USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: D 27 ASN : amide:sc= -0.387 K(o=-0.75,f=-2.7!) USER MOD Set 1.2: D 32 HIS : no HD1:sc= -0.368 X(o=-0.75,f=-0.33) USER MOD Set 1.3: D 34 TYR OH : rot 153:sc= 0 USER MOD Set 2.1: C 27 ASN : amide:sc= -0.176 K(o=-0.18,f=-0.83) USER MOD Set 2.2: C 32 HIS : no HD1:sc= 0 X(o=-0.18,f=-0.18) USER MOD Single : C 19 TYR OH : rot 180:sc= -0.0129 USER MOD Single : C 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 23 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.15) 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 -65:sc= 1.17 USER MOD Single : C 34 TYR OH : rot 180:sc= 0 USER MOD Single : D 19 TYR OH : rot 180:sc= 0 USER MOD Single : D 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 23 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.12) USER MOD Single : D 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 25 TYR OH : rot 180:sc= 0 USER MOD Single : D 30 THR OG1 : rot -76:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 121 N PRO C 11 -8.018 -6.732 8.417 1.00 0.00 N ATOM 122 CA PRO C 11 -9.315 -6.149 8.103 1.00 0.00 C ATOM 123 C PRO C 11 -9.134 -4.752 7.510 1.00 0.00 C ATOM 124 O PRO C 11 -8.206 -4.045 7.907 1.00 0.00 O ATOM 125 CB PRO C 11 -10.066 -6.111 9.437 1.00 0.00 C ATOM 126 CG PRO C 11 -8.951 -5.976 10.466 1.00 0.00 C ATOM 127 CD PRO C 11 -7.828 -6.810 9.859 1.00 0.00 C ATOM 0 HA PRO C 11 -9.867 -6.723 7.359 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -10.760 -5.272 9.484 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -10.651 -7.017 9.595 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -8.653 -4.937 10.605 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -9.254 -6.355 11.442 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -6.851 -6.421 10.147 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -7.875 -7.842 10.205 1.00 0.00 H new ATOM 135 N VAL C 12 -10.089 -4.283 6.698 1.00 0.00 N ATOM 136 CA VAL C 12 -9.983 -2.955 6.089 1.00 0.00 C ATOM 137 C VAL C 12 -9.932 -1.867 7.168 1.00 0.00 C ATOM 138 O VAL C 12 -9.121 -0.951 7.069 1.00 0.00 O ATOM 139 CB VAL C 12 -11.127 -2.663 5.096 1.00 0.00 C ATOM 140 CG1 VAL C 12 -10.688 -1.550 4.135 1.00 0.00 C ATOM 141 CG2 VAL C 12 -11.554 -3.867 4.248 1.00 0.00 C ATOM 0 H VAL C 12 -10.934 -4.798 6.450 1.00 0.00 H new ATOM 0 HA VAL C 12 -9.052 -2.946 5.522 1.00 0.00 H new ATOM 0 HB VAL C 12 -11.983 -2.378 5.708 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -11.493 -1.339 3.431 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -10.458 -0.649 4.703 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -9.801 -1.870 3.588 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -12.362 -3.572 3.579 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -10.706 -4.217 3.660 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -11.898 -4.669 4.902 1.00 0.00 H new ATOM 151 N GLU C 13 -10.702 -2.035 8.248 1.00 0.00 N ATOM 152 CA GLU C 13 -10.785 -1.104 9.369 1.00 0.00 C ATOM 153 C GLU C 13 -9.408 -0.858 10.007 1.00 0.00 C ATOM 154 O GLU C 13 -9.243 0.118 10.739 1.00 0.00 O ATOM 155 CB GLU C 13 -11.771 -1.690 10.390 1.00 0.00 C ATOM 156 CG GLU C 13 -12.288 -0.672 11.422 1.00 0.00 C ATOM 157 CD GLU C 13 -12.796 -1.343 12.692 1.00 0.00 C ATOM 158 OE1 GLU C 13 -12.026 -2.134 13.280 1.00 0.00 O ATOM 159 OE2 GLU C 13 -13.861 -0.941 13.207 1.00 0.00 O ATOM 0 H GLU C 13 -11.303 -2.851 8.366 1.00 0.00 H new ATOM 0 HA GLU C 13 -11.135 -0.134 9.017 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -12.622 -2.113 9.856 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -11.286 -2.511 10.918 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -11.487 0.023 11.676 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -13.091 -0.084 10.978 1.00 0.00 H new ATOM 166 N ASP C 14 -8.459 -1.786 9.861 1.00 0.00 N ATOM 167 CA ASP C 14 -7.106 -1.653 10.399 1.00 0.00 C ATOM 168 C ASP C 14 -6.141 -1.323 9.266 1.00 0.00 C ATOM 169 O ASP C 14 -5.263 -0.488 9.456 1.00 0.00 O ATOM 170 CB ASP C 14 -6.669 -2.917 11.140 1.00 0.00 C ATOM 171 CG ASP C 14 -5.336 -2.688 11.856 1.00 0.00 C ATOM 172 OD1 ASP C 14 -5.271 -1.758 12.692 1.00 0.00 O ATOM 173 OD2 ASP C 14 -4.468 -3.592 11.787 1.00 0.00 O ATOM 0 H ASP C 14 -8.612 -2.661 9.359 1.00 0.00 H new ATOM 0 HA ASP C 14 -7.098 -0.840 11.125 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -7.432 -3.203 11.864 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -6.572 -3.743 10.435 1.00 0.00 H new ATOM 178 N LEU C 15 -6.367 -1.865 8.058 1.00 0.00 N ATOM 179 CA LEU C 15 -5.535 -1.608 6.884 1.00 0.00 C ATOM 180 C LEU C 15 -5.529 -0.104 6.600 1.00 0.00 C ATOM 181 O LEU C 15 -4.476 0.431 6.284 1.00 0.00 O ATOM 182 CB LEU C 15 -5.993 -2.420 5.657 1.00 0.00 C ATOM 183 CG LEU C 15 -4.823 -2.662 4.671 1.00 0.00 C ATOM 184 CD1 LEU C 15 -3.941 -3.825 5.150 1.00 0.00 C ATOM 185 CD2 LEU C 15 -5.336 -3.023 3.272 1.00 0.00 C ATOM 0 H LEU C 15 -7.143 -2.501 7.873 1.00 0.00 H new ATOM 0 HA LEU C 15 -4.518 -1.938 7.095 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -6.400 -3.377 5.983 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -6.797 -1.889 5.147 1.00 0.00 H new ATOM 0 HG LEU C 15 -4.251 -1.735 4.631 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -3.125 -3.978 4.443 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -3.531 -3.590 6.132 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -4.540 -4.733 5.215 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -4.490 -3.186 2.605 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -5.935 -3.932 3.327 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -5.949 -2.208 2.888 1.00 0.00 H new ATOM 197 N ILE C 16 -6.642 0.606 6.820 1.00 0.00 N ATOM 198 CA ILE C 16 -6.758 2.054 6.620 1.00 0.00 C ATOM 199 C ILE C 16 -5.721 2.796 7.484 1.00 0.00 C ATOM 200 O ILE C 16 -5.186 3.831 7.078 1.00 0.00 O ATOM 201 CB ILE C 16 -8.191 2.497 7.026 1.00 0.00 C ATOM 202 CG1 ILE C 16 -9.259 2.024 6.019 1.00 0.00 C ATOM 203 CG2 ILE C 16 -8.318 4.021 7.187 1.00 0.00 C ATOM 204 CD1 ILE C 16 -10.657 1.940 6.648 1.00 0.00 C ATOM 0 H ILE C 16 -7.507 0.178 7.150 1.00 0.00 H new ATOM 0 HA ILE C 16 -6.573 2.295 5.573 1.00 0.00 H new ATOM 0 HB ILE C 16 -8.366 2.021 7.991 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -9.285 2.709 5.172 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -8.979 