USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 579 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: B 23 THR OG1 : rot 180:sc= -0.854 USER MOD Set 1.2: B 25 SER OG : rot 180:sc= -0.163 USER MOD Set 1.3: B 26 GLN : amide:sc= -15! C(o=-16!,f=-8.1!) USER MOD Set 2.1: A 23 THR OG1 : rot 121:sc= -3.78! USER MOD Set 2.2: A 26 GLN : amide:sc= -2.47! K(o=-6.2!,f=-3.8) USER MOD Single : A 6 THR OG1 : rot 27:sc= 0.0514 USER MOD Single : A 8 THR OG1 : rot -60:sc= 0.876 USER MOD Single : A 15 GLN : amide:sc= -4.37! C(o=-4.4!,f=-3.7!) USER MOD Single : A 16 ASN : amide:sc= -1.02 X(o=-1,f=-1.3!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.294 K(o=-0.29,f=-1.4) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -2:sc= 0.23 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -26.8! C(o=-27!,f=-16!) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 GLN : amide:sc= -8.46! C(o=-8.5!,f=-2.5!) USER MOD Single : B 16 ASN : amide:sc= -21.3! C(o=-21!,f=-5.5!) USER MOD Single : B 29 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 30 LYS NZ :NH3+ -164:sc= -9.9! (180deg=-12.5!) USER MOD Single : B 37 THR OG1 : rot -26:sc= -1.93 USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N THR A 6 10.711 -6.392 0.447 1.00 0.00 N ATOM 75 CA THR A 6 10.669 -5.302 1.412 1.00 0.00 C ATOM 76 C THR A 6 9.352 -4.542 1.313 1.00 0.00 C ATOM 77 O THR A 6 8.617 -4.681 0.335 1.00 0.00 O ATOM 78 CB THR A 6 11.837 -4.319 1.203 1.00 0.00 C ATOM 79 OG1 THR A 6 13.086 -5.002 1.362 1.00 0.00 O ATOM 80 CG2 THR A 6 11.756 -3.165 2.191 1.00 0.00 C ATOM 0 HA THR A 6 10.758 -5.748 2.403 1.00 0.00 H new ATOM 0 HB THR A 6 11.769 -3.917 0.192 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.972 -5.949 1.136 1.00 0.00 H new ATOM 0 HG21 THR A 6 12.591 -2.484 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.817 -2.630 2.049 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.802 -3.553 3.208 1.00 0.00 H new ATOM 88 N CYS A 7 9.063 -3.736 2.331 1.00 0.00 N ATOM 89 CA CYS A 7 7.841 -2.942 2.355 1.00 0.00 C ATOM 90 C CYS A 7 8.147 -1.485 2.686 1.00 0.00 C ATOM 91 O CYS A 7 7.372 -0.588 2.356 1.00 0.00 O ATOM 92 CB CYS A 7 6.856 -3.513 3.378 1.00 0.00 C ATOM 93 SG CYS A 7 6.299 -5.208 3.010 1.00 0.00 S ATOM 0 H CYS A 7 9.659 -3.616 3.150 1.00 0.00 H new ATOM 0 HA CYS A 7 7.390 -2.985 1.364 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.324 -3.502 4.362 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.985 -2.860 3.432 1.00 0.00 H new ATOM 98 N THR A 8 9.283 -1.259 3.336 1.00 0.00 N ATOM 99 CA THR A 8 9.696 0.090 3.704 1.00 0.00 C ATOM 100 C THR A 8 10.192 0.862 2.487 1.00 0.00 C ATOM 101 O THR A 8 11.281 1.437 2.505 1.00 0.00 O ATOM 102 CB THR A 8 10.807 0.067 4.770 1.00 0.00 C ATOM 103 OG1 THR A 8 11.190 1.405 5.109 1.00 0.00 O ATOM 104 CG2 THR A 8 12.021 -0.701 4.270 1.00 0.00 C ATOM 0 H THR A 8 9.934 -1.992 3.619 1.00 0.00 H new ATOM 0 HA THR A 8 8.819 0.588 4.116 1.00 0.00 H new ATOM 0 HB THR A 8 10.418 -0.435 5.656 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.519 1.864 4.308 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.792 -0.704 5.040 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.733 -1.727 4.041 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.408 -0.223 3.370 1.00 0.00 H new ATOM 112 N VAL A 9 9.385 0.873 1.431 1.00 0.00 N ATOM 113 CA VAL A 9 9.743 1.575 0.204 1.00 0.00 C ATOM 114 C VAL A 9 9.250 3.016 