USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 407 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: A 16 ASN : amide:sc= -0.26 X(o=-0.47,f=-0.089) USER MOD Set 1.2: A 18 GLN : amide:sc= -0.219 X(o=-0.47,f=-0.72) USER MOD Set 1.3: A 28 SER OG : rot -78:sc= 0.00789 USER MOD Set 2.1: A 20 THR OG1 : rot 81:sc= 0.642 USER MOD Set 2.2: A 21 ASN :FLIP amide:sc= -0.201 F(o=-0.59,f=0.44) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 0.758 (180deg=0.723) USER MOD Single : A 19 GLN : amide:sc= -0.0814 K(o=-0.081,f=-1.8) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= -0.0215 (180deg=-0.212) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0555 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.143 F(o=-0.82,f=-0.14) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -18:sc= 0.399 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -11.501 -4.304 -1.018 1.00 0.00 N ATOM 117 CA LEU A 9 -11.028 -3.090 -0.362 1.00 0.00 C ATOM 118 C LEU A 9 -10.217 -2.236 -1.331 1.00 0.00 C ATOM 119 O LEU A 9 -9.166 -2.655 -1.814 1.00 0.00 O ATOM 120 CB LEU A 9 -10.179 -3.444 0.866 1.00 0.00 C ATOM 121 CG LEU A 9 -9.971 -2.306 1.872 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.607 -2.863 3.239 1.00 0.00 C ATOM 123 CD2 LEU A 9 -8.891 -1.348 1.390 1.00 0.00 C ATOM 0 HA LEU A 9 -11.896 -2.516 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.649 -4.281 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.202 -3.787 0.525 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.907 -1.754 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.463 -2.041 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.411 -3.507 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.686 -3.441 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.761 -0.549 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.952 -1.888 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.186 -0.920 0.432 1.00 0.00 H new ATOM 135 N VAL A 10 -10.712 -1.033 -1.605 1.00 0.00 N ATOM 136 CA VAL A 10 -10.038 -0.118 -2.518 1.00 0.00 C ATOM 137 C VAL A 10 -9.260 0.942 -1.747 1.00 0.00 C ATOM 138 O VAL A 10 -9.738 1.463 -0.740 1.00 0.00 O ATOM 139 CB VAL A 10 -11.042 0.582 -3.456 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.318 1.470 -4.456 1.00 0.00 C ATOM 141 CG2 VAL A 10 -11.907 -0.444 -4.174 1.00 0.00 C ATOM 0 H VAL A 10 -11.578 -0.669 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.349 -0.714 -3.116 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.691 1.214 -2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.046 1.953 -5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.748 2.230 -3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.640 0.864 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.609 0.068 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.273 -1.105 -4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.459 -1.031 -3.440 1.00 0.00 H new ATOM 151 N VAL A 11 -8.058 1.249 -2.220 1.00 0.00 N ATOM 152 CA VAL A 11 -7.216 2.248 -1.575 1.00 0.00 C ATOM 153 C VAL A 11 -6.627 3.209 -2.608 1.00 0.00 C ATOM 154 O VAL A 11 -6.292 2.803 -3.722 1.00 0.00 O ATOM 155 CB VAL A 11 -6.078 1.584 -0.772 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.008 1.027 -1.699 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.479 2.567 0.221 1.00 0.00 C ATOM 0 H VAL A 11 -7.645 0.820 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.845 2.811 -0.885 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.500 0.749 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.218 0.565 -1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.451 0.281 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.587 1.836 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.678 2.080 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.077 3.427 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.252 2.900 0.914 1.00 0.00 H new ATOM 167 N ARG A 12 -6.508 4.481 -2.240 1.00 0.00 N ATOM 168 CA ARG A 12 -5.966 5.490 -3.144 1.00 0.00 C ATOM 169 C ARG A 12 -4.656 6.064 -2.615 1.00 0.00 C ATOM 170 O ARG A 12 -4.560 6.449 -1.450 1.00 0.00 O ATOM 171 CB ARG A 12 -6.977 6.619 -3.350 1.00 0.00 C ATOM 172 CG ARG A 12 -6.530 7.658 -4.363 1.00 0.00 C ATOM 173 CD ARG A 12 -7.569 8.754 -4.532 1.00 0.00 C ATOM 174 NE ARG A 12 -8.868 8.218 -4.929 1.00 0.00 N ATOM 175 CZ ARG A 12 -9.902 8.975 -5.284 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.789 10.297 -5.294 1.00 0.00 N ATOM 177 NH2 ARG A 12 -11.051 8.411 -5.631 1.00 0.00 N ATOM 0 H ARG A 12 -6.779 4.837 -1.323 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.767 5.004 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.925 6.191 -3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.160 7.111 -2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.585 8.097 -4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.348 7.176 -5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.674 9.302 -3.596 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.226 9.467 -5.282 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.989 7.205 -4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.907 10.735 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.584 10.875 -5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.143 7.395 -5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.843 8.993 -5.903 1.00 0.00 H new ATOM 191 N ALA A 13 -3.651 6.118 -3.484 1.00 0.00 N ATOM 192 CA ALA A 13 -2.346 6.651 -3.118 1.00 0.00 C ATOM 193 C ALA A 13 -2.451 8.112 -2.691 1.00 0.00 C ATOM 194 O ALA A 13 -3.106 8.914 -3.356 1.00 0.00 O ATOM 195 CB ALA A 13 -1.377 6.513 -4.280 1.00 0.00 C ATOM 0 H ALA A 13 -3.718 5.797 -4.450 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.970 6.076 -2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.405 6.915 -3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.271 5.460 -4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.759 7.064 -5.139 1.00 0.00 H new ATOM 201 N LYS A 14 -1.801 8.451 -1.582 1.00 0.00 N ATOM 202 CA LYS A 14 -1.820 9.820 -1.076 1.00 0.00 C ATOM 203 C LYS A 14 -0.596 10.591 -1.558 1.00 0.00 C ATOM 204 O LYS A 14 -0.717 11.560 -2.309 1.00 0.00 O ATOM 205 CB LYS A 14 -1.878 9.829 0.454 1.00 0.00 C ATOM 206 CG LYS A 14 -3.135 9.184 1.017 1.00 0.00 C ATOM 207 CD LYS A 14 -3.253 9.397 2.519 1.00 0.00 C ATOM 208 CE LYS A 14 -2.202 8.609 3.284 1.00 0.00 C