1.045 5.629 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -9.340 4.273 7.471 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.631 4.364 7.961 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -8.073 4.508 6.243 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -11.373 1.603 5.899 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -10.641 1.234 7.478 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.951 2.924 7.014 1.00 0.00 H new ATOM 216 N ARG C 17 -5.506 2.314 8.711 1.00 0.00 N ATOM 217 CA ARG C 17 -4.597 2.877 9.701 1.00 0.00 C ATOM 218 C ARG C 17 -3.267 2.151 9.792 1.00 0.00 C ATOM 219 O ARG C 17 -2.509 2.412 10.725 1.00 0.00 O ATOM 220 CB ARG C 17 -5.332 2.921 11.051 1.00 0.00 C ATOM 221 CG ARG C 17 -4.948 4.154 11.866 1.00 0.00 C ATOM 222 CD ARG C 17 -5.622 5.399 11.298 1.00 0.00 C ATOM 223 NE ARG C 17 -5.363 6.541 12.176 1.00 0.00 N ATOM 224 CZ ARG C 17 -6.264 7.365 12.710 1.00 0.00 C ATOM 225 NH1 ARG C 17 -7.531 7.335 12.325 1.00 0.00 N ATOM 226 NH2 ARG C 17 -5.887 8.201 13.667 1.00 0.00 N ATOM 0 H ARG C 17 -5.986 1.481 9.053 1.00 0.00 H new ATOM 0 HA ARG C 17 -4.325 3.885 9.389 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -6.408 2.920 10.879 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -5.099 2.022 11.621 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -5.242 4.016 12.906 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -3.866 4.282 11.855 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.244 5.604 10.296 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -6.696 5.234 11.206 1.00 0.00 H new ATOM 0 HE ARG C 17 -4.386 6.726 12.404 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -7.831 6.674 11.609 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -8.207 7.973 12.745 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -4.918 8.208 13.986 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -6.566 8.837 14.085 1.00 0.00 H new ATOM 240 N PHE C 18 -2.926 1.390 8.762 1.00 0.00 N ATOM 241 CA PHE C 18 -1.694 0.634 8.627 1.00 0.00 C ATOM 242 C PHE C 18 -1.040 1.097 7.324 1.00 0.00 C ATOM 243 O PHE C 18 0.094 1.556 7.342 1.00 0.00 O ATOM 244 CB PHE C 18 -2.025 -0.859 8.678 1.00 0.00 C ATOM 245 CG PHE C 18 -0.987 -1.764 8.061 1.00 0.00 C ATOM 246 CD1 PHE C 18 0.132 -2.179 8.805 1.00 0.00 C ATOM 247 CD2 PHE C 18 -1.151 -2.193 6.731 1.00 0.00 C ATOM 248 CE1 PHE C 18 1.084 -3.028 8.216 1.00 0.00 C ATOM 249 CE2 PHE C 18 -0.213 -3.060 6.154 1.00 0.00 C ATOM 250 CZ PHE C 18 0.905 -3.471 6.895 1.00 0.00 C ATOM 0 H PHE C 18 -3.538 1.279 7.954 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.983 0.804 9.436 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -2.165 -1.149 9.719 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -2.976 -1.023 8.170 1.00 0.00 H new ATOM 0 HD1 PHE C 18 0.259 -1.847 9.825 1.00 0.00 H new ATOM 0 HD2 PHE C 18 -1.999 -1.854 6.155 1.00 0.00 H new ATOM 0 HE1 PHE C 18 1.952 -3.340 8.778 1.00 0.00 H new ATOM 0 HE2 PHE C 18 -0.351 -3.411 5.142 1.00 0.00 H new ATOM 0 HZ PHE C 18 1.632 -4.132 6.447 1.00 0.00 H new ATOM 260 N TYR C 19 -1.817 1.178 6.237 1.00 0.00 N ATOM 261 CA TYR C 19 -1.425 1.612 4.898 1.00 0.00 C ATOM 262 C TYR C 19 -0.796 3.011 4.915 1.00 0.00 C ATOM 263 O TYR C 19 0.002 3.343 4.038 1.00 0.00 O ATOM 264 CB TYR C 19 -2.669 1.581 3.995 1.00 0.00 C ATOM 265 CG TYR C 19 -2.589 2.401 2.720 1.00 0.00 C ATOM 266 CD1 TYR C 19 -1.981 1.882 1.561 1.00 0.00 C ATOM 267 CD2 TYR C 19 -3.159 3.688 2.698 1.00 0.00 C ATOM 268 CE1 TYR C 19 -1.917 2.663 0.390 1.00 0.00 C ATOM 269 CE2 TYR C 19 -3.100 4.470 1.534 1.00 0.00 C ATOM 270 CZ TYR C 19 -2.464 3.967 0.379 1.00 0.00 C ATOM 271 OH TYR C 19 -2.375 4.745 -0.731 1.00 0.00 O ATOM 0 H TYR C 19 -2.804 0.924 6.277 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.664 0.934 4.510 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.871 0.545 3.724 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.523 1.931 4.575 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -1.564 0.886 1.570 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -3.644 4.076 3.582 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -1.450 2.266 -0.499 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -3.541 5.456 1.522 1.00 0.00 H new ATOM 0 HH TYR C 19 -2.805 5.609 -0.560 1.00 0.00 H new ATOM 281 N ASN C 20 -1.220 3.877 5.840 1.00 0.00 N ATOM 282 CA ASN C 20 -0.670 5.223 5.938 1.00 0.00 C ATOM 283 C ASN C 20 0.792 5.099 6.348 1.00 0.00 C ATOM 284 O ASN C 20 1.666 5.472 5.573 1.00 0.00 O ATOM 285 CB ASN C 20 -1.503 6.095 6.895 1.00 0.00 C ATOM 286 CG ASN C 20 -1.625 7.505 6.334 1.00 0.00 C ATOM 287 OD1 ASN C 20 -0.633 8.216 6.182 1.00 0.00 O ATOM 288 ND2 ASN C 20 -2.813 7.888 5.898 1.00 0.00 N ATOM 0 H ASN C 20 -1.942 3.666 6.529 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.718 5.735 4.977 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.493 5.660 7.029 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.032 6.124 7.878 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -2.918 8.786 5.427 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.625 7.285 6.033 1.00 0.00 H new ATOM 295 N ASP C 21 1.071 4.456 7.485 1.00 0.00 N ATOM 296 CA ASP C 21 2.454 4.268 7.945 1.00 0.00 C ATOM 297 C ASP C 21 3.241 3.324 7.019 1.00 0.00 C ATOM 298 O ASP C 21 4.460 3.461 6.886 1.00 0.00 O ATOM 299 CB ASP C 21 2.457 3.746 9.381 1.00 0.00 C ATOM 300 CG ASP C 21 3.867 3.529 9.920 1.00 0.00 C ATOM 301 OD1 ASP C 21 4.295 2.353 9.899 1.00 0.00 O ATOM 302 OD2 ASP C 21 4.209 4.285 10.852 1.00 0.00 O ATOM 0 H ASP C 21 0.364 4.058 8.103 1.00 0.00 H new ATOM 0 HA ASP C 21 2.954 5.236 7.916 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.931 4.453 10.022 1.00 0.00 H new ATOM 0 HB3 ASP C 21 1.906 2.806 9.424 1.00 0.00 H new ATOM 307 N LEU C 22 2.559 2.434 6.283 1.00 0.00 N ATOM 308 CA LEU C 22 3.130 1.473 5.337 1.00 0.00 C ATOM 309 C LEU C 22 3.903 2.184 4.226 1.00 0.00 C ATOM 310 O LEU C 22 4.784 1.585 3.618 1.00 0.00 O ATOM 311 CB LEU C 22 2.013 0.598 4.755 1.00 0.00 C ATOM 312 CG LEU C 22 2.490 -0.504 3.796 1.00 0.00 C ATOM 313 CD1 LEU C 22 3.366 -1.559 4.484 1.00 0.00 C ATOM 314 CD2 LEU C 22 1.276 -1.176 3.150 1.00 0.00 C ATOM 0 H LEU C 22 1.543 2.364 6.337 1.00 0.00 H new ATOM 0 HA LEU C 22 3.838 0.837 5.869 1.00 0.00 H new ATOM 0 HB2 LEU C 22 1.469 