM 0 HD22 ASN D 20 4.062 7.058 -6.550 1.00 0.00 H new ATOM 844 N ASP D 21 -1.120 4.417 -7.177 1.00 0.00 N ATOM 845 CA ASP D 21 -2.416 4.509 -7.871 1.00 0.00 C ATOM 846 C ASP D 21 -3.552 4.059 -6.944 1.00 0.00 C ATOM 847 O ASP D 21 -4.595 4.706 -6.858 1.00 0.00 O ATOM 848 CB ASP D 21 -2.423 3.643 -9.137 1.00 0.00 C ATOM 849 CG ASP D 21 -3.328 4.239 -10.207 1.00 0.00 C ATOM 850 OD1 ASP D 21 -4.554 4.278 -10.012 1.00 0.00 O ATOM 851 OD2 ASP D 21 -2.779 4.912 -11.119 1.00 0.00 O ATOM 0 H ASP D 21 -0.588 3.579 -7.410 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.568 5.551 -8.154 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.408 3.552 -9.524 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -2.761 2.637 -8.890 1.00 0.00 H new ATOM 856 N LEU D 22 -3.231 3.096 -6.070 1.00 0.00 N ATOM 857 CA LEU D 22 -4.071 2.467 -5.056 1.00 0.00 C ATOM 858 C LEU D 22 -4.764 3.511 -4.194 1.00 0.00 C ATOM 859 O LEU D 22 -5.854 3.239 -3.708 1.00 0.00 O ATOM 860 CB LEU D 22 -3.195 1.522 -4.208 1.00 0.00 C ATOM 861 CG LEU D 22 -3.763 1.038 -2.854 1.00 0.00 C ATOM 862 CD1 LEU D 22 -5.054 0.214 -2.944 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.716 0.155 -2.165 1.00 0.00 C ATOM 0 H LEU D 22 -2.289 2.705 -6.058 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.859 1.889 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -2.970 0.642 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -2.248 2.026 -4.014 1.00 0.00 H new ATOM 0 HG LEU D 22 -4.000 1.948 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -5.370 -0.077 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -5.836 0.812 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -4.874 -0.680 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -3.106 -0.192 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -2.490 -0.703 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -1.806 0.732 -1.998 1.00 0.00 H new ATOM 875 N GLN D 23 -4.181 4.700 -4.032 1.00 0.00 N ATOM 876 CA GLN D 23 -4.748 5.789 -3.249 1.00 0.00 C ATOM 877 C GLN D 23 -6.216 6.043 -3.636 1.00 0.00 C ATOM 878 O GLN D 23 -7.049 6.354 -2.783 1.00 0.00 O ATOM 879 CB GLN D 23 -3.830 7.026 -3.404 1.00 0.00 C ATOM 880 CG GLN D 23 -3.964 7.851 -4.707 1.00 0.00 C ATOM 881 CD GLN D 23 -5.198 8.750 -4.831 1.00 0.00 C ATOM 882 OE1 GLN D 23 -5.637 9.048 -5.938 1.00 0.00 O ATOM 883 NE2 GLN D 23 -5.772 9.242 -3.749 1.00 0.00 N ATOM 0 H GLN D 23 -3.282 4.933 -4.453 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.782 5.532 -2.190 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -4.017 7.693 -2.562 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.796 6.691 -3.322 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -3.077 8.476 -4.806 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -3.962 7.159 -5.549 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -5.413 8.999 -2.826 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -6.575 9.865 -3.836 1.00 0.00 H new ATOM 892 N GLN D 24 -6.531 5.876 -4.924 1.00 0.00 N ATOM 893 CA GLN D 24 -7.854 6.070 -5.481 1.00 0.00 C ATOM 894 C GLN D 24 -8.738 4.832 -5.280 1.00 0.00 C ATOM 895 O GLN D 24 -9.919 4.971 -4.951 1.00 0.00 O ATOM 896 CB GLN D 24 -7.677 6.393 -6.972 1.00 0.00 C ATOM 897 CG GLN D 24 -8.870 7.168 -7.538 1.00 0.00 C ATOM 898 CD GLN D 24 -9.327 6.610 -8.875 1.00 0.00 C ATOM 899 OE1 GLN D 24 -9.659 5.430 -8.988 1.00 0.00 O ATOM 900 NE2 GLN D 24 -9.326 7.405 -9.923 1.00 0.00 N ATOM 0 H GLN D 24 -5.843 5.593 -5.622 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.361 6.889 -4.971 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -6.767 6.977 -7.111 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -7.549 5.466 -7.531 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -9.696 7.131 -6.828 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -8.598 8.217 -7.657 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -9.050 