ATOM 209 NZ LYS A 14 -2.391 8.718 4.757 1.00 0.00 N ATOM 0 H LYS A 14 -1.256 7.799 -1.018 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.714 10.310 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.005 9.307 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.819 10.859 0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.011 9.601 0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.124 8.116 0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.148 10.458 2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.247 9.097 2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.247 7.561 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.210 8.973 3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.574 8.298 5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.475 9.720 5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.257 8.212 5.034 1.00 0.00 H new ATOM 223 N PHE A 15 0.582 10.156 -1.122 1.00 0.00 N ATOM 224 CA PHE A 15 1.830 10.803 -1.511 1.00 0.00 C ATOM 225 C PHE A 15 2.557 9.982 -2.570 1.00 0.00 C ATOM 226 O PHE A 15 2.170 8.851 -2.866 1.00 0.00 O ATOM 227 CB PHE A 15 2.735 10.994 -0.291 1.00 0.00 C ATOM 228 CG PHE A 15 2.006 11.470 0.935 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.305 12.667 0.924 1.00 0.00 C ATOM 230 CD2 PHE A 15 2.025 10.720 2.101 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.633 13.104 2.050 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.356 11.153 3.230 1.00 0.00 C ATOM 233 CZ PHE A 15 0.660 12.346 3.205 1.00 0.00 C ATOM 0 H PHE A 15 0.698 9.357 -0.498 1.00 0.00 H new ATOM 0 HA PHE A 15 1.588 11.779 -1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.229 10.049 -0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.517 11.711 -0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.284 13.265 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.569 9.787 2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.088 14.036 2.027 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.377 10.559 4.132 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.138 12.686 4.087 1.00 0.00 H new ATOM 243 N ASN A 16 3.614 10.557 -3.138 1.00 0.00 N ATOM 244 CA ASN A 16 4.398 9.873 -4.160 1.00 0.00 C ATOM 245 C ASN A 16 5.290 8.806 -3.530 1.00 0.00 C ATOM 246 O ASN A 16 5.884 9.026 -2.476 1.00 0.00 O ATOM 247 CB ASN A 16 5.252 10.878 -4.935 1.00 0.00 C ATOM 248 CG ASN A 16 6.060 10.222 -6.038 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.602 10.110 -7.175 1.00 0.00 O ATOM 250 ND2 ASN A 16 7.269 9.782 -5.706 1.00 0.00 N ATOM 0 H ASN A 16 3.946 11.493 -2.908 1.00 0.00 H new ATOM 0 HA ASN A 16 3.709 9.387 -4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.606 11.642 -5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.928 11.384 -4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.857 9.330 -6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.609 9.896 -4.751 1.00 0.00 H new ATOM 257 N PHE A 17 5.377 7.651 -4.183 1.00 0.00 N ATOM 258 CA PHE A 17 6.195 6.552 -3.681 1.00 0.00 C ATOM 259 C PHE A 17 6.837 5.781 -4.830 1.00 0.00 C ATOM 260 O PHE A 17 6.161 5.396 -5.785 1.00 0.00 O ATOM 261 CB PHE A 17 5.339 5.608 -2.832 1.00 0.00 C ATOM 262 CG PHE A 17 6.138 4.697 -1.942 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.745 3.560 -2.452 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.278 4.980 -0.594 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.476 2.722 -1.633 1.00 0.00 C ATOM 266 CE2 PHE A 17 7.007 4.146 0.231 1.00 0.00 C ATOM 267 CZ PHE A 17 7.608 3.016 -0.289 1.00 0.00 C ATOM 0 H PHE A 17 4.893 7.452 -5.058 1.00 0.00 H new ATOM 0 HA PHE A 17 6.990 6.971 -3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.663 6.201 -2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.719 5.002 -3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.645 3.327 -3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.812 5.863 -0.183 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.944 1.839 -2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.107 4.377 1.281 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.180 2.363 0.354 1.00 0.00 H new ATOM 277 N GLN A 18 8.143 5.557 -4.729 1.00 0.00 N ATOM 278 CA GLN A 18 8.879 4.828 -5.756 1.00 0.00 C ATOM 279 C GLN A 18 9.394 3.497 -5.216 1.00 0.00 C ATOM 280 O GLN A 18 9.730 3.384 -4.037 1.00 0.00 O ATOM 281 CB GLN A 18 10.047 5.670 -6.275 1.00 0.00 C ATOM 282 CG GLN A 18 9.613 6.938 -6.992 1.00 0.00 C ATOM 283 CD GLN A 18 8.809 6.651 -8.246 1.00 0.00 C ATOM 284 OE1 GLN A 18 9.006 5.628 -8.902 1.00 0.00 O ATOM 285 NE2 GLN A 18 7.896 7.554 -8.585 1.00 0.00 N ATOM 0 H GLN A 18 8.715 5.871 -3.945 1.00 0.00 H new ATOM 0 HA GLN A 18 8.195 4.624 -6.580 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.690 5.939 -5.437 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.646 5.065 -6.956 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.017 7.549 -6.314 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.495 7.522 -7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.766 8.388 -8.012 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.325 7.414 -9.418 1.00 0.00 H new ATOM 294 N GLN A 19 9.453 2.492 -6.084 1.00 0.00 N ATOM 295 CA GLN A 19 9.929 1.169 -5.693 1.00 0.00 C ATOM 296 C GLN A 19 11.372 0.954 -6.140 1.00 0.00 C ATOM 297 O GLN A 19 11.988 1.840 -6.733 1.00 0.00 O ATOM 298 CB GLN A 19 9.034 0.082 -6.289 1.00 0.00 C ATOM 299 CG GLN A 19 8.987 0.098 -7.809 1.00 0.00 C ATOM 300 CD GLN A 19 8.152 -1.031 -8.381 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.191 -1.485 -7.760 1.00 0.00 O ATOM 302 NE2 GLN A 19 8.516 -1.491 -9.573 1.00 0.00 N ATOM 0 H GLN A 19 9.177 2.568 -7.063 1.00 0.00 H new ATOM 0 HA GLN A 19 9.890 1.106 -4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.389 -0.893 -5.955 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.023 0.203 -5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.580 1.052 -8.146 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.002 0.028 -8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.320 -1.085 -10.053 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.992 -2.250 -10.009 1.00 0.00 H new ATOM 311 N THR A 20 11.904 -0.229 -5.848 1.00 0.00 N ATOM 312 CA THR A 20 13.274 -0.566 -6.218 1.00 0.00 C ATOM 313 C THR A 20 13.306 -1.776 -7.147 1.00 0.00 C ATOM 314 O THR A 20 14.227 -1.931 -7.950 1.00 0.00 O ATOM 315 CB THR A 20 