0.233 1.00 0.00 C ATOM 115 O VAL A 9 8.596 3.441 1.185 1.00 0.00 O ATOM 116 CB VAL A 9 9.159 0.873 -1.036 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.543 1.620 -2.304 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.623 -0.574 -1.100 1.00 0.00 C ATOM 0 H VAL A 9 8.480 0.404 1.400 1.00 0.00 H new ATOM 0 HA VAL A 9 10.831 1.565 0.141 1.00 0.00 H new ATOM 0 HB VAL A 9 8.072 0.878 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.121 1.109 -3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.155 2.637 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.629 1.650 -2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.200 -1.053 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.711 -0.605 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.291 -1.102 -0.206 1.00 0.00 H new ATOM 128 N ALA A 10 9.563 3.762 -0.821 1.00 0.00 N ATOM 129 CA ALA A 10 9.132 5.150 -0.928 1.00 0.00 C ATOM 130 C ALA A 10 7.656 5.235 -1.297 1.00 0.00 C ATOM 131 O ALA A 10 7.195 4.557 -2.214 1.00 0.00 O ATOM 132 CB ALA A 10 9.979 5.888 -1.954 1.00 0.00 C ATOM 0 H ALA A 10 10.113 3.429 -1.613 1.00 0.00 H new ATOM 0 HA ALA A 10 9.266 5.625 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.646 6.924 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.025 5.863 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.874 5.407 -2.926 1.00 0.00 H new ATOM 138 N PRO A 11 6.893 6.069 -0.573 1.00 0.00 N ATOM 139 CA PRO A 11 5.457 6.232 -0.806 1.00 0.00 C ATOM 140 C PRO A 11 5.124 6.413 -2.284 1.00 0.00 C ATOM 141 O PRO A 11 4.613 5.500 -2.932 1.00 0.00 O ATOM 142 CB PRO A 11 5.120 7.499 -0.021 1.00 0.00 C ATOM 143 CG PRO A 11 6.116 7.528 1.086 1.00 0.00 C ATOM 144 CD PRO A 11 7.376 6.914 0.534 1.00 0.00 C ATOM 0 HA PRO A 11 4.889 5.355 -0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.198 8.387 -0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.100 7.468 0.363 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.295 8.549 1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.756 6.968 1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.073 7.675 0.183 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.900 6.326 1.288 1.00 0.00 H new ATOM 152 N ARG A 12 5.414 7.599 -2.810 1.00 0.00 N ATOM 153 CA ARG A 12 5.140 7.901 -4.210 1.00 0.00 C ATOM 154 C ARG A 12 5.745 6.841 -5.126 1.00 0.00 C ATOM 155 O ARG A 12 5.217 6.564 -6.203 1.00 0.00 O ATOM 156 CB ARG A 12 5.690 9.281 -4.573 1.00 0.00 C ATOM 157 CG ARG A 12 5.081 10.412 -3.760 1.00 0.00 C ATOM 158 CD ARG A 12 3.574 10.484 -3.949 1.00 0.00 C ATOM 159 NE ARG A 12 2.975 11.565 -3.170 1.00 0.00 N ATOM 160 CZ ARG A 12 1.673 11.832 -3.163 1.00 0.00 C ATOM 161 NH1 ARG A 12 0.839 11.099 -3.889 1.00 0.00 N ATOM 162 NH2 ARG A 12 1.203 12.831 -2.430 1.00 0.00 N ATOM 0 H ARG A 12 5.838 8.366 -2.288 1.00 0.00 H new ATOM 0 HA ARG A 12 4.059 7.900 -4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.770 9.282 -4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.510 9.468 -5.632 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.310 10.267 -2.704 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.532 11.359 -4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.348 10.630 -5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.126 9.535 -3.655 1.00 0.00 H new ATOM 0 HE ARG A 12 3.590 12.147 -2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.197 10.329 