0.134 5.577 1.00 0.00 H new ATOM 0 HB3 LEU C 22 1.307 1.239 4.227 1.00 0.00 H new ATOM 0 HG LEU C 22 3.111 -0.027 3.038 1.00 0.00 H new ATOM 0 HD11 LEU C 22 3.671 -2.310 3.755 1.00 0.00 H new ATOM 0 HD12 LEU C 22 4.251 -1.080 4.904 1.00 0.00 H new ATOM 0 HD13 LEU C 22 2.799 -2.038 5.283 1.00 0.00 H new ATOM 0 HD21 LEU C 22 1.612 -1.958 2.469 1.00 0.00 H new ATOM 0 HD22 LEU C 22 0.648 -1.615 3.925 1.00 0.00 H new ATOM 0 HD23 LEU C 22 0.702 -0.434 2.595 1.00 0.00 H new ATOM 326 N GLN C 23 3.657 3.480 4.015 1.00 0.00 N ATOM 327 CA GLN C 23 4.329 4.299 3.016 1.00 0.00 C ATOM 328 C GLN C 23 5.861 4.196 3.174 1.00 0.00 C ATOM 329 O GLN C 23 6.607 4.266 2.192 1.00 0.00 O ATOM 330 CB GLN C 23 3.779 5.734 3.157 1.00 0.00 C ATOM 331 CG GLN C 23 4.331 6.491 4.383 1.00 0.00 C ATOM 332 CD GLN C 23 3.503 7.698 4.826 1.00 0.00 C ATOM 333 OE1 GLN C 23 3.608 8.118 5.976 1.00 0.00 O ATOM 334 NE2 GLN C 23 2.807 8.385 3.929 1.00 0.00 N ATOM 0 H GLN C 23 2.963 3.999 4.553 1.00 0.00 H new ATOM 0 HA GLN C 23 4.128 3.953 2.002 1.00 0.00 H new ATOM 0 HB2 GLN C 23 4.020 6.296 2.255 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.692 5.692 3.226 1.00 0.00 H new ATOM 0 HG2 GLN C 23 4.405 5.794 5.218 1.00 0.00 H new ATOM 0 HG3 GLN C 23 5.343 6.827 4.158 1.00 0.00 H new ATOM 0 HE21 GLN C 23 2.720 8.036 2.975 1.00 0.00 H new ATOM 0 HE22 GLN C 23 2.359 9.262 4.194 1.00 0.00 H new ATOM 343 N GLN C 24 6.330 3.977 4.411 1.00 0.00 N ATOM 344 CA GLN C 24 7.729 3.832 4.802 1.00 0.00 C ATOM 345 C GLN C 24 8.413 2.637 4.119 1.00 0.00 C ATOM 346 O GLN C 24 9.614 2.710 3.847 1.00 0.00 O ATOM 347 CB GLN C 24 7.825 3.747 6.336 1.00 0.00 C ATOM 348 CG GLN C 24 7.444 5.106 6.947 1.00 0.00 C ATOM 349 CD GLN C 24 7.377 5.134 8.468 1.00 0.00 C ATOM 350 OE1 GLN C 24 6.474 5.749 9.024 1.00 0.00 O ATOM 351 NE2 GLN C 24 8.415 4.718 9.173 1.00 0.00 N ATOM 0 H GLN C 24 5.700 3.892 5.209 1.00 0.00 H new ATOM 0 HA GLN C 24 8.271 4.714 4.460 1.00 0.00 H new ATOM 0 HB2 GLN C 24 7.161 2.968 6.711 1.00 0.00 H new ATOM 0 HB3 GLN C 24 8.837 3.473 6.634 1.00 0.00 H new ATOM 0 HG2 GLN C 24 8.168 5.851 6.617 1.00 0.00 H new ATOM 0 HG3 GLN C 24 6.474 5.406 6.550 1.00 0.00 H new ATOM 0 HE21 GLN C 24 9.170 4.206 8.716 1.00 0.00 H new ATOM 0 HE22 GLN C 24 8.461 4.909 10.174 1.00 0.00 H new ATOM 360 N TYR C 25 7.646 1.623 3.706 1.00 0.00 N ATOM 361 CA TYR C 25 8.110 0.414 3.035 1.00 0.00 C ATOM 362 C TYR C 25 8.782 0.773 1.712 1.00 0.00 C ATOM 363 O TYR C 25 9.726 0.108 1.291 1.00 0.00 O ATOM 364 CB TYR C 25 6.901 -0.520 2.825 1.00 0.00 C ATOM 365 CG TYR C 25 7.202 -1.949 2.411 1.00 0.00 C ATOM 366 CD1 TYR C 25 7.529 -2.266 1.078 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.099 -2.980 3.364 1.00 0.00 C ATOM 368 CE1 TYR C 25 7.809 -3.597 0.716 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.381 -4.310 3.008 1.00 0.00 C ATOM 370 CZ TYR C 25 7.759 -4.625 1.683 1.00 0.00 C ATOM 371 OH TYR C 25 8.085 -5.899 1.318 1.00 0.00 O ATOM 0 H TYR C 25 6.635 1.628 3.839 1.00 0.00 H new ATOM 0 HA TYR C 25 8.853 -0.101 3.644 1.00 0.00 H new ATOM 0 HB2 TYR C 25 6.329 -0.549 3.752 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.256 -0.076 2.067 1.00 0.00 H new ATOM 0 HD1 TYR C 25 7.565 -1.486 0.332 1.00 0.00 H new ATOM 0 HD2 TYR C 25 6.801 -2.747 4.376 1.00 0.00 H new ATOM 0 HE1 TYR C 25 8.063 -3.833 -0.307 1.00 0.00 H new ATOM 0 HE2 TYR C 25 7.309 -5.093 3.748 1.00 0.00 H new ATOM 0 HH TYR C 25 8.003 -6.492 2.094 1.00 0.00 H new ATOM 381 N LEU C 26 8.308 1.827 1.044 1.00 0.00 N ATOM 382 CA LEU C 26 8.855 2.300 -0.222 1.00 0.00 C ATOM 383 C LEU C 26 9.739 3.522 0.025 1.00 0.00 C ATOM 384 O LEU C 26 10.795 3.665 -0.602 1.00 0.00 O ATOM 385 CB LEU C 26 7.725 2.639 -1.209 1.00 0.00 C ATOM 386 CG LEU C 26 6.872 1.426 -1.641 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.605 1.285 -0.788 1.00 0.00 C ATOM 388 CD2 LEU C 26 6.450 1.563 -3.106 1.00 0.00 C ATOM 0 H LEU C 26 7.520 2.383 1.376 1.00 0.00 H new ATOM 0 HA LEU C 26 9.460 1.508 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU C 26 7.072 3.384 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU C 26 8.160 3.097 -2.097 1.00 0.00 H new ATOM 0 HG LEU C 26 7.493 0.541 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU C 26 5.034 0.420 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU C 26 5.883 1.151 0.257 1.00 0.00 H new ATOM 0 HD13 LEU C 26 4.996 2.183 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU C 26 5.850 0.700 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU C 26 5.862 2.472 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU C 26 7.337 1.615 -3.737 1.00 0.00 H new ATOM 400 N ASN C 27 9.383 4.337 1.024 1.00 0.00 N ATOM 401 CA ASN C 27 10.089 5.555 1.403 1.00 0.00 C ATOM 402 C ASN C 27 11.560 5.313 1.709 1.00 0.00 C ATOM 403 O ASN C 27 12.426 5.965 1.131 1.00 0.00 O ATOM 404 CB ASN C 27 9.449 6.202 2.637 1.00 0.00 C ATOM 405 CG ASN C 27 9.714 7.692 2.659 1.00 0.00 C ATOM 406 OD1 ASN C 27 10.841 8.128 2.881 1.00 0.00 O ATOM 407 ND2 ASN C 27 8.686 8.481 2.409 1.00 0.00 N ATOM 0 H ASN C 27 8.567 4.156 1.608 1.00 0.00 H new ATOM 0 HA ASN C 27 10.014 6.217 0.540 1.00 0.00 H new ATOM 0 HB2 ASN C 27 8.374 6.019 2.634 1.00 0.00 H new ATOM 0 HB3 ASN C 27 9.848 5.743 3.542 1.00 0.00 H new ATOM 0 HD21 ASN C 27 8.811 9.493 2.395 1.00 0.00 H new ATOM 0 HD22 ASN C 27 7.766 8.079 2.230 1.00 0.00 H new ATOM 414 N VAL C 28 11.840 4.401 2.639 1.00 0.00 N ATOM 415 CA VAL C 28 13.190 4.069 3.064 1.00 0.00 C ATOM 416 C VAL C 28 13.946 3.380 1.929 1.00 0.00 C ATOM 417 O VAL C 28 15.013 3.847 1.525 1.00 0.00 O ATOM 418 CB VAL C 28 13.119 3.213 4.348 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.520 2.858 4.869 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.370 3.954 5.469 1.00 0.00 C ATOM 0 H VAL C 28 11.120 3.866 3.124 1.00 0.00 H new ATOM 0 HA VAL C 28 13.749 4.974 3.302 1.00 0.00 H new ATOM 0 HB VAL C 28 12.585 2.301 4.080 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.430 2.256 5.773 1.00 0.00 H new ATOM 0 HG12 VAL C 28 15.059 2.293 4.108 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.067 3.773 5.096 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.336 3.327 6.360 1.00 0.00 H new ATOM 0 HG22 VAL C 28 12.889 4.885 5.700 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.354 4.176 5.143 1.00 0.00 H new ATOM 430 N VAL C 29 13.353 