14.133 -0.865 -4.976 1.00 0.00 C ATOM 316 OG1 THR A 20 13.670 -2.059 -4.336 1.00 0.00 O ATOM 317 CG2 THR A 20 14.082 0.294 -3.992 1.00 0.00 C ATOM 0 H THR A 20 11.406 -0.971 -5.356 1.00 0.00 H new ATOM 0 HA THR A 20 13.687 0.300 -6.735 1.00 0.00 H new ATOM 0 HB THR A 20 15.165 -1.003 -5.300 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.026 -2.841 -4.807 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.696 0.060 -3.122 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.461 1.196 -4.472 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.052 0.457 -3.675 1.00 0.00 H new ATOM 325 N ASN A 21 12.294 -2.630 -7.029 1.00 0.00 N ATOM 326 CA ASN A 21 12.197 -3.827 -7.856 1.00 0.00 C ATOM 327 C ASN A 21 10.738 -4.215 -8.077 1.00 0.00 C ATOM 328 O ASN A 21 9.827 -3.567 -7.559 1.00 0.00 O ATOM 329 CB ASN A 21 12.952 -4.989 -7.206 1.00 0.00 C ATOM 330 CG ASN A 21 14.442 -4.729 -7.114 1.00 0.00 C ATOM 331 OD1 ASN A 21 14.873 -4.134 -6.009 1.00 0.00 O flip ATOM 332 ND2 ASN A 21 15.197 -5.060 -8.029 1.00 0.00 N flip ATOM 0 H ASN A 21 11.527 -2.514 -6.366 1.00 0.00 H new ATOM 0 HA ASN A 21 12.650 -3.607 -8.823 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.554 -5.164 -6.206 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.779 -5.898 -7.781 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.821 -5.515 -8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.198 -4.879 -7.955 1.00 0.00 H new ATOM 339 N GLU A 22 10.524 -5.277 -8.849 1.00 0.00 N ATOM 340 CA GLU A 22 9.178 -5.754 -9.142 1.00 0.00 C ATOM 341 C GLU A 22 8.557 -6.420 -7.919 1.00 0.00 C ATOM 342 O GLU A 22 7.335 -6.496 -7.793 1.00 0.00 O ATOM 343 CB GLU A 22 9.211 -6.738 -10.314 1.00 0.00 C ATOM 344 CG GLU A 22 7.838 -7.238 -10.731 1.00 0.00 C ATOM 345 CD GLU A 22 7.901 -8.242 -11.865 1.00 0.00 C ATOM 346 OE1 GLU A 22 7.888 -7.813 -13.038 1.00 0.00 O ATOM 347 OE2 GLU A 22 7.963 -9.456 -11.580 1.00 0.00 O ATOM 0 H GLU A 22 11.268 -5.824 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 22 8.564 -4.895 -9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.687 -6.256 -11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.832 -7.592 -10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.346 -7.696 -9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.224 -6.390 -11.035 1.00 0.00 H new ATOM 354 N ASP A 23 9.408 -6.902 -7.018 1.00 0.00 N ATOM 355 CA ASP A 23 8.943 -7.561 -5.804 1.00 0.00 C ATOM 356 C ASP A 23 8.091 -6.616 -4.962 1.00 0.00 C ATOM 357 O ASP A 23 7.212 -7.054 -4.220 1.00 0.00 O ATOM 358 CB ASP A 23 10.132 -8.063 -4.984 1.00 0.00 C ATOM 359 CG ASP A 23 9.700 -8.852 -3.763 1.00 0.00 C ATOM 360 OD1 ASP A 23 9.407 -8.223 -2.724 1.00 0.00 O ATOM 361 OD2 ASP A 23 9.654 -10.097 -3.846 1.00 0.00 O ATOM 0 H ASP A 23 10.423 -6.848 -7.107 1.00 0.00 H new ATOM 0 HA ASP A 23 8.327 -8.412 -6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.765 -8.689 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.737 -7.213 -4.669 1.00 0.00 H new ATOM 366 N GLU A 24 8.358 -5.318 -5.082 1.00 0.00 N ATOM 367 CA GLU A 24 7.615 -4.310 -4.334 1.00 0.00 C ATOM 368 C GLU A 24 6.531 -3.684 -5.212 1.00 0.00 C ATOM 369 O GLU A 24 6.219 -4.202 -6.284 1.00 0.00 O ATOM 370 CB GLU A 24 8.569 -3.234 -3.809 1.00 0.00 C ATOM 371 CG GLU A 24 8.127 -2.618 -2.489 1.00 0.00 C ATOM 372 CD GLU A 24 9.147 -1.647 -1.926 1.00 0.00 C ATOM 373 OE1 GLU A 24 10.060 -2.098 -1.203 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.032 -0.435 -2.208 1.00 0.00 O ATOM 0 H GLU A 24 9.084 -4.940 -5.691 1.00 0.00 H new ATOM 0 HA GLU A 24 7.131 -4.791 -3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.560 -3.669 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.660 -2.445 -4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.179 -2.100 -2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.948 -3.412 -1.764 1.00 0.00 H new ATOM 381 N LEU A 25 5.958 -2.572 -4.756 1.00 0.00 N ATOM 382 CA LEU A 25 4.909 -1.894 -5.512 1.00 0.00 C ATOM 383 C LEU A 25 4.931 -0.389 -5.257 1.00 0.00 C ATOM 384 O LEU A 25 4.711 0.066 -4.135 1.00 0.00 O ATOM 385 CB LEU A 25 3.535 -2.469 -5.145 1.00 0.00 C ATOM 386 CG LEU A 25 2.369 -2.006 -6.025 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.266 -3.053 -6.040 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.817 -0.673 -5.536 1.00 0.00 C ATOM 0 H LEU A 25 6.201 -2.124 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 25 5.096 -2.062 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.592 -3.557 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.314 -2.204 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 25 2.744 -1.874 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.446 -2.708 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.659 -3.989 -6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.902 -3.213 -5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.990 -0.365 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.462 -0.780 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.603 0.081 -5.570 1.00 0.00 H new ATOM 400 N SER A 26 5.199 0.377 -6.311 1.00 0.00 N ATOM 401 CA SER A 26 5.237 1.831 -6.210 1.00 0.00 C ATOM 402 C SER A 26 3.887 2.425 -6.598 1.00 0.00 C ATOM 403 O SER A 26 3.039 1.737 -7.165 1.00 0.00 O ATOM 404 CB SER A 26 6.337 2.400 -7.109 1.00 0.00 C ATOM 405 OG SER A 26 6.120 2.052 -8.464 1.00 0.00 O ATOM 0 H SER A 26 5.393 0.014 -7.244 1.00 0.00 H new ATOM 0 HA SER A 26 5.455 2.099 -5.176 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.367 3.485 -7.010 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.307 2.023 -6.785 1.00 0.00 H new ATOM 0 HG SER A 26 6.836 2.429 -9.017 1.00 0.00 H new ATOM 411 N PHE A 27 3.691 3.704 -6.292 1.00 0.00 N ATOM 412 CA PHE A 27 2.437 4.374 -6.614 1.00 0.00 C ATOM 413 C PHE A 27 2.580 5.890 -6.543 1.00 0.00 C ATOM 414 O PHE A 27 3.498 6.410 -5.910 1.00 0.00 O ATOM 415 CB PHE A 27 1.329 3.912 -5.663 1.00 0.00 C ATOM 416 CG PHE A 27 1.693 4.023 -4.208 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.673 5.250 -3.564 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.049 2.896 -3.483 1.00 0.00 C ATOM 419 CE1 PHE A 27 2.003 5.353 -2.226 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.379 2.993 -2.145 1.00 0.00 C ATOM 421 CZ PHE A 27 2.354 4.222 -1.515 1.00 0.00 C ATOM 0 H PHE A 27 4.380 4.293 -5.825 1.00 0.00 H new ATOM 0 HA PHE A 27 2.172 4.106 -7.637 