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.160 11.306 -3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.841 13.397 -1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.203 13.034 -2.426 1.00 0.00 H new ATOM 176 N GLU A 13 6.855 6.254 -4.691 1.00 0.00 N ATOM 177 CA GLU A 13 7.533 5.229 -5.475 1.00 0.00 C ATOM 178 C GLU A 13 6.999 3.841 -5.136 1.00 0.00 C ATOM 179 O GLU A 13 7.747 2.863 -5.124 1.00 0.00 O ATOM 180 CB GLU A 13 9.041 5.281 -5.227 1.00 0.00 C ATOM 181 CG GLU A 13 9.674 6.611 -5.603 1.00 0.00 C ATOM 182 CD GLU A 13 9.092 7.775 -4.825 1.00 0.00 C ATOM 183 OE1 GLU A 13 9.624 8.089 -3.740 1.00 0.00 O ATOM 184 OE2 GLU A 13 8.105 8.372 -5.302 1.00 0.00 O ATOM 0 H GLU A 13 7.303 6.470 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 13 7.338 5.426 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.235 5.081 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.522 4.485 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.748 6.561 -5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.535 6.786 -6.670 1.00 0.00 H new ATOM 191 N ARG A 14 5.700 3.760 -4.864 1.00 0.00 N ATOM 192 CA ARG A 14 5.067 2.490 -4.533 1.00 0.00 C ATOM 193 C ARG A 14 4.184 2.006 -5.677 1.00 0.00 C ATOM 194 O ARG A 14 3.283 2.717 -6.123 1.00 0.00 O ATOM 195 CB ARG A 14 4.237 2.628 -3.254 1.00 0.00 C ATOM 196 CG ARG A 14 5.057 3.030 -2.040 1.00 0.00 C ATOM 197 CD ARG A 14 4.191 3.141 -0.794 1.00 0.00 C ATOM 198 NE ARG A 14 4.974 3.500 0.385 1.00 0.00 N ATOM 199 CZ ARG A 14 4.435 3.829 1.555 1.00 0.00 C ATOM 200 NH1 ARG A 14 3.118 3.843 1.699 1.00 0.00 N ATOM 201 NH2 ARG A 14 5.215 4.142 2.580 1.00 0.00 N ATOM 0 H ARG A 14 5.066 4.559 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 14 5.853 1.753 -4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.455 3.370 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.740 1.680 -3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.845 2.296 -1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.547 3.985 -2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.416 3.890 -0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.685 2.192 -0.618 1.00 0.00 H new ATOM 0 HE ARG A 14 5.991 3.498 0.307 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.516 3.601 0.912 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.706 4.096 2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.229 4.131 2.471 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.801 4.394 3.477 1.00 0.00 H new ATOM 215 N GLN A 15 4.451 0.793 -6.151 1.00 0.00 N ATOM 216 CA GLN A 15 3.685 0.216 -7.249 1.00 0.00 C ATOM 217 C GLN A 15 2.360 -0.351 -6.750 1.00 0.00 C ATOM 218 O GLN A 15 2.286 -1.507 -6.331 1.00 0.00 O ATOM 219 CB GLN A 15 4.494 -0.882 -7.942 1.00 0.00 C ATOM 220 CG GLN A 15 5.804 -0.390 -8.533 1.00 0.00 C ATOM 221 CD GLN A 15 6.729 0.203 -7.488 1.00 0.00 C ATOM 222 OE1 GLN A 15 7.544 -0.501 -6.892 1.00 0.00 O ATOM 223 NE2 GLN A 15 6.606 1.506 -7.261 1.00 0.00 N ATOM 0 H GLN A 15 5.192 0.191 -5.792 1.00 0.00 H new ATOM 0 HA GLN A 15 3.473 1.009 -7.966 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.704 -1.675 -7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.889 -1.322 -8.735 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.308 -1.219 -9.030 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.595 0.360 -9.296 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.917 2.051 -7.779 