2.346 1.328 1.00 0.00 N ATOM 431 CA VAL C 29 13.946 1.566 0.247 1.00 0.00 C ATOM 432 C VAL C 29 14.433 2.436 -0.918 1.00 0.00 C ATOM 433 O VAL C 29 15.543 2.196 -1.404 1.00 0.00 O ATOM 434 CB VAL C 29 12.946 0.464 -0.178 1.00 0.00 C ATOM 435 CG1 VAL C 29 13.425 -0.386 -1.365 1.00 0.00 C ATOM 436 CG2 VAL C 29 12.718 -0.492 1.005 1.00 0.00 C ATOM 0 H VAL C 29 12.422 2.022 1.589 1.00 0.00 H new ATOM 0 HA VAL C 29 14.854 1.084 0.610 1.00 0.00 H new ATOM 0 HB VAL C 29 12.037 0.983 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL C 29 12.671 -1.136 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL C 29 13.585 0.256 -2.231 1.00 0.00 H new ATOM 0 HG13 VAL C 29 14.360 -0.882 -1.104 1.00 0.00 H new ATOM 0 HG21 VAL C 29 12.014 -1.271 0.713 1.00 0.00 H new ATOM 0 HG22 VAL C 29 13.665 -0.948 1.292 1.00 0.00 H new ATOM 0 HG23 VAL C 29 12.312 0.065 1.850 1.00 0.00 H new ATOM 446 N THR C 30 13.759 3.544 -1.232 1.00 0.00 N ATOM 447 CA THR C 30 14.140 4.418 -2.341 1.00 0.00 C ATOM 448 C THR C 30 14.519 5.835 -1.915 1.00 0.00 C ATOM 449 O THR C 30 14.700 6.687 -2.784 1.00 0.00 O ATOM 450 CB THR C 30 12.981 4.443 -3.350 1.00 0.00 C ATOM 451 OG1 THR C 30 11.819 4.979 -2.748 1.00 0.00 O ATOM 452 CG2 THR C 30 12.669 3.055 -3.921 1.00 0.00 C ATOM 0 H THR C 30 12.933 3.860 -0.724 1.00 0.00 H new ATOM 0 HA THR C 30 15.045 4.009 -2.790 1.00 0.00 H new ATOM 0 HB THR C 30 13.297 5.077 -4.179 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.516 4.382 -2.033 1.00 0.00 H new ATOM 0 HG21 THR C 30 11.843 3.130 -4.628 1.00 0.00 H new ATOM 0 HG22 THR C 30 13.550 2.665 -4.432 1.00 0.00 H new ATOM 0 HG23 THR C 30 12.392 2.382 -3.110 1.00 0.00 H new ATOM 460 N ARG C 31 14.702 6.112 -0.615 1.00 0.00 N ATOM 461 CA ARG C 31 15.007 7.460 -0.102 1.00 0.00 C ATOM 462 C ARG C 31 13.989 8.453 -0.707 1.00 0.00 C ATOM 463 O ARG C 31 14.343 9.569 -1.080 1.00 0.00 O ATOM 464 CB ARG C 31 16.482 7.844 -0.352 1.00 0.00 C ATOM 465 CG ARG C 31 16.922 9.058 0.496 1.00 0.00 C ATOM 466 CD ARG C 31 18.154 9.756 -0.096 1.00 0.00 C ATOM 467 NE ARG C 31 18.421 11.049 0.569 1.00 0.00 N ATOM 468 CZ ARG C 31 18.074 12.270 0.129 1.00 0.00 C ATOM 469 NH1 ARG C 31 17.364 12.423 -0.980 1.00 0.00 N ATOM 470 NH2 ARG C 31 18.475 13.373 0.746 1.00 0.00 N ATOM 0 H ARG C 31 14.642 5.403 0.116 1.00 0.00 H new ATOM 0 HA ARG C 31 14.899 7.488 0.982 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.121 6.992 -0.122 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.622 8.071 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG C 31 16.100 9.770 0.564 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.144 8.730 1.511 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.024 9.107 0.006 1.00 0.00 H new ATOM 0 HD3 ARG C 31 18.002 9.920 -1.163 1.00 0.00 H new ATOM 0 HE ARG C 31 18.922 11.010 1.457 1.00 0.00 H new ATOM 0 HH11 ARG C 31 17.072 11.605 -1.515 1.00 0.00 H new ATOM 0 HH12 ARG C 31 17.110 13.358 -1.298 1.00 0.00 H new ATOM 0 HH21 ARG C 31 19.062 13.308 1.577 1.00 0.00 H new ATOM 0 HH22 ARG C 31 18.196 14.287 0.389 1.00 0.00 H new ATOM 484 N HIS C 32 12.740 8.008 -0.875 1.00 0.00 N ATOM 485 CA HIS C 32 11.618 8.741 -1.448 1.00 0.00 C ATOM 486 C HIS C 32 12.018 9.491 -2.732 1.00 0.00 C ATOM 487 O HIS C 32 11.807 10.696 -2.876 1.00 0.00 O ATOM 488 CB HIS C 32 10.969 9.605 -0.366 1.00 0.00 C ATOM 489 CG HIS C 32 9.615 10.147 -0.739 1.00 0.00 C ATOM 490 ND1 HIS C 32 9.369 11.445 -1.108 1.00 0.00 N ATOM 491 CD2 HIS C 32 8.408 9.502 -0.656 1.00 0.00 C ATOM 492 CE1 HIS C 32 8.049 11.594 -1.256 1.00 0.00 C ATOM 493 NE2 HIS C 32 7.413 10.451 -0.938 1.00 0.00 N ATOM 0 H HIS C 32 12.473 7.064 -0.595 1.00 0.00 H new ATOM 0 HA HIS C 32 10.851 8.045 -1.786 1.00 0.00 H new ATOM 0 HB2 HIS C 32 10.873 9.015 0.545 1.00 0.00 H new ATOM 0 HB3 HIS C 32 11.632 10.440 -0.137 1.00 0.00 H new ATOM 0 HD2 HIS C 32 8.252 8.460 -0.418 1.00 0.00 H new ATOM 0 HE1 HIS C 32 7.563 12.501 -1.584 1.00 0.00 H new ATOM 0 HE2 HIS C 32 6.404 10.303 -0.908 1.00 0.00 H new ATOM 501 N ARG C 33 12.659 8.776 -3.665 1.00 0.00 N ATOM 502 CA ARG C 33 13.086 9.330 -4.953 1.00 0.00 C ATOM 503 C ARG C 33 11.894 9.539 -5.898 1.00 0.00 C ATOM 504 O ARG C 33 12.088 10.017 -7.021 1.00 0.00 O ATOM 505 CB ARG C 33 14.144 8.407 -5.592 1.00 0.00 C ATOM 506 CG ARG C 33 15.572 8.778 -5.163 1.00 0.00 C ATOM 507 CD ARG C 33 16.618 8.003 -5.970 1.00 0.00 C ATOM 508 NE ARG C 33 16.506 6.551 -5.776 1.00 0.00 N ATOM 509 CZ ARG C 33 17.048 5.806 -4.810 1.00 0.00 C ATOM 510 NH1 ARG C 33 17.903 6.311 -3.927 1.00 0.00 N ATOM 511 NH2 ARG C 33 16.716 4.527 -4.731 1.00 0.00 N ATOM 0 H ARG C 33 12.897 7.791 -3.545 1.00 0.00 H new ATOM 0 HA ARG C 33 13.531 10.309 -4.777 1.00 0.00 H new ATOM 0 HB2 ARG C 33 13.939 7.374 -5.312 1.00 0.00 H new ATOM 0 HB3 ARG C 33 14.066 8.465 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG C 33 15.727 9.849 -5.297 1.00 0.00 H new ATOM 0 HG3 ARG C 33 15.701 8.568 -4.101 1.00 0.00 H new ATOM 0 HD2 ARG C 33 16.503 8.236 -7.029 1.00 0.00 H new ATOM 0 HD3 ARG C 33 17.616 8.331 -5.678 1.00 0.00 H new ATOM 0 HE ARG C 33 15.945 6.050 -6.465 1.00 0.00 H new ATOM 0 HH11 ARG C 33 18.163 7.296 -3.975 1.00 0.00 H new ATOM 0 HH12 ARG C 33 18.299 5.714 -3.201 1.00 0.00 H new ATOM 0 HH21 ARG C 33 16.058 4.129 -5.401 1.00 0.00 H new ATOM 0 HH22 ARG C 33 17.119 3.940 -4.001 1.00 0.00 H new ATOM 525 N TYR C 34 10.694 9.103 -5.518 1.00 0.00 N ATOM 526 CA TYR C 34 9.460 9.216 -6.273 1.00 0.00 C ATOM 527 C TYR C 34 8.518 10.144 -5.501 1.00 0.00 C ATOM 528 O TYR C 34 8.716 10.435 -4.327 1.00 0.00 O ATOM 529 CB TYR C 34 8.873 7.811 -6.479 1.00 0.00 C ATOM 530 CG TYR C 34 8.354 7.175 -5.202 1.00 0.00 C ATOM 531 CD1 TYR C 34 9.232 6.537 -4.300 1.00 0.00 C ATOM 532 CD2 TYR C 34 6.989 7.289 -4.884 1.00 0.00 C ATOM 533 CE1 TYR C 34 8.747 6.066 -3.066 1.00 0.00 C ATOM 534 CE2 TYR C 34 6.500 6.803 -3.662 1.00 0.00 C ATOM 535 CZ TYR C 34 7.384 6.218 -2.734 1.00 0.00 C ATOM 536 OH TYR C 34 6.941 5.838 -1.508 1.00 0.00 O ATOM 0 H TYR C 34 10.556 8.635 -4.622 1.00 0.00 H new ATOM 0 HA TYR C 34 9.623 9.645 -7.262 1.00 0.00 H new ATOM 0 HB2 TYR C 34 8.060 7.869 -7.203 1.00 0.00 H new ATOM 0 HB3 TYR C 34 9.639 7.166 -6.911 1.00 0.00 H new ATOM 0 HD1 TYR C 34 10.274 6.411 -4.556 1.00 0.00 H new ATOM 0 HD2 TYR C 34 6.312 7.754 -5.585 1.00 0.00 H new ATOM 0 HE1 TYR C 34 9.420 5.587 -2.371 1.00 0.00 H