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.433 4.503 -5.850 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.079 2.875 -5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.396 6.137 -4.115 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.069 1.932 -3.969 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.986 6.316 -1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.656 2.108 -1.592 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.608 4.298 -0.468 1.00 0.00 H new ATOM 431 N SER A 28 1.661 6.590 -7.201 1.00 0.00 N ATOM 432 CA SER A 28 1.666 8.048 -7.215 1.00 0.00 C ATOM 433 C SER A 28 0.273 8.591 -6.916 1.00 0.00 C ATOM 434 O SER A 28 -0.730 7.951 -7.230 1.00 0.00 O ATOM 435 CB SER A 28 2.150 8.568 -8.570 1.00 0.00 C ATOM 436 OG SER A 28 3.478 8.148 -8.834 1.00 0.00 O ATOM 0 H SER A 28 0.900 6.168 -7.734 1.00 0.00 H new ATOM 0 HA SER A 28 2.350 8.394 -6.440 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.488 8.209 -9.358 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.100 9.657 -8.584 1.00 0.00 H new ATOM 0 HG SER A 28 4.104 8.703 -8.324 1.00 0.00 H new ATOM 442 N LYS A 29 0.221 9.767 -6.295 1.00 0.00 N ATOM 443 CA LYS A 29 -1.047 10.406 -5.948 1.00 0.00 C ATOM 444 C LYS A 29 -2.040 10.337 -7.106 1.00 0.00 C ATOM 445 O LYS A 29 -1.911 11.068 -8.089 1.00 0.00 O ATOM 446 CB LYS A 29 -0.811 11.865 -5.549 1.00 0.00 C ATOM 447 CG LYS A 29 -2.085 12.613 -5.187 1.00 0.00 C ATOM 448 CD LYS A 29 -1.783 14.017 -4.686 1.00 0.00 C ATOM 449 CE LYS A 29 -3.057 14.784 -4.367 1.00 0.00 C ATOM 450 NZ LYS A 29 -3.892 15.006 -5.581 1.00 0.00 N ATOM 0 H LYS A 29 1.047 10.299 -6.020 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.474 9.865 -5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.129 11.894 -4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.318 12.382 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.736 12.669 -6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.627 12.060 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.159 13.959 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.211 14.558 -5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.635 14.234 -3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.800 15.746 -3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.618 15.722 -5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.289 15.336 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.353 14.114 -5.853 1.00 0.00 H new ATOM 464 N GLY A 30 -3.026 9.453 -6.985 1.00 0.00 N ATOM 465 CA GLY A 30 -4.027 9.312 -8.027 1.00 0.00 C ATOM 466 C GLY A 30 -4.294 7.866 -8.400 1.00 0.00 C ATOM 467 O GLY A 30 -5.447 7.464 -8.563 1.00 0.00 O ATOM 0 H GLY A 30 -3.149 8.833 -6.185 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.957 9.774 -7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.700 9.856 -8.913 1.00 0.00 H new ATOM 471 N ASP A 31 -3.228 7.083 -8.533 1.00 0.00 N ATOM 472 CA ASP A 31 -3.349 5.676 -8.898 1.00 0.00 C ATOM 473 C ASP A 31 -4.212 4.914 -7.894 1.00 0.00 C ATOM 474 O ASP A 31 -3.992 4.991 -6.686 1.00 0.00 O ATOM 475 CB ASP A 31 -1.965 5.032 -8.987 1.00 0.00 C ATOM 476 CG ASP A 31 -1.083 5.697 -10.027 1.00 0.00 C ATOM 477 OD1 ASP A 31 -1.126 5.274 -11.201 1.00 0.00 O ATOM 478 OD2 ASP A 31 -0.349 6.642 -9.665 1.00 0.00 O ATOM 0 H ASP A 31 -2.269 7.400 -8.393 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.835 5.625 -9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.478 5.087 -8.013 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.074 3.975 -9.229 1.00 0.00 H new ATOM 483 N VAL A 32 -5.197 4.181 -8.409 1.00 0.00 N ATOM 484 CA VAL A 32 -6.090 3.394 -7.566 1.00 0.00 C ATOM 485 C VAL A 32 -5.565 1.971 -7.413 1.00 0.00 C ATOM 486 O VAL A 32 -5.438 1.242 -8.396 1.00 0.00 O ATOM 487 CB VAL A 32 -7.516 3.346 -8.147 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.456 2.605 -7.208 1.00 0.00 C ATOM 489 CG2 VAL A 32 -8.028 4.752 -8.425 1.00 0.00 C ATOM 0 H VAL A 32 -5.396 4.117 -9.407 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.125 3.879 -6.591 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.483 2.802 -9.091 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.457 2.583 -7.638 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.099 1.585 -7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.486 3.115 -6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.037 4.698 -8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.044 5.324 -7.497 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.371 5.243 -9.142 1.00 0.00 H new ATOM 499 N ILE A 33 -5.271 1.576 -6.179 1.00 0.00 N ATOM 500 CA ILE A 33 -4.743 0.239 -5.915 1.00 0.00 C ATOM 501 C ILE A 33 -5.805 -0.672 -5.305 1.00 0.00 C ATOM 502 O ILE A 33 -6.537 -0.271 -4.401 1.00 0.00 O ATOM 503 CB ILE A 33 -3.521 0.290 -4.974 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.425 1.172 -5.573 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.987 -1.113 -4.713 1.00 0.00 C ATOM 506 CD1 ILE A 33 -2.583 2.641 -5.244 1.00 0.00 C ATOM 0 H ILE A 33 -5.388 2.157 -5.349 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.435 -0.169 -6.878 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.836 0.721 -4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.456 0.829 -5.211 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.422 1.049 -6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.126 -1.056 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.766 -1.718 -4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.687 -1.570 -5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.771 3.206 -5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.537 3.000 -5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.555 2.777 -4.163 1.00 0.00 H new ATOM 518 N HIS A 34 -5.881 -1.900 -5.812 1.00 0.00 N ATOM 519 CA HIS A 34 -6.846 -2.876 -5.315 1.00 0.00 C ATOM 520 C HIS A 34 -6.216 -3.754 -4.239 1.00 0.00 C ATOM 521 O HIS A 34 -5.393 -4.621 -4.536 1.00 0.00 O ATOM 522 CB HIS A 34 -7.366 -3.745 -6.461 1.00 0.00 C ATOM 523 CG HIS A 34 -8.155 -2.983 -7.479 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.640 -2.601 -8.699 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.431 -2.532 -7.453 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.564 -1.947 -9.378 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.660 -1.892 -8.646 1.00 0.00 N ATOM 0 H HIS A 34 -5.286 -2.242 -6.566 