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.201 1.962 -6.569 1.00 0.00 H new ATOM 232 N ASN A 16 1.315 0.469 -6.800 1.00 0.00 N ATOM 233 CA ASN A 16 -0.009 0.048 -6.359 1.00 0.00 C ATOM 234 C ASN A 16 -0.206 -1.449 -6.575 1.00 0.00 C ATOM 235 O ASN A 16 0.368 -2.035 -7.493 1.00 0.00 O ATOM 236 CB ASN A 16 -1.091 0.829 -7.107 1.00 0.00 C ATOM 237 CG ASN A 16 -2.491 0.431 -6.682 1.00 0.00 C ATOM 238 OD1 ASN A 16 -3.092 -0.477 -7.257 1.00 0.00 O ATOM 239 ND2 ASN A 16 -3.018 1.111 -5.671 1.00 0.00 N ATOM 0 H ASN A 16 1.360 1.429 -7.142 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.091 0.256 -5.292 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.951 1.896 -6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.979 0.664 -8.179 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.957 0.889 -5.341 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.484 1.856 -5.224 1.00 0.00 H new ATOM 246 N CYS A 17 -1.025 -2.061 -5.725 1.00 0.00 N ATOM 247 CA CYS A 17 -1.314 -3.486 -5.832 1.00 0.00 C ATOM 248 C CYS A 17 -2.805 -3.739 -5.649 1.00 0.00 C ATOM 249 O CYS A 17 -3.253 -4.886 -5.611 1.00 0.00 O ATOM 250 CB CYS A 17 -0.517 -4.271 -4.789 1.00 0.00 C ATOM 251 SG CYS A 17 -0.836 -6.065 -4.805 1.00 0.00 S ATOM 0 H CYS A 17 -1.500 -1.591 -4.954 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.020 -3.824 -6.825 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.547 -4.100 -4.956 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.751 -3.880 -3.799 1.00 0.00 H new ATOM 256 N GLY A 18 -3.566 -2.657 -5.529 1.00 0.00 N ATOM 257 CA GLY A 18 -4.997 -2.771 -5.337 1.00 0.00 C ATOM 258 C GLY A 18 -5.688 -1.422 -5.341 1.00 0.00 C ATOM 259 O GLY A 18 -5.369 -0.555 -6.156 1.00 0.00 O ATOM 0 H GLY A 18 -3.214 -1.700 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.418 -3.395 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.195 -3.275 -4.391 1.00 0.00 H new ATOM 263 N PHE A 19 -6.638 -1.244 -4.431 1.00 0.00 N ATOM 264 CA PHE A 19 -7.376 0.011 -4.328 1.00 0.00 C ATOM 265 C PHE A 19 -6.920 0.812 -3.111 1.00 0.00 C ATOM 266 O PHE A 19 -6.142 0.324 -2.291 1.00 0.00 O ATOM 267 CB PHE A 19 -8.880 -0.259 -4.247 1.00 0.00 C ATOM 268 CG PHE A 19 -9.282 -1.095 -3.066 1.00 0.00 C ATOM 269 CD1 PHE A 19 -9.103 -2.468 -3.081 1.00 0.00 C ATOM 270 CD2 PHE A 19 -9.842 -0.507 -1.944 1.00 0.00 C ATOM 271 CE1 PHE A 19 -9.474 -3.241 -1.996 1.00 0.00 C ATOM 272 CE2 PHE A 19 -10.216 -1.273 -0.857 1.00 0.00 C ATOM 273 CZ PHE A 19 -10.032 -2.642 -0.883 1.00 0.00 C ATOM 0 H PHE A 19 -6.916 -1.953 -3.753 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.171 0.598 -5.223 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.409 0.693 -4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.200 -0.760 -5.161 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.669 -2.940 -3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.988 0.563 -1.919 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.328 -4.311 -2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.652 -0.802 0.012 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.324 -3.243 -0.035 1.00 0.00 H new ATOM 283 N PRO A 20 -7.403 2.057 -2.983 1.00 0.00 N ATOM 284 CA PRO A 20 -7.045 2.935 -1.864 1.00 0.00 C ATOM 285 C PRO A 20 -7.623 2.449 -0.538 1.00 0.00 C ATOM 286 O PRO A 20 -7.026 2.648 0.520 1.00 0.00 O ATOM 287 CB PRO A 20 -7.662 4.280 -2.254 1.00 0.00 C ATOM 288 CG PRO A 20 -8.779 3.933 -3.176 1.00 