new ATOM 0 HE2 TYR C 34 5.447 6.877 -3.433 1.00 0.00 H new ATOM 0 HH TYR C 34 5.979 6.010 -1.440 1.00 0.00 H new ATOM 670 N PRO D 11 8.132 -7.158 -8.089 1.00 0.00 N ATOM 671 CA PRO D 11 9.406 -6.469 -7.936 1.00 0.00 C ATOM 672 C PRO D 11 9.195 -5.036 -7.437 1.00 0.00 C ATOM 673 O PRO D 11 8.198 -4.392 -7.774 1.00 0.00 O ATOM 674 CB PRO D 11 10.093 -6.539 -9.303 1.00 0.00 C ATOM 675 CG PRO D 11 8.942 -6.766 -10.280 1.00 0.00 C ATOM 676 CD PRO D 11 7.922 -7.554 -9.470 1.00 0.00 C ATOM 0 HA PRO D 11 10.039 -6.937 -7.182 1.00 0.00 H new ATOM 0 HB2 PRO D 11 10.632 -5.618 -9.527 1.00 0.00 H new ATOM 0 HB3 PRO D 11 10.819 -7.351 -9.345 1.00 0.00 H new ATOM 0 HG2 PRO D 11 8.527 -5.822 -10.635 1.00 0.00 H new ATOM 0 HG3 PRO D 11 9.268 -7.321 -11.159 1.00 0.00 H new ATOM 0 HD2 PRO D 11 6.906 -7.328 -9.793 1.00 0.00 H new ATOM 0 HD3 PRO D 11 8.065 -8.627 -9.596 1.00 0.00 H new ATOM 684 N VAL D 12 10.166 -4.530 -6.674 1.00 0.00 N ATOM 685 CA VAL D 12 10.174 -3.199 -6.068 1.00 0.00 C ATOM 686 C VAL D 12 9.868 -2.104 -7.095 1.00 0.00 C ATOM 687 O VAL D 12 9.162 -1.148 -6.781 1.00 0.00 O ATOM 688 CB VAL D 12 11.541 -2.962 -5.373 1.00 0.00 C ATOM 689 CG1 VAL D 12 11.610 -1.615 -4.635 1.00 0.00 C ATOM 690 CG2 VAL D 12 11.894 -4.039 -4.335 1.00 0.00 C ATOM 0 H VAL D 12 11.007 -5.063 -6.452 1.00 0.00 H new ATOM 0 HA VAL D 12 9.382 -3.149 -5.321 1.00 0.00 H new ATOM 0 HB VAL D 12 12.250 -2.988 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL D 12 12.589 -1.505 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL D 12 11.453 -0.803 -5.345 1.00 0.00 H new ATOM 0 HG13 VAL D 12 10.837 -1.581 -3.867 1.00 0.00 H new ATOM 0 HG21 VAL D 12 12.862 -3.811 -3.889 1.00 0.00 H new ATOM 0 HG22 VAL D 12 11.131 -4.058 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL D 12 11.940 -5.013 -4.822 1.00 0.00 H new ATOM 700 N GLU D 13 10.464 -2.179 -8.286 1.00 0.00 N ATOM 701 CA GLU D 13 10.266 -1.185 -9.332 1.00 0.00 C ATOM 702 C GLU D 13 8.802 -1.093 -9.780 1.00 0.00 C ATOM 703 O GLU D 13 8.282 0.018 -9.903 1.00 0.00 O ATOM 704 CB GLU D 13 11.251 -1.477 -10.468 1.00 0.00 C ATOM 705 CG GLU D 13 11.155 -0.440 -11.593 1.00 0.00 C ATOM 706 CD GLU D 13 12.372 -0.514 -12.515 1.00 0.00 C ATOM 707 OE1 GLU D 13 12.505 -1.510 -13.260 1.00 0.00 O ATOM 708 OE2 GLU D 13 13.331 0.265 -12.262 1.00 0.00 O ATOM 0 H GLU D 13 11.098 -2.934 -8.549 1.00 0.00 H new ATOM 0 HA GLU D 13 10.481 -0.189 -8.945 1.00 0.00 H new ATOM 0 HB2 GLU D 13 12.267 -1.490 -10.073 1.00 0.00 H new ATOM 0 HB3 GLU D 13 11.054 -2.470 -10.872 1.00 0.00 H new ATOM 0 HG2 GLU D 13 10.246 -0.609 -12.171 1.00 0.00 H new ATOM 0 HG3 GLU D 13 11.079 0.560 -11.165 1.00 0.00 H new ATOM 715 N ASP D 14 8.141 -2.220 -10.054 1.00 0.00 N ATOM 716 CA ASP D 14 6.738 -2.217 -10.480 1.00 0.00 C ATOM 717 C ASP D 14 5.870 -1.738 -9.310 1.00 0.00 C ATOM 718 O ASP D 14 5.077 -0.803 -9.460 1.00 0.00 O ATOM 719 CB ASP D 14 6.324 -3.616 -10.971 1.00 0.00 C ATOM 720 CG ASP D 14 4.945 -3.636 -11.652 1.00 0.00 C ATOM 721 OD1 ASP D 14 3.985 -3.019 -11.150 1.00 0.00 O ATOM 722 OD2 ASP D 14 4.875 -4.006 -12.844 1.00 0.00 O ATOM 0 H ASP D 14 8.556 -3.150 -9.988 1.00 0.00 H new ATOM 0 HA ASP D 14 6.599 -1.534 -11.318 1.00 0.00 H new ATOM 0 HB2 ASP D 14 7.073 -3.984 -11.672 1.00 0.00 H new ATOM 0 HB3 ASP D 14 6.314 -4.303 -10.125 1.00 0.00 H new ATOM 727 N LEU D 15 6.167 -2.246 -8.101 1.00 0.00 N ATOM 728 CA LEU D 15 5.463 -1.912 -6.866 1.00 0.00 C ATOM 729 C LEU D 15 5.416 -0.398 -6.638 1.00 0.00 C ATOM 730 O LEU D 15 4.432 0.072 -6.093 1.00 0.00 O ATOM 731 CB LEU D 15 6.131 -2.565 -5.639 1.00 0.00 C ATOM 732 CG LEU D 15 5.065 -2.911 -4.576 1.00 0.00 C ATOM 733 CD1 LEU D 15 4.674 -4.380 -4.736 1.00 0.00 C ATOM 734 CD2 LEU D 15 5.539 -2.686 -3.139 1.00 0.00 C ATOM 0 H LEU D 15 6.923 -2.916 -7.960 1.00 0.00 H new ATOM 0 HA LEU D 15 4.450 -2.297 -6.979 1.00 0.00 H new ATOM 0 HB2 LEU D 15 6.661 -3.468 -5.941 1.00 0.00 H new ATOM 0 HB3 LEU D 15 6.872 -1.887 -5.215 1.00 0.00 H new ATOM 0 HG LEU D 15 4.221 -2.242 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU D 15 3.921 -4.639 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU D 15 4.268 -4.542 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU D 15 5.554 -5.008 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU D 15 4.739 -2.949 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU D 15 6.410 -3.310 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.805 -1.638 -3.004 1.00 0.00 H new ATOM 746 N ILE D 16 6.430 0.388 -7.019 1.00 0.00 N ATOM 747 CA ILE D 16 6.414 1.845 -6.822 1.00 0.00 C ATOM 748 C ILE D 16 5.311 2.492 -7.668 1.00 0.00 C ATOM 749 O ILE D 16 4.681 3.458 -7.227 1.00 0.00 O ATOM 750 CB ILE D 16 7.808 2.445 -7.130 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.825 2.012 -6.052 1.00 0.00 C ATOM 752 CG2 ILE D 16 7.806 3.986 -7.200 1.00 0.00 C ATOM 753 CD1 ILE D 16 10.253 1.965 -6.592 1.00 0.00 C ATOM 0 H ILE D 16 7.277 0.038 -7.468 1.00 0.00 H new ATOM 0 HA ILE D 16 6.188 2.059 -5.778 1.00 0.00 H new ATOM 0 HB ILE D 16 8.088 2.063 -8.112 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.779 2.705 -5.212 1.00 0.00 H new ATOM 0 HG13 ILE D 16 8.550 1.029 -5.670 1.00 0.00 H new ATOM 0 HG21 ILE D 16 8.813 4.342 -7.419 1.00 0.00 H new ATOM 0 HG22 ILE D 16 7.126 4.314 -7.987 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.477 4.393 -6.244 1.00 0.00 H new ATOM 0 HD11 ILE D 16 10.932 1.656 -5.798 1.00 0.00 H new ATOM 0 HD12 ILE D 16 10.308 1.252 -7.415 1.00 0.00 H new ATOM 0 HD13 ILE D 16 10.540 2.954 -6.950 1.00 0.00 H new ATOM 765 N ARG D 17 5.190 2.096 -8.938 1.00 0.00 N ATOM 766 CA ARG D 17 4.175 2.648 -9.835 1.00 0.00 C ATOM 767 C ARG D 17 2.805 2.196 -9.356 1.00 0.00 C ATOM 768 O ARG D 17 1.885 3.005 -9.219 1.00 0.00 O ATOM 769 CB ARG D 17 4.444 2.152 -11.273 1.00 0.00 C ATOM 770 CG ARG D 17 4.085 3.182 -12.349 1.00 0.00 C ATOM 771 CD ARG D 17 5.236 4.177 -12.492 1.00 0.00 C ATOM 772 NE ARG D 17 5.010 5.143 -13.572 1.00 0.00 N ATOM 773 CZ ARG D 17 5.972 5.864 -14.160 1.00 0.00 C ATOM 774 NH1 ARG D 17 7.205 5.878 -13.667 1.00 0.00 N ATOM 775 NH2 ARG D 17 5.720 6.563 -15.258 1.00 0.00 N ATOM 0 H ARG D 17 5.787 1.390 -9.369 1.00 0.00 H new ATOM 0 HA ARG D 17 4.211 3.737 -9.832 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.498 1.891 -11.368 1.00 0.00 H new ATOM 0 HB3 ARG D 17 3.872 1.241 -11.448 