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.684 -2.334 -4.877 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.521 -4.226 -6.954 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.989 -4.539 -6.050 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.137 -2.653 -6.645 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.443 -1.528 -10.366 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.535 -1.446 -8.921 1.00 0.00 H new ATOM 536 N VAL A 35 -6.607 -3.528 -2.990 1.00 0.00 N ATOM 537 CA VAL A 35 -6.074 -4.297 -1.873 1.00 0.00 C ATOM 538 C VAL A 35 -6.667 -5.703 -1.836 1.00 0.00 C ATOM 539 O VAL A 35 -7.878 -5.880 -1.960 1.00 0.00 O ATOM 540 CB VAL A 35 -6.356 -3.603 -0.528 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.534 -4.240 0.582 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.073 -2.111 -0.626 1.00 0.00 C ATOM 0 H VAL A 35 -7.291 -2.819 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.997 -4.363 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.411 -3.732 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.746 -3.737 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.793 -5.295 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.473 -4.144 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.278 -1.638 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.027 -1.956 -0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.711 -1.669 -1.392 1.00 0.00 H new ATOM 552 N THR A 36 -5.806 -6.700 -1.656 1.00 0.00 N ATOM 553 CA THR A 36 -6.247 -8.089 -1.600 1.00 0.00 C ATOM 554 C THR A 36 -6.142 -8.635 -0.179 1.00 0.00 C ATOM 555 O THR A 36 -7.151 -8.972 0.440 1.00 0.00 O ATOM 556 CB THR A 36 -5.424 -8.982 -2.548 1.00 0.00 C ATOM 557 OG1 THR A 36 -4.032 -8.900 -2.220 1.00 0.00 O ATOM 558 CG2 THR A 36 -5.631 -8.566 -3.997 1.00 0.00 C ATOM 0 H THR A 36 -4.800 -6.572 -1.547 1.00 0.00 H new ATOM 0 HA THR A 36 -7.289 -8.106 -1.919 1.00 0.00 H new ATOM 0 HB THR A 36 -5.765 -10.010 -2.426 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.518 -9.472 -2.828 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.040 -9.210 -4.648 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.686 -8.658 -4.255 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.315 -7.531 -4.127 1.00 0.00 H new ATOM 566 N ARG A 37 -4.919 -8.718 0.334 1.00 0.00 N ATOM 567 CA ARG A 37 -4.690 -9.212 1.686 1.00 0.00 C ATOM 568 C ARG A 37 -4.736 -8.061 2.683 1.00 0.00 C ATOM 569 O ARG A 37 -3.961 -7.109 2.579 1.00 0.00 O ATOM 570 CB ARG A 37 -3.340 -9.927 1.778 1.00 0.00 C ATOM 571 CG ARG A 37 -3.106 -10.628 3.107 1.00 0.00 C ATOM 572 CD ARG A 37 -1.778 -11.368 3.114 1.00 0.00 C ATOM 573 NE ARG A 37 -1.544 -12.068 4.375 1.00 0.00 N ATOM 574 CZ ARG A 37 -0.532 -12.909 4.574 1.00 0.00 C ATOM 575 NH1 ARG A 37 0.338 -13.145 3.602 1.00 0.00 N ATOM 576 NH2 ARG A 37 -0.386 -13.511 5.748 1.00 0.00 N ATOM 0 H ARG A 37 -4.072 -8.450 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.479 -9.924 1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.272 -10.660 0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.543 -9.201 1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.121 -9.896 3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.917 -11.330 3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.759 -12.085 2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.968 -10.660 2.938 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.192 -11.903 5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.232 -12.682 2.699 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.113 -13.790 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.050 -13.329 6.500 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.391 -14.155 5.898 1.00 0.00 H new ATOM 590 N VAL A 38 -5.643 -8.150 3.648 1.00 0.00 N ATOM 591 CA VAL A 38 -5.782 -7.106 4.654 1.00 0.00 C ATOM 592 C VAL A 38 -5.284 -7.579 6.016 1.00 0.00 C ATOM 593 O VAL A 38 -5.986 -8.293 6.733 1.00 0.00 O ATOM 594 CB VAL A 38 -7.245 -6.639 4.781 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.355 -5.477 5.757 1.00 0.00 C ATOM 596 CG2 VAL A 38 -7.802 -6.254 3.418 1.00 0.00 C ATOM 0 H VAL A 38 -6.290 -8.931 3.755 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.170 -6.266 4.324 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.838 -7.466 5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.396 -5.162 5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.999 -5.791 6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.749 -4.644 5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.836 -5.927 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.207 -5.443 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.762 -7.116 2.752 1.00 0.00 H new ATOM 650 N TRP A 43 1.636 -3.009 6.743 1.00 0.00 N ATOM 651 CA TRP A 43 1.941 -3.341 5.354 1.00 0.00 C ATOM 652 C TRP A 43 0.806 -4.119 4.696 1.00 0.00 C ATOM 653 O TRP A 43 0.291 -5.082 5.261 1.00 0.00 O ATOM 654 CB TRP A 43 3.230 -4.160 5.279 1.00 0.00 C ATOM 655 CG TRP A 43 4.462 -3.324 5.133 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.340 -2.975 6.118 1.00 0.00 C ATOM 657 CD2 TRP A 43 4.955 -2.735 3.927 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.352 -2.205 5.596 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.137 -2.044 4.252 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.510 -2.727 2.601 1.00 0.00 C ATOM 661 CZ2 TRP A 43 6.881 -1.353 3.299 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.250 -2.039 1.657 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.424 -1.362 2.010 1.00 0.00 C ATOM 0 HA TRP A 43 2.067 -2.402 4.814 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.318 -4.768 6.180 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.165 -4.848 4.436 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.252 -3.262 7.156 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.135 -1.817 6.123 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.607 -3.248 2.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.786 -0.829 3.