8.382 -9.822 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -9.602 7.045 -10.837 1.00 0.00 H new ATOM 909 N TYR D 25 -8.203 3.626 -5.495 1.00 0.00 N ATOM 910 CA TYR D 25 -8.932 2.367 -5.335 1.00 0.00 C ATOM 911 C TYR D 25 -9.331 2.171 -3.868 1.00 0.00 C ATOM 912 O TYR D 25 -10.488 1.855 -3.582 1.00 0.00 O ATOM 913 CB TYR D 25 -8.081 1.195 -5.863 1.00 0.00 C ATOM 914 CG TYR D 25 -8.540 -0.201 -5.457 1.00 0.00 C ATOM 915 CD1 TYR D 25 -9.902 -0.558 -5.485 1.00 0.00 C ATOM 916 CD2 TYR D 25 -7.590 -1.152 -5.036 1.00 0.00 C ATOM 917 CE1 TYR D 25 -10.317 -1.833 -5.065 1.00 0.00 C ATOM 918 CE2 TYR D 25 -7.995 -2.423 -4.596 1.00 0.00 C ATOM 919 CZ TYR D 25 -9.363 -2.764 -4.599 1.00 0.00 C ATOM 920 OH TYR D 25 -9.754 -3.963 -4.093 1.00 0.00 O ATOM 0 H TYR D 25 -7.235 3.497 -5.790 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.850 2.399 -5.922 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -8.062 1.247 -6.952 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -7.056 1.333 -5.520 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -10.635 0.155 -5.833 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -6.540 -0.901 -5.052 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -11.363 -2.100 -5.098 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -7.260 -3.138 -4.256 1.00 0.00 H new ATOM 0 HH TYR D 25 -8.965 -4.477 -3.822 1.00 0.00 H new ATOM 930 N LEU D 26 -8.418 2.444 -2.929 1.00 0.00 N ATOM 931 CA LEU D 26 -8.642 2.317 -1.488 1.00 0.00 C ATOM 932 C LEU D 26 -9.836 3.180 -1.070 1.00 0.00 C ATOM 933 O LEU D 26 -10.593 2.812 -0.166 1.00 0.00 O ATOM 934 CB LEU D 26 -7.376 2.724 -0.703 1.00 0.00 C ATOM 935 CG LEU D 26 -6.959 1.720 0.386 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.690 2.213 1.082 1.00 0.00 C ATOM 937 CD2 LEU D 26 -8.034 1.482 1.447 1.00 0.00 C ATOM 0 H LEU D 26 -7.478 2.768 -3.159 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.862 1.275 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.551 2.846 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.546 3.696 -0.240 1.00 0.00 H new ATOM 0 HG LEU D 26 -6.792 0.772 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.397 1.500 1.853 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.887 2.307 0.351 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.880 3.184 1.539 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -7.668 0.763 2.181 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -8.268 2.423 1.946 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -8.933 1.090 0.972 1.00 0.00 H new ATOM 949 N ASN D 27 -10.050 4.303 -1.763 1.00 0.00 N ATOM 950 CA ASN D 27 -11.155 5.215 -1.503 1.00 0.00 C ATOM 951 C ASN D 27 -12.488 4.483 -1.700 1.00 0.00 C ATOM 952 O ASN D 27 -13.396 4.626 -0.885 1.00 0.00 O ATOM 953 CB ASN D 27 -11.056 6.436 -2.428 1.00 0.00 C ATOM 954 CG ASN D 27 -11.467 7.707 -1.707 1.00 0.00 C ATOM 955 OD1 ASN D 27 -10.491 8.456 -1.230 1.00 0.00 O flip ATOM 956 ND2 ASN D 27 -12.642 8.035 -1.565 1.00 0.00 N flip ATOM 0 H ASN D 27 -9.449 4.603 -2.530 1.00 0.00 H new ATOM 0 HA ASN D 27 -11.103 5.564 -0.472 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -10.034 6.537 -2.793 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -11.693 6.287 -3.300 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -13.385 7.445 -1.940 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -12.875 8.897 -1.072 1.00 0.00 H new ATOM 963 N VAL D 28 -12.593 3.644 -2.736 1.00 0.00 N ATOM 964 CA VAL D 28 -13.792 2.869 -3.046 1.00 0.00 C ATOM 965 C VAL D 28 -13.964 1.745 -2.025 1.00 0.00 C ATOM 966 O VAL D 28 -15.065 1.567 -1.502 1.00 0.00 O ATOM 967 CB VAL D 28 -13.738 2.284 -4.476 1.00 0.00 C ATOM 968 CG1 VAL D 28 -15.117 1.747 -4.894 1.00 0.00 C ATOM 969 CG2 VAL D 28 -13.295 3.315 -5.516 1.00 0.00 C ATOM 0 H VAL D 28 -11.830 3.484 -3.394 1.00 0.00 H new ATOM 0 HA VAL D 28 -14.648 