1.00 0.00 H new ATOM 0 HG2 ARG D 17 3.899 2.683 -13.300 1.00 0.00 H new ATOM 0 HG3 ARG D 17 3.168 3.705 -12.078 1.00 0.00 H new ATOM 0 HD2 ARG D 17 5.369 4.712 -11.552 1.00 0.00 H new ATOM 0 HD3 ARG D 17 6.161 3.633 -12.683 1.00 0.00 H new ATOM 0 HE ARG D 17 4.052 5.275 -13.898 1.00 0.00 H new ATOM 0 HH11 ARG D 17 7.427 5.336 -12.832 1.00 0.00 H new ATOM 0 HH12 ARG D 17 7.930 6.431 -14.123 1.00 0.00 H new ATOM 0 HH21 ARG D 17 4.784 6.555 -15.664 1.00 0.00 H new ATOM 0 HH22 ARG D 17 6.462 7.109 -15.697 1.00 0.00 H new ATOM 789 N PHE D 18 2.716 0.906 -9.053 1.00 0.00 N ATOM 790 CA PHE D 18 1.535 0.239 -8.571 1.00 0.00 C ATOM 791 C PHE D 18 1.046 0.862 -7.263 1.00 0.00 C ATOM 792 O PHE D 18 -0.128 1.182 -7.166 1.00 0.00 O ATOM 793 CB PHE D 18 1.901 -1.234 -8.398 1.00 0.00 C ATOM 794 CG PHE D 18 0.845 -2.044 -7.699 1.00 0.00 C ATOM 795 CD1 PHE D 18 0.766 -2.022 -6.293 1.00 0.00 C ATOM 796 CD2 PHE D 18 -0.057 -2.811 -8.453 1.00 0.00 C ATOM 797 CE1 PHE D 18 -0.220 -2.770 -5.640 1.00 0.00 C ATOM 798 CE2 PHE D 18 -1.028 -3.580 -7.798 1.00 0.00 C ATOM 799 CZ PHE D 18 -1.094 -3.561 -6.397 1.00 0.00 C ATOM 0 H PHE D 18 3.512 0.274 -9.145 1.00 0.00 H new ATOM 0 HA PHE D 18 0.711 0.343 -9.277 1.00 0.00 H new ATOM 0 HB2 PHE D 18 2.089 -1.670 -9.379 1.00 0.00 H new ATOM 0 HB3 PHE D 18 2.831 -1.304 -7.834 1.00 0.00 H new ATOM 0 HD1 PHE D 18 1.464 -1.430 -5.721 1.00 0.00 H new ATOM 0 HD2 PHE D 18 -0.003 -2.808 -9.532 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -0.306 -2.738 -4.564 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -1.720 -4.183 -8.367 1.00 0.00 H new ATOM 0 HZ PHE D 18 -1.832 -4.167 -5.893 1.00 0.00 H new ATOM 809 N TYR D 19 1.925 1.138 -6.294 1.00 0.00 N ATOM 810 CA TYR D 19 1.594 1.713 -4.989 1.00 0.00 C ATOM 811 C TYR D 19 0.886 3.063 -5.106 1.00 0.00 C ATOM 812 O TYR D 19 0.131 3.464 -4.214 1.00 0.00 O ATOM 813 CB TYR D 19 2.865 1.827 -4.139 1.00 0.00 C ATOM 814 CG TYR D 19 2.600 2.239 -2.712 1.00 0.00 C ATOM 815 CD1 TYR D 19 2.206 1.261 -1.782 1.00 0.00 C ATOM 816 CD2 TYR D 19 2.731 3.584 -2.321 1.00 0.00 C ATOM 817 CE1 TYR D 19 1.928 1.623 -0.456 1.00 0.00 C ATOM 818 CE2 TYR D 19 2.438 3.960 -0.995 1.00 0.00 C ATOM 819 CZ TYR D 19 2.030 2.974 -0.064 1.00 0.00 C ATOM 820 OH TYR D 19 1.728 3.293 1.220 1.00 0.00 O ATOM 0 H TYR D 19 2.923 0.960 -6.403 1.00 0.00 H new ATOM 0 HA TYR D 19 0.890 1.042 -4.497 1.00 0.00 H new ATOM 0 HB2 TYR D 19 3.382 0.867 -4.142 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.537 2.552 -4.599 1.00 0.00 H new ATOM 0 HD1 TYR D 19 2.117 0.229 -2.089 1.00 0.00 H new ATOM 0 HD2 TYR D 19 3.055 4.326 -3.035 1.00 0.00 H new ATOM 0 HE1 TYR D 19 1.637 0.870 0.262 1.00 0.00 H new ATOM 0 HE2 TYR D 19 2.524 4.993 -0.691 1.00 0.00 H new ATOM 0 HH TYR D 19 1.842 4.257 1.353 1.00 0.00 H new ATOM 830 N ASN D 20 1.185 3.813 -6.166 1.00 0.00 N ATOM 831 CA ASN D 20 0.554 5.099 -6.398 1.00 0.00 C ATOM 832 C ASN D 20 -0.904 4.833 -6.733 1.00 0.00 C ATOM 833 O ASN D 20 -1.790 5.320 -6.039 1.00 0.00 O ATOM 834 CB ASN D 20 1.265 5.841 -7.535 1.00 0.00 C ATOM 835 CG ASN D 20 1.179 7.339 -7.314 1.00 0.00 C ATOM 836 OD1 ASN D 20 0.118 7.932 -7.463 1.00 0.00 O ATOM 837 ND2 ASN D 20 2.262 7.955 -6.869 1.00 0.00 N ATOM 0 H ASN D 20 1.865 3.545 -6.878 1.00 0.00 H new ATOM 0 HA ASN D 20 0.621 5.734 -5.515 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.309 5.532 -7.584 1.00 0.00 H new ATOM 0 HB3 ASN D 20 0.810 5.580 -8.490 1.00 0.00 H new ATOM 0 HD21 ASN D 20 2.226 8.948 -6.641 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.133 7.436 -6.754 1.00 0.00 H new ATOM 844 N ASP D 21 -1.131 3.947 -7.700 1.00 0.00 N ATOM 845 CA ASP D 21 -2.446 3.537 -8.185 1.00 0.00 C ATOM 846 C ASP D 21 -3.261 2.778 -7.136 1.00 0.00 C ATOM 847 O ASP D 21 -4.474 2.990 -7.028 1.00 0.00 O ATOM 848 CB ASP D 21 -2.271 2.688 -9.453 1.00 0.00 C ATOM 849 CG ASP D 21 -2.765 3.482 -10.650 1.00 0.00 C ATOM 850 OD1 ASP D 21 -1.954 4.282 -11.176 1.00 0.00 O ATOM 851 OD2 ASP D 21 -4.005 3.577 -10.797 1.00 0.00 O ATOM 0 H ASP D 21 -0.370 3.475 -8.188 1.00 0.00 H new ATOM 0 HA ASP D 21 -3.013 4.440 -8.411 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.223 2.420 -9.585 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -2.829 1.756 -9.363 1.00 0.00 H new ATOM 856 N LEU D 22 -2.586 1.994 -6.287 1.00 0.00 N ATOM 857 CA LEU D 22 -3.126 1.181 -5.196 1.00 0.00 C ATOM 858 C LEU D 22 -3.953 2.044 -4.255 1.00 0.00 C ATOM 859 O LEU D 22 -4.833 1.532 -3.565 1.00 0.00 O ATOM 860 CB LEU D 22 -1.960 0.529 -4.424 1.00 0.00 C ATOM 861 CG LEU D 22 -2.333 -0.172 -3.099 1.00 0.00 C ATOM 862 CD1 LEU D 22 -3.209 -1.411 -3.305 1.00 0.00 C ATOM 863 CD2 LEU D 22 -1.076 -0.547 -2.312 1.00 0.00 C ATOM 0 H LEU D 22 -1.572 1.906 -6.352 1.00 0.00 H new ATOM 0 HA LEU D 22 -3.770 0.405 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -1.482 -0.202 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -1.218 1.298 -4.209 1.00 0.00 H new ATOM 0 HG LEU D 22 -2.921 0.546 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -3.438 -1.860 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -4.136 -1.123 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -2.677 -2.134 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -1.362 -1.039 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -0.462 -1.223 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -0.507 0.354 -2.085 1.00 0.00 H new ATOM 875 N GLN D 23 -3.682 3.349 -4.199 1.00 0.00 N ATOM 876 CA GLN D 23 -4.400 4.287 -3.360 1.00 0.00 C ATOM 877 C GLN D 23 -5.918 4.143 -3.569 1.00 0.00 C ATOM 878 O GLN D 23 -6.670 4.204 -2.599 1.00 0.00 O ATOM 879 CB GLN D 23 -3.853 5.699 -3.634 1.00 0.00 C ATOM 880 CG GLN D 23 -4.418 6.324 -4.918 1.00 0.00 C ATOM 881 CD GLN D 23 -3.670 7.565 -5.396 1.00 0.00 C ATOM 882 OE1 GLN D 23 -3.749 7.910 -6.572 1.00 0.00 O ATOM 883 NE2 GLN D 23 -3.229 8.426 -4.494 1.00 0.00 N ATOM 0 H GLN D 23 -2.941 3.784 -4.749 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.240 4.078 -2.302 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -4.089 6.344 -2.788 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.766 5.654 -3.706 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -4.400 5.576 -5.710 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -5.463 6.586 -4.751 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -3.160 8.148 -3.515 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -2.958 9.368 -4.777 1.00 0.00 H new ATOM 892 N GLN D 24 -6.361 3.835 -4.799 1.00 0.00 N ATOM 893 CA GLN D 24 -7.772 3.661 -5.125 1.00 0.00 C ATOM 894 C GLN D 24 -8.441 2.526 -4.337 1.00 0.00 C ATOM 895 O GLN D 24 -9.654 2.586 -4.161 1.00 0.00 O ATOM 896 CB GLN D 24 -7.986 3.434 -6.629 1.00 0.00 C ATOM 897 CG GLN D 24 -7.803 4.705 -7.475 1.00 0.00 C ATOM 898 CD GLN D 24 -8.628 4.622 -8.762 1.00 0.00 C ATOM 899 OE1 GLN D 24 -8.438 3.725 -9.577 1.00 0.00 O ATOM 900 NE2 GLN D 24 -9.708 5.376 -8.872 1.00 0.00 N ATOM 0 H GLN D 24 -5.739 3.700 -5.596 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.249 4.595 -4.830 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -7.287 2.673 -6.976 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -8.990 3.042 -6.790 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -8.107 5.579 -6.898 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -6.749 4.836 -7.721 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -9.878 6.125 -8.201 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -10.372 5.209 -9.628 1.00 0.00 H new ATOM 909 N TYR D 25 -7.698 1.505 -3.896 1.00 0.00 N ATOM 910 CA TYR D 25 -8.199 0.356 -3.142 1.00 0.00 C ATOM 911 C TYR D 25 -8.941 0.853 -1.901 1.00 0.00 C ATOM 912 O TYR D 25 -10.170 0.826 -1.849 1.00 0.00 O ATOM 913 CB TYR D 25 -7.012 -0.583 -2.828 1.00 0.00 C ATOM 914 CG TYR D 25 -7.284 -1.984 -2.294 1.00 0.00 C ATOM 915 CD1 TYR D 25 -7.920 -2.200 -1.054 1.00 0.00 C ATOM 916 CD2 TYR D 25 -6.767 -3.091 -2.996 1.00 0.00 C ATOM 917 CE1 TYR D 25 -8.063 -3.506 -0.545 1.00 0.00 C ATOM 918 CE2 TYR D 25 -6.920 -4.398 -2.503 1.00 0.00 C ATOM 919 CZ TYR D 25 -7.571 -4.615 -1.270 1.00 0.00 C ATOM 920 OH TYR D 25 -7.681 -5.869 -0.753 1.00 0.00 O ATOM 0 H TYR D 25 -6.693 1.457 -4.062 1.00 0.00 H new ATOM 0 HA TYR D 25 -8.920 -0.224 -3.718 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -6.429 -0.690 -3.743 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.377 -0.075 -2.103 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -8.300 -1.360 -0.491 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -6.245 -2.932 -3.928 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -8.552 -3.661 0.406 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -6.539 -5.236 -3.068 1.00 0.00 H new ATOM 0 HH TYR D 25 -7.294 -6.516 -1.379 1.00 0.00 H new ATOM 930 N LEU D 26 -8.207 1.397 -0.930 1.00 0.00 N ATOM 931 CA LEU D 26 -8.792 1.898 0.306 1.00 0.00 C ATOM 932 C LEU D 26 -9.644 3.139 0.061 1.00 0.00 C ATOM 933 O LEU D 26 -10.675 3.314 0.722 1.00 0.00 O ATOM 934 CB LEU D 26 -7.664 2.189 1.310 1.00 0.00 C ATOM 935 CG LEU D 26 -7.023 0.891 1.841 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.666 1.172 2.479 1.00 0.00 C ATOM 937 CD2 LEU D 26 -7.935 0.230 2.875 1.00 0.00 C ATOM 0 H LEU D 26 -7.194 1.501 -0.981 1.00 0.00 H new ATOM 0 HA LEU D 26 -9.457 1.138 0.717 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.901 2.802 0.832 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -8.060 2.767 2.145 1.00 0.00 H new ATOM 0 HG LEU D 26 -6.884 0.220 0.993 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.236 0.240 2.845 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -5.000 1.612 1.737 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.792 1.865 3.311 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -7.468 -0.685 3.240 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -8.095 0.913 3.709 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -8.893 -0.010 2.414 1.00 0.00 H new ATOM 949 N ASN D 27 -9.236 3.992 -0.884 1.00 0.00 N ATOM 950 CA ASN D 27 -9.926 5.228 -1.234 1.00 0.00 C ATOM 951 C ASN D 27 -11.381 4.960 -1.623 1.00 0.00 C ATOM 952 O ASN D 27 -12.265 5.442 -0.922 1.00 0.00 O ATOM 953 CB ASN D 27 -9.142 5.958 -2.330 1.00 0.00 C ATOM 954 CG ASN D 27 -9.698 7.317 -2.718 1.00 0.00 C ATOM 955 OD1 ASN D 27 -10.867 7.454 -3.058 1.00 0.00 O ATOM 956 ND2 ASN D 27 -8.854 8.330 -2.806 1.00 0.00 N ATOM 0 H ASN D 27 -8.395 3.834 -1.438 1.00 0.00 H new ATOM 0 HA ASN D 27 -9.966 5.881 -0.362 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -8.112 6.085 -1.996 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -9.114 5.326 -3.218 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -9.175 9.232 -3.158 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -7.882 8.210 -2.521 1.00 0.00 H new ATOM 963 N VAL D 28 -11.651 4.153 -2.652 1.00 0.00 N ATOM 964 CA VAL D 28 -13.011 3.848 -3.106 1.00 0.00 C ATOM 965 C VAL D 28 -13.822 3.148 -2.009 1.00 0.00 C ATOM 966 O VAL D 28 -14.974 3.518 -1.763 1.00 0.00 O ATOM 967 CB VAL D 28 -12.941 2.998 -4.399 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.319 2.495 -4.857 1.00 0.00 C ATOM 969 CG2 VAL D 28 -12.313 3.785 -5.563 1.00 0.00 C ATOM 0 H VAL D 28 -10.926 3.689 -3.199 1.00 0.00 H new ATOM 0 HA VAL D 28 -13.530 4.780 -3.329 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.317 2.142 -4.142 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.207 1.906 -5.767 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -14.758 1.875 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -14.970 3.347 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.281 3.156 -6.452 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -12.912 4.672 -5.768 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -11.300 4.085 -5.295 1.00 0.00 H new ATOM 979 N VAL D 29 -13.230 2.184 -1.300 1.00 0.00 N ATOM 980 CA VAL D 29 -13.914 1.441 -0.244 1.00 0.00 C ATOM 981 C VAL D 29 -14.470 2.376 0.842 1.00 0.00 C ATOM 982 O VAL D 29 -15.637 2.256 1.222 1.00 0.00 O ATOM 983 CB VAL D 29 -12.938 0.380 0.320 1.00 0.00 C ATOM 984 CG1 VAL D 29 -13.469 -0.321 1.576 1.00 0.00 C ATOM 985 CG2 VAL D 29 -12.667 -0.717 -0.719 1.00 0.00 C ATOM 0 H VAL D 29 -12.262 1.898 -1.444 1.00 0.00 H new ATOM 0 HA VAL D 29 -14.785 0.931 -0.656 1.00 0.00 H new ATOM 0 HB VAL D 29 -12.032 0.931 0.571 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -12.738 -1.052 1.921 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -13.641 0.417 2.359 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -14.406 -0.827 1.342 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -11.979 -1.452 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -13.604 -1.207 