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.917 -2.023 0.630 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.980 -0.836 1.248 1.00 0.00 H new ATOM 674 N TRP A 44 0.432 -3.695 3.491 1.00 0.00 N ATOM 675 CA TRP A 44 -0.632 -4.351 2.736 1.00 0.00 C ATOM 676 C TRP A 44 -0.138 -4.754 1.346 1.00 0.00 C ATOM 677 O TRP A 44 0.870 -4.241 0.864 1.00 0.00 O ATOM 678 CB TRP A 44 -1.848 -3.427 2.601 1.00 0.00 C ATOM 679 CG TRP A 44 -2.636 -3.255 3.868 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.527 -3.989 5.016 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.669 -2.291 4.108 1.00 0.00 C ATOM 682 NE1 TRP A 44 -3.420 -3.534 5.955 1.00 0.00 N ATOM 683 CE2 TRP A 44 -4.134 -2.493 5.421 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.243 -1.273 3.341 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -5.145 -1.717 5.982 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.248 -0.504 3.898 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.689 -0.729 5.209 1.00 0.00 C ATOM 0 H TRP A 44 0.852 -2.897 3.015 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.926 -5.248 3.282 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.510 -2.448 2.261 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.507 -3.823 1.828 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.838 -4.808 5.163 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.533 -3.910 6.897 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.907 -1.090 2.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.487 -1.889 6.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.701 0.283 3.313 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.474 -0.110 5.617 1.00 0.00 H new ATOM 698 N GLU A 45 -0.854 -5.678 0.714 1.00 0.00 N ATOM 699 CA GLU A 45 -0.501 -6.148 -0.623 1.00 0.00 C ATOM 700 C GLU A 45 -1.672 -5.960 -1.582 1.00 0.00 C ATOM 701 O GLU A 45 -2.831 -6.121 -1.201 1.00 0.00 O ATOM 702 CB GLU A 45 -0.092 -7.623 -0.588 1.00 0.00 C ATOM 703 CG GLU A 45 0.265 -8.193 -1.953 1.00 0.00 C ATOM 704 CD GLU A 45 0.657 -9.657 -1.887 1.00 0.00 C ATOM 705 OE1 GLU A 45 1.854 -9.942 -1.676 1.00 0.00 O ATOM 706 OE2 GLU A 45 -0.234 -10.517 -2.044 1.00 0.00 O ATOM 0 H GLU A 45 -1.686 -6.118 1.107 1.00 0.00 H new ATOM 0 HA GLU A 45 0.345 -5.558 -0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.763 -7.738 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.908 -8.207 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.586 -8.078 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.088 -7.619 -2.379 1.00 0.00 H new ATOM 713 N GLY A 46 -1.360 -5.618 -2.827 1.00 0.00 N ATOM 714 CA GLY A 46 -2.396 -5.412 -3.819 1.00 0.00 C ATOM 715 C GLY A 46 -1.860 -5.458 -5.234 1.00 0.00 C ATOM 716 O GLY A 46 -0.684 -5.754 -5.449 1.00 0.00 O ATOM 0 H GLY A 46 -0.408 -5.480 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.165 -6.175 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.874 -4.448 -3.646 1.00 0.00 H new ATOM 720 N THR A 47 -2.722 -5.166 -6.200 1.00 0.00 N ATOM 721 CA THR A 47 -2.329 -5.175 -7.601 1.00 0.00 C ATOM 722 C THR A 47 -2.606 -3.826 -8.254 1.00 0.00 C ATOM 723 O THR A 47 -3.535 -3.116 -7.869 1.00 0.00 O ATOM 724 CB THR A 47 -3.062 -6.278 -8.390 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.844 -7.552 -7.771 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.582 -6.326 -9.833 1.00 0.00 C ATOM 0 H THR A 47 -3.698 -4.920 -6.037 1.00 0.00 H new ATOM 0 HA THR A 47 -1.258 -5.378 -7.627 1.00 0.00 H new ATOM 0 HB THR A 47 -4.127 -6.046 -8.385 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.314 -8.247 -8.278 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.115 -7.112 -10.368 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.775 -5.366 -10.313 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.512 -6.534 -9.854 1.00 0.00 H new ATOM 734 N LEU A 48 -1.791 -3.484 -9.244 1.00 0.00 N ATOM 735 CA LEU A 48 -1.938 -2.226 -9.963 1.00 0.00 C ATOM 736 C LEU A 48 -1.492 -2.395 -11.411 1.00 0.00 C ATOM 737 O LEU A 48 -0.806 -3.359 -11.748 1.00 0.00 O ATOM 738 CB LEU A 48 -1.129 -1.118 -9.281 1.00 0.00 C ATOM 739 CG LEU A 48 -1.362 0.295 -9.831 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.830 0.678 -9.728 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.501 1.307 -9.092 1.00 0.00 C ATOM 0 H LEU A 48 -1.017 -4.064 -9.568 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.989 -1.939 -9.950 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.366 -1.120 -8.217 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.069 -1.356 -9.372 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.077 0.299 -10.883 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.972 1.684 -10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.431 -0.027 -10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.140 0.652 -8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.681 2.303 -9.497 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.755 1.295 -8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.551 1.050 -9.216 1.00 0.00 H new ATOM 753 N ASN A 49 -1.896 -1.457 -12.261 1.00 0.00 N ATOM 754 CA ASN A 49 -1.553 -1.497 -13.678 1.00 0.00 C ATOM 755 C ASN A 49 -0.061 -1.745 -13.895 1.00 0.00 C ATOM 756 O ASN A 49 0.748 -0.819 -13.831 1.00 0.00 O ATOM 757 CB ASN A 49 -1.963 -0.187 -14.354 1.00 0.00 C ATOM 758 CG ASN A 49 -3.405 0.190 -14.068 1.00 0.00 C ATOM 759 OD1 ASN A 49 -4.262 -0.812 -13.904 1.00 0.00 O flip ATOM 760 ND2 ASN A 49 -3.746 1.371 -13.996 1.00 0.00 N flip ATOM 0 H ASN A 49 -2.465 -0.655 -11.991 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.098 -2.328 -14.125 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.307 0.614 -14.013 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.822 -0.278 -15.431 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.056 2.110 -14.128 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.719 1.610 -13.804 1.00 0.00 H new ATOM 767 N GLY A 50 0.296 -3.003 -14.148 1.00 0.00 N ATOM 768 CA GLY A 50 1.686 -3.353 -14.387 1.00 0.00 C ATOM 769 C GLY A 50 2.523 -3.403 -13.122 1.00 0.00 C ATOM 770 O GLY A 50 3.660 -3.874 -13.147 1.00 0.00 O ATOM 0 H GLY A 50 -0.355 -3.787 -14.192 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.728 -4.324 -14.880 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.122 -2.628 -15.074 1.00 0.00 H new ATOM 774 N ARG A 51 1.967 -2.920 -12.016 1.00 0.00 N ATOM 775 CA ARG A 51 2.685 -2.914 -10.745 1.00 0.00 C ATOM 776 C ARG A 51 2.033 -3.850 -9.735 1.00 0.00 C ATOM 777 O ARG A 51 0.851 -3.715 -9.423 1.00 0.00 O ATOM 778 CB ARG A 51 2.743 -1.496 -10.176 1.00 0.00 C ATOM 779 CG ARG A 51 3.478 -0.513 -11.071 1.00 0.00 C ATOM 780 CD ARG A 51 3.448 0.894 -10.494 1.00 0.00 C ATOM 781 NE ARG A 51 4.158 1.848 -11.343 1.00 