3.541 -2.995 1.00 0.00 H new ATOM 0 HB VAL D 28 -13.003 1.479 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -15.058 1.340 -5.903 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -15.427 0.962 -4.203 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.845 2.558 -4.872 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -13.274 2.851 -6.502 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -13.996 4.150 -5.522 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -12.299 3.679 -5.266 1.00 0.00 H new ATOM 979 N VAL D 29 -12.899 1.006 -1.702 1.00 0.00 N ATOM 980 CA VAL D 29 -12.955 -0.097 -0.739 1.00 0.00 C ATOM 981 C VAL D 29 -13.458 0.407 0.614 1.00 0.00 C ATOM 982 O VAL D 29 -14.317 -0.221 1.240 1.00 0.00 O ATOM 983 CB VAL D 29 -11.576 -0.777 -0.625 1.00 0.00 C ATOM 984 CG1 VAL D 29 -11.589 -1.967 0.341 1.00 0.00 C ATOM 985 CG2 VAL D 29 -11.117 -1.296 -1.988 1.00 0.00 C ATOM 0 H VAL D 29 -11.973 1.156 -2.101 1.00 0.00 H new ATOM 0 HA VAL D 29 -13.662 -0.848 -1.092 1.00 0.00 H new ATOM 0 HB VAL D 29 -10.895 -0.015 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -10.594 -2.411 0.385 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -11.879 -1.626 1.335 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -12.303 -2.712 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -10.142 -1.772 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -11.838 -2.022 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -11.043 -0.464 -2.688 1.00 0.00 H new ATOM 995 N THR D 30 -12.983 1.576 1.039 1.00 0.00 N ATOM 996 CA THR D 30 -13.383 2.166 2.310 1.00 0.00 C ATOM 997 C THR D 30 -14.665 2.970 2.225 1.00 0.00 C ATOM 998 O THR D 30 -15.281 3.278 3.247 1.00 0.00 O ATOM 999 CB THR D 30 -12.256 3.070 2.821 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.930 4.079 1.882 1.00 0.00 O ATOM 1001 CG2 THR D 30 -11.017 2.240 3.113 1.00 0.00 C ATOM 0 H THR D 30 -12.313 2.137 0.513 1.00 0.00 H new ATOM 0 HA THR D 30 -13.572 1.341 2.996 1.00 0.00 H new ATOM 0 HB THR D 30 -12.608 3.551 3.734 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.353 3.703 1.185 1.00 0.00 H new ATOM 0 HG21 THR D 30 -10.221 2.890 3.476 1.00 0.00 H new ATOM 0 HG22 THR D 30 -11.250 1.493 3.872 1.00 0.00 H new ATOM 0 HG23 THR D 30 -10.690 1.741 2.201 1.00 0.00 H new ATOM 1009 N ARG D 31 -15.131 3.210 1.006 1.00 0.00 N ATOM 1010 CA ARG D 31 -16.302 4.016 0.696 1.00 0.00 C ATOM 1011 C ARG D 31 -16.083 5.370 1.377 1.00 0.00 C ATOM 1012 O ARG D 31 -16.913 5.843 2.157 1.00 0.00 O ATOM 1013 CB ARG D 31 -17.587 3.284 1.087 1.00 0.00 C ATOM 1014 CG ARG D 31 -18.836 3.883 0.427 1.00 0.00 C ATOM 1015 CD ARG D 31 -19.928 4.222 1.452 1.00 0.00 C ATOM 1016 NE ARG D 31 -19.784 5.577 2.006 1.00 0.00 N ATOM 1017 CZ ARG D 31 -20.069 6.739 1.409 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -20.595 6.759 0.187 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -19.835 7.882 2.042 1.00 0.00 N ATOM 0 H ARG D 31 -14.683 2.831 0.172 1.00 0.00 H new ATOM 0 HA ARG D 31 -16.428 4.190 -0.373 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.501 2.234 0.807 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.703 3.316 2.170 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -18.559 4.785 -0.118 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -19.232 3.178 -0.304 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -20.906 4.129 0.980 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -19.896 3.496 2.265 1.00 0.00 H new ATOM 0 HE ARG D 31 -19.424 5.637 2.958 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -20.784 5.884 -0.301 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -20.810 7.650 -0.261 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -19.439 7.873 2.982 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -20.052 8.770 1.589 1.00 0.00 H new ATOM 1033 N HIS D 32 -14.878 5.914 1.187 1.00 0.00 N