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -12.226 -0.272 -1.611 1.00 0.00 H new ATOM 995 N THR D 30 -13.718 3.404 1.229 1.00 0.00 N ATOM 996 CA THR D 30 -14.100 4.353 2.276 1.00 0.00 C ATOM 997 C THR D 30 -14.489 5.738 1.762 1.00 0.00 C ATOM 998 O THR D 30 -14.631 6.655 2.571 1.00 0.00 O ATOM 999 CB THR D 30 -12.894 4.483 3.221 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.775 5.003 2.522 1.00 0.00 O ATOM 1001 CG2 THR D 30 -12.477 3.158 3.865 1.00 0.00 C ATOM 0 H THR D 30 -12.807 3.606 0.816 1.00 0.00 H new ATOM 0 HA THR D 30 -14.992 3.966 2.769 1.00 0.00 H new ATOM 0 HB THR D 30 -13.214 5.157 4.015 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.381 4.299 1.965 1.00 0.00 H new ATOM 0 HG21 THR D 30 -11.621 3.325 4.519 1.00 0.00 H new ATOM 0 HG22 THR D 30 -13.307 2.760 4.449 1.00 0.00 H new ATOM 0 HG23 THR D 30 -12.206 2.445 3.087 1.00 0.00 H new ATOM 1009 N ARG D 31 -14.671 5.922 0.449 1.00 0.00 N ATOM 1010 CA ARG D 31 -14.970 7.223 -0.169 1.00 0.00 C ATOM 1011 C ARG D 31 -13.943 8.271 0.312 1.00 0.00 C ATOM 1012 O ARG D 31 -14.257 9.451 0.479 1.00 0.00 O ATOM 1013 CB ARG D 31 -16.429 7.648 0.054 1.00 0.00 C ATOM 1014 CG ARG D 31 -16.871 8.605 -1.064 1.00 0.00 C ATOM 1015 CD ARG D 31 -17.894 9.653 -0.614 1.00 0.00 C ATOM 1016 NE ARG D 31 -18.426 10.363 -1.788 1.00 0.00 N ATOM 1017 CZ ARG D 31 -18.500 11.680 -2.008 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -18.151 12.571 -1.086 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -18.933 12.116 -3.183 1.00 0.00 N ATOM 0 H ARG D 31 -14.614 5.160 -0.226 1.00 0.00 H new ATOM 0 HA ARG D 31 -14.869 7.135 -1.251 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.075 6.770 0.069 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -16.531 8.136 1.024 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -15.993 9.115 -1.461 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -17.297 8.022 -1.881 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -18.706 9.172 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -17.427 10.361 0.070 1.00 0.00 H new ATOM 0 HE ARG D 31 -18.787 9.770 -2.535 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -17.814 12.258 -0.176 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -18.220 13.568 -1.288 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -19.205 11.449 -3.906 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -18.994 13.118 -3.364 1.00 0.00 H new ATOM 1033 N HIS D 32 -12.721 7.805 0.584 1.00 0.00 N ATOM 1034 CA HIS D 32 -11.569 8.540 1.071 1.00 0.00 C ATOM 1035 C HIS D 32 -11.845 9.291 2.381 1.00 0.00 C ATOM 1036 O HIS D 32 -11.321 10.382 2.612 1.00 0.00 O ATOM 1037 CB HIS D 32 -11.009 9.418 -0.046 1.00 0.00 C ATOM 1038 CG HIS D 32 -9.553 9.770 0.121 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -9.003 11.019 -0.026 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -8.531 8.896 0.362 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -7.673 10.900 0.109 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -7.336 9.624 0.373 1.00 0.00 N ATOM 0 H HIS D 32 -12.502 6.817 0.455 1.00 0.00 H new ATOM 0 HA HIS D 32 -10.792 7.826 1.345 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -11.141 8.904 -0.998 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -11.591 10.338 -0.097 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -8.628 7.832 0.517 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -6.970 11.715 0.018 1.00 0.00 H new ATOM 0 HE2 HIS D 32 -6.399 9.261 0.546 1.00 0.00 H new ATOM 1050 N ARG D 33 -12.666 8.723 3.273 1.00 0.00 N ATOM 1051 CA ARG D 33 -12.967 9.354 4.561 1.00 0.00 C ATOM 1052 C ARG D 33 -11.700 9.497 5.411 1.00 0.00 C ATOM 1053 O ARG D 33 -11.557 10.482 6.137 1.00 0.00 O ATOM 1054 CB ARG D 33 -14.096 8.594 5.278 1.00 0.00 C ATOM 1055 CG ARG D 33 -15.462 9.103 4.781 1.00 0.00 C ATOM 1056 CD ARG D 33 -16.634 8.401 5.474 1.00 0.00 C ATOM 1057 NE ARG D 33 -16.795 7.010 5.037 1.00 0.00 N ATOM 1058 CZ ARG D 33 -17.480 6.548 3.986 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -18.118 7.357 3.141 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -17.499 5.235 3.800 1.00 0.00 N ATOM 0 H ARG D 33 -13.133 7.828 3.125 1.00 0.00 H new ATOM 0 HA ARG D 33 -13.330 10.367 4.388 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -14.005 7.524 5.089 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -14.015 8.735 6.356 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -15.531 10.177 4.954 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -15.535 8.948 3.704 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -16.480 8.424 6.553 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -17.553 8.951 5.272 1.00 0.00 H new ATOM 0 HE ARG D 33 -16.325 6.307 5.607 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -18.094 8.366 3.285 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -18.630 6.967 2.350 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -17.003 4.621 4.446 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -18.009 4.839 3.011 1.00 0.00 H new ATOM 1074 N TYR D 34 -10.766 8.551 5.300 1.00 0.00 N ATOM 1075 CA TYR D 34 -9.511 8.577 6.040 1.00 0.00 C ATOM 1076 C TYR D 34 -8.631 9.743 5.583 1.00 0.00 C ATOM 1077 O TYR D 34 -8.837 10.347 4.532 1.00 0.00 O ATOM 1078 CB TYR D 34 -8.768 7.242 5.892 1.00 0.00 C ATOM 1079 CG TYR D 34 -8.238 6.897 4.511 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -6.984 7.372 4.073 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -8.978 6.038 3.686 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -6.494 7.031 2.797 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -8.494 5.691 2.416 1.00 0.00 C ATOM 1084 CZ TYR D 34 -7.254 6.185 1.959 1.00 0.00 C ATOM 1085 OH TYR D 34 -6.844 5.875 0.697 1.00 0.00 O ATOM 0 H TYR D 34 -10.864 7.741 4.688 1.00 0.00 H new ATOM 0 HA TYR D 34 -9.742 8.724 7.095 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -7.928 7.243 6.587 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -9.440 6.444 6.206 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -6.394 8.003 4.722 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -9.923 5.643 4.029 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -5.542 7.415 2.461 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -9.076 5.039 1.782 1.00 0.00 H new ATOM 0 HH TYR D 34 -7.205 5.001 0.441 1.00 0.00 H new