0.00 N ATOM 782 CZ ARG A 51 4.065 3.168 -11.207 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.295 3.690 -10.260 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.742 3.967 -12.020 1.00 0.00 N ATOM 0 H ARG A 51 1.026 -2.529 -11.973 1.00 0.00 H new ATOM 0 HA ARG A 51 3.698 -3.269 -10.934 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.727 -1.137 -10.013 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.232 -1.524 -9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.512 -0.835 -11.195 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.024 -0.511 -12.062 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.413 1.215 -10.374 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.897 0.888 -9.501 1.00 0.00 H new ATOM 0 HE ARG A 51 4.759 1.481 -12.081 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.772 3.078 -9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.226 4.703 -10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.334 3.570 -12.749 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.671 4.979 -11.916 1.00 0.00 H new ATOM 798 N THR A 52 2.814 -4.794 -9.222 1.00 0.00 N ATOM 799 CA THR A 52 2.317 -5.750 -8.241 1.00 0.00 C ATOM 800 C THR A 52 3.313 -5.930 -7.103 1.00 0.00 C ATOM 801 O THR A 52 4.511 -6.098 -7.334 1.00 0.00 O ATOM 802 CB THR A 52 2.032 -7.124 -8.880 1.00 0.00 C ATOM 803 OG1 THR A 52 1.127 -6.974 -9.980 1.00 0.00 O ATOM 804 CG2 THR A 52 1.440 -8.084 -7.858 1.00 0.00 C ATOM 0 H THR A 52 3.796 -4.917 -9.470 1.00 0.00 H new ATOM 0 HA THR A 52 1.385 -5.344 -7.849 1.00 0.00 H new ATOM 0 HB THR A 52 2.975 -7.536 -9.239 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.952 -7.851 -10.382 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.247 -9.047 -8.332 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.143 -8.219 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.505 -7.675 -7.474 1.00 0.00 H new ATOM 812 N GLY A 53 2.811 -5.894 -5.873 1.00 0.00 N ATOM 813 CA GLY A 53 3.671 -6.054 -4.716 1.00 0.00 C ATOM 814 C GLY A 53 3.098 -5.409 -3.470 1.00 0.00 C ATOM 815 O GLY A 53 1.930 -5.021 -3.444 1.00 0.00 O ATOM 0 H GLY A 53 1.824 -5.757 -5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.830 -7.116 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.647 -5.618 -4.930 1.00 0.00 H new ATOM 819 N TRP A 54 3.923 -5.296 -2.433 1.00 0.00 N ATOM 820 CA TRP A 54 3.494 -4.696 -1.176 1.00 0.00 C ATOM 821 C TRP A 54 3.558 -3.171 -1.243 1.00 0.00 C ATOM 822 O TRP A 54 4.312 -2.604 -2.036 1.00 0.00 O ATOM 823 CB TRP A 54 4.365 -5.200 -0.022 1.00 0.00 C ATOM 824 CG TRP A 54 4.315 -6.687 0.158 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.088 -7.616 -0.477 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.448 -7.417 1.034 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.753 -8.879 -0.052 1.00 0.00 N ATOM 828 CE2 TRP A 54 3.749 -8.784 0.875 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.446 -7.048 1.937 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.085 -9.780 1.586 1.00 0.00 C ATOM 831 CZ3 TRP A 54 1.788 -8.039 2.641 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.110 -9.391 2.463 1.00 0.00 C ATOM 0 H TRP A 54 4.893 -5.613 -2.440 1.00 0.00 H new ATOM 0 HA TRP A 54 2.459 -4.990 -1.001 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.397 -4.897 -0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.044 -4.719 0.902 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.852 -7.391 -1.207 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.182 -9.746 -0.374 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.191 -6.009 2.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.331 -10.823 1.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.012 -7.766 3.341 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.578 -10.141 3.029 1.00 0.00 H new ATOM 843 N PHE A 55 2.759 -2.518 -0.406 1.00 0.00 N ATOM 844 CA PHE A 55 2.721 -1.061 -0.351 1.00 0.00 C ATOM 845 C PHE A 55 2.352 -0.591 1.056 1.00 0.00 C ATOM 846 O PHE A 55 1.507 -1.200 1.714 1.00 0.00 O ATOM 847 CB PHE A 55 1.727 -0.504 -1.374 1.00 0.00 C ATOM 848 CG PHE A 55 0.311 -0.965 -1.170 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.128 -2.160 -1.717 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.584 -0.198 -0.440 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.431 -2.583 -1.537 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.888 -0.617 -0.256 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.312 -1.811 -0.807 1.00 0.00 C ATOM 0 H PHE A 55 2.125 -2.978 0.247 1.00 0.00 H new ATOM 0 HA PHE A 55 3.714 -0.685 -0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.752 0.585 -1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.051 -0.793 -2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.556 -2.768 -2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.258 0.738 -0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.760 -3.517 -1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.575 -0.012 0.318 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.331 -2.140 -0.667 1.00 0.00 H new ATOM 863 N PRO A 56 2.984 0.494 1.543 1.00 0.00 N ATOM 864 CA PRO A 56 2.713 1.028 2.883 1.00 0.00 C ATOM 865 C PRO A 56 1.248 1.400 3.070 1.00 0.00 C ATOM 866 O PRO A 56 0.533 1.643 2.099 1.00 0.00 O ATOM 867 CB PRO A 56 3.599 2.278 2.971 1.00 0.00 C ATOM 868 CG PRO A 56 3.963 2.602 1.563 1.00 0.00 C ATOM 869 CD PRO A 56 4.001 1.291 0.836 1.00 0.00 C ATOM 0 HA PRO A 56 2.925 0.292 3.659 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.066 3.105 3.440 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.488 2.089 3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.232 3.276 1.116 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.930 3.103 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.760 1.408 -0.221 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.986 0.828 0.889 1.00 0.00 H new ATOM 877 N SER A 57 0.808 1.442 4.324 1.00 0.00 N ATOM 878 CA SER A 57 -0.574 1.781 4.640 1.00 0.00 C ATOM 879 C SER A 57 -0.681 3.210 5.165 1.00 0.00 C ATOM 880 O SER A 57 -1.779 3.747 5.310 1.00 0.00 O ATOM 881 CB SER A 57 -1.138 0.801 5.670 1.00 0.00 C ATOM 882 OG SER A 57 -2.487 1.105 5.981 1.00 0.00 O ATOM 0 H SER A 57 1.390 1.245 5.138 1.00 0.00 H new ATOM 0 HA SER A 57 -1.158 1.709 3.722 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.071 -0.216 5.283 