ATOM 1034 CA HIS D 32 -14.415 7.177 1.729 1.00 0.00 C ATOM 1035 C HIS D 32 -14.569 7.206 3.262 1.00 0.00 C ATOM 1036 O HIS D 32 -15.144 8.140 3.826 1.00 0.00 O ATOM 1037 CB HIS D 32 -15.133 8.302 0.959 1.00 0.00 C ATOM 1038 CG HIS D 32 -14.630 9.699 1.197 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -15.303 10.841 0.834 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -13.446 10.072 1.773 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -14.558 11.889 1.209 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -13.411 11.471 1.779 1.00 0.00 N ATOM 0 H HIS D 32 -14.167 5.453 0.619 1.00 0.00 H new ATOM 0 HA HIS D 32 -13.345 7.324 1.582 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -15.058 8.088 -0.107 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -16.192 8.271 1.217 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -12.681 9.410 2.152 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -14.837 12.923 1.074 1.00 0.00 H new ATOM 0 HE2 HIS D 32 -12.662 12.060 2.144 1.00 0.00 H new ATOM 1050 N ARG D 33 -14.131 6.144 3.951 1.00 0.00 N ATOM 1051 CA ARG D 33 -14.202 6.018 5.410 1.00 0.00 C ATOM 1052 C ARG D 33 -12.874 5.480 5.929 1.00 0.00 C ATOM 1053 O ARG D 33 -12.718 4.276 6.108 1.00 0.00 O ATOM 1054 CB ARG D 33 -15.380 5.117 5.831 1.00 0.00 C ATOM 1055 CG ARG D 33 -15.618 5.098 7.351 1.00 0.00 C ATOM 1056 CD ARG D 33 -16.819 5.958 7.741 1.00 0.00 C ATOM 1057 NE ARG D 33 -16.981 6.032 9.202 1.00 0.00 N ATOM 1058 CZ ARG D 33 -18.004 6.596 9.851 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -19.014 7.125 9.168 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -18.001 6.652 11.180 1.00 0.00 N ATOM 0 H ARG D 33 -13.709 5.333 3.499 1.00 0.00 H new ATOM 0 HA ARG D 33 -14.381 6.999 5.850 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -16.287 5.460 5.332 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -15.192 4.100 5.487 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -15.781 4.072 7.682 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -14.727 5.461 7.864 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -16.694 6.963 7.337 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -17.723 5.545 7.295 1.00 0.00 H new ATOM 0 HE ARG D 33 -16.245 5.614 9.771 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -19.008 7.101 8.148 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -19.795 7.555 9.664 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -17.217 6.264 11.705 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -18.782 7.083 11.674 1.00 0.00 H new ATOM 1074 N TYR D 34 -11.881 6.353 6.027 1.00 0.00 N ATOM 1075 CA TYR D 34 -10.564 5.992 6.527 1.00 0.00 C ATOM 1076 C TYR D 34 -10.554 6.085 8.057 1.00 0.00 C ATOM 1077 O TYR D 34 -9.753 5.446 8.725 1.00 0.00 O ATOM 1078 CB TYR D 34 -9.534 6.946 5.925 1.00 0.00 C ATOM 1079 CG TYR D 34 -9.424 6.880 4.411 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -8.794 5.773 3.816 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -9.909 7.928 3.601 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -8.563 5.741 2.433 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -9.690 7.900 2.209 1.00 0.00 C ATOM 1084 CZ TYR D 34 -8.986 6.817 1.627 1.00 0.00 C ATOM 1085 OH TYR D 34 -8.661 6.836 0.308 1.00 0.00 O ATOM 0 H TYR D 34 -11.967 7.334 5.761 1.00 0.00 H new ATOM 0 HA TYR D 34 -10.318 4.969 6.242 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -9.789 7.966 6.214 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -8.558 6.727 6.358 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -8.485 4.940 4.429 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -10.448 8.751 4.047 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -8.062 4.894 1.987 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -10.058 8.703 1.587 1.00 0.00 H new ATOM 0 HH TYR D 34 -9.303 7.393 -0.179 1.00 0.00 H new