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.536 0.837 6.578 1.00 0.00 H new ATOM 0 HG SER A 57 -2.688 2.023 5.702 1.00 0.00 H new ATOM 888 N ASN A 58 0.467 3.821 5.444 1.00 0.00 N ATOM 889 CA ASN A 58 0.501 5.188 5.955 1.00 0.00 C ATOM 890 C ASN A 58 0.487 6.203 4.817 1.00 0.00 C ATOM 891 O ASN A 58 0.080 7.348 5.004 1.00 0.00 O ATOM 892 CB ASN A 58 1.740 5.399 6.827 1.00 0.00 C ATOM 893 CG ASN A 58 1.712 4.555 8.085 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.646 4.253 8.620 1.00 0.00 O ATOM 895 ND2 ASN A 58 2.889 4.169 8.564 1.00 0.00 N ATOM 0 H ASN A 58 1.385 3.392 5.325 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.393 5.341 6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.632 5.157 6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.813 6.452 7.101 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.934 3.599 9.408 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.748 4.443 8.087 1.00 0.00 H new ATOM 902 N TYR A 59 0.940 5.780 3.642 1.00 0.00 N ATOM 903 CA TYR A 59 0.972 6.658 2.477 1.00 0.00 C ATOM 904 C TYR A 59 -0.267 6.463 1.609 1.00 0.00 C ATOM 905 O TYR A 59 -0.432 7.131 0.590 1.00 0.00 O ATOM 906 CB TYR A 59 2.237 6.410 1.653 1.00 0.00 C ATOM 907 CG TYR A 59 3.434 7.214 2.114 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.779 7.280 3.460 1.00 0.00 C ATOM 909 CD2 TYR A 59 4.222 7.905 1.202 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.870 8.015 3.881 1.00 0.00 C ATOM 911 CE2 TYR A 59 5.315 8.642 1.617 1.00 0.00 C ATOM 912 CZ TYR A 59 5.635 8.692 2.956 1.00 0.00 C ATOM 913 OH TYR A 59 6.722 9.425 3.373 1.00 0.00 O ATOM 0 H TYR A 59 1.289 4.837 3.471 1.00 0.00 H new ATOM 0 HA TYR A 59 0.981 7.688 2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.485 5.349 1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.032 6.647 0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.184 6.748 4.188 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.976 7.866 0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.122 8.059 4.930 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.915 9.176 0.895 1.00 0.00 H new ATOM 0 HH TYR A 59 7.154 9.840 2.597 1.00 0.00 H new ATOM 923 N VAL A 60 -1.133 5.542 2.018 1.00 0.00 N ATOM 924 CA VAL A 60 -2.359 5.265 1.280 1.00 0.00 C ATOM 925 C VAL A 60 -3.573 5.298 2.207 1.00 0.00 C ATOM 926 O VAL A 60 -3.454 5.053 3.407 1.00 0.00 O ATOM 927 CB VAL A 60 -2.293 3.898 0.571 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.135 3.865 -0.416 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.170 2.770 1.584 1.00 0.00 C ATOM 0 H VAL A 60 -1.008 4.975 2.857 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.462 6.045 0.526 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.221 3.754 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.103 2.893 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.272 4.646 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.199 4.033 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.125 1.815 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.262 2.906 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.035 2.780 2.247 1.00 0.00 H new ATOM 939 N ARG A 61 -4.738 5.601 1.641 1.00 0.00 N ATOM 940 CA ARG A 61 -5.973 5.670 2.418 1.00 0.00 C ATOM 941 C ARG A 61 -7.131 5.037 1.655 1.00 0.00 C ATOM 942 O ARG A 61 -7.264 5.221 0.446 1.00 0.00 O ATOM 943 CB ARG A 61 -6.306 7.125 2.756 1.00 0.00 C ATOM 944 CG ARG A 61 -6.501 8.003 1.530 1.00 0.00 C ATOM 945 CD ARG A 61 -6.787 9.446 1.913 1.00 0.00 C ATOM 946 NE ARG A 61 -6.909 10.310 0.742 1.00 0.00 N ATOM 947 CZ ARG A 61 -6.651 11.614 0.759 1.00 0.00 C ATOM 948 NH1 ARG A 61 -6.248 12.200 1.878 1.00 0.00 N ATOM 949 NH2 ARG A 61 -6.792 12.333 -0.346 1.00 0.00 N ATOM 0 H ARG A 61 -4.853 5.803 0.648 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.823 5.113 3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.213 7.151 3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.505 7.540 3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.608 7.962 0.907 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.325 7.615 0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.708 9.491 2.494 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.987 9.816 2.555 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.209 9.890 -0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.135 11.650 2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.051 13.201 1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.099 11.886 -1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.594 13.333 -0.332 1.00 0.00 H new ATOM 963 N GLU A 62 -7.965 4.292 2.372 1.00 0.00 N ATOM 964 CA GLU A 62 -9.114 3.623 1.767 1.00 0.00 C ATOM 965 C GLU A 62 -9.972 4.608 0.978 1.00 0.00 C ATOM 966 O GLU A 62 -10.120 5.768 1.363 1.00 0.00 O ATOM 967 CB GLU A 62 -9.956 2.945 2.849 1.00 0.00 C ATOM 968 CG GLU A 62 -11.129 2.148 2.300 1.00 0.00 C ATOM 969 CD GLU A 62 -11.860 1.373 3.379 1.00 0.00 C ATOM 970 OE1 GLU A 62 -12.753 1.959 4.028 1.00 0.00 O ATOM 971 OE2 GLU A 62 -11.541 0.182 3.574 1.00 0.00 O ATOM 0 H GLU A 62 -7.868 4.135 3.375 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.741 2.868 1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.317 2.281 3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.333 3.705 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.827 2.826 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.769 1.455 1.540 1.00 0.00 H new ATOM 978 N VAL A 63 -10.538 4.133 -0.128 1.00 0.00 N ATOM 979 CA VAL A 63 -11.380 4.965 -0.978 1.00 0.00 C ATOM 980 C VAL A 63 -12.857 4.754 -0.667 1.00 0.00 C ATOM 981 O VAL A 63 -13.376 3.645 -0.800 1.00 0.00 O ATOM 982 CB VAL A 63 -11.144 4.663 -2.471 1.00 0.00 C ATOM 983 CG1 VAL A 63 -11.816 5.715 -3.341 1.00 0.00 C ATOM 984 CG2 VAL A 63 -9.656 4.577 -2.772 1.00 0.00 C ATOM 0 H VAL A 63 -10.428 3.174 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.108 6.000 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.591 3.696 -2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.639 5.486 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -12.888 5.717 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.403 6.697 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.511 4.363 -3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.179 5.526 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.210 3.781 -2.177 1.00 0.00 H new