0.00 C ATOM 289 CD PRO A 20 -8.336 2.705 -3.921 1.00 0.00 C ATOM 0 HA PRO A 20 -5.967 2.975 -1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.025 4.818 -1.378 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.931 4.924 -2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.698 3.742 -2.621 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.986 4.753 -3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.178 2.056 -4.164 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.848 2.960 -4.862 1.00 0.00 H new ATOM 297 N GLY A 21 -8.787 1.810 -0.603 1.00 0.00 N ATOM 298 CA GLY A 21 -9.424 1.305 0.599 1.00 0.00 C ATOM 299 C GLY A 21 -8.740 0.065 1.142 1.00 0.00 C ATOM 300 O GLY A 21 -8.776 -0.196 2.345 1.00 0.00 O ATOM 0 H GLY A 21 -9.300 1.633 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.419 2.083 1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.468 1.076 0.384 1.00 0.00 H new ATOM 304 N VAL A 22 -8.112 -0.698 0.253 1.00 0.00 N ATOM 305 CA VAL A 22 -7.412 -1.914 0.648 1.00 0.00 C ATOM 306 C VAL A 22 -6.951 -1.840 2.099 1.00 0.00 C ATOM 307 O VAL A 22 -6.711 -0.757 2.631 1.00 0.00 O ATOM 308 CB VAL A 22 -6.190 -2.173 -0.253 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.622 -2.358 -1.700 1.00 0.00 C ATOM 310 CG2 VAL A 22 -5.188 -1.035 -0.129 1.00 0.00 C ATOM 0 H VAL A 22 -8.074 -0.495 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.120 -2.736 0.538 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.706 -3.092 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.745 -2.540 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.300 -3.209 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.131 -1.458 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.331 -1.234 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.660 -0.100 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.855 -0.955 0.906 1.00 0.00 H new ATOM 320 N THR A 23 -6.824 -3.002 2.732 1.00 0.00 N ATOM 321 CA THR A 23 -6.377 -3.073 4.117 1.00 0.00 C ATOM 322 C THR A 23 -5.127 -3.936 4.246 1.00 0.00 C ATOM 323 O THR A 23 -4.783 -4.688 3.334 1.00 0.00 O ATOM 324 CB THR A 23 -7.476 -3.643 5.034 1.00 0.00 C ATOM 325 OG1 THR A 23 -7.832 -4.964 4.611 1.00 0.00 O ATOM 326 CG2 THR A 23 -8.708 -2.751 5.020 1.00 0.00 C ATOM 0 H THR A 23 -7.025 -3.907 2.307 1.00 0.00 H new ATOM 0 HA THR A 23 -6.147 -2.054 4.428 1.00 0.00 H new ATOM 0 HB THR A 23 -7.086 -3.681 6.051 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.675 -5.596 5.344 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.470 -3.173 5.674 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.440 -1.755 5.371 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.098 -2.685 4.004 1.00 0.00 H new ATOM 334 N PRO A 24 -4.429 -3.833 5.388 1.00 0.00 N ATOM 335 CA PRO A 24 -3.205 -4.599 5.640 1.00 0.00 C ATOM 336 C PRO A 24 -3.406 -6.097 5.436 1.00 0.00 C ATOM 337 O PRO A 24 -2.487 -6.807 5.027 1.00 0.00 O ATOM 338 CB PRO A 24 -2.892 -4.298 7.108 1.00 0.00 C ATOM 339 CG PRO A 24 -3.546 -2.986 7.376 1.00 0.00 C ATOM 340 CD PRO A 24 -4.781 -2.957 6.519 1.00 0.00 C ATOM 0 HA PRO A 24 -2.404 -4.323 4.954 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.283 -5.076 7.763 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.817 -4.247 7.281 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.801 -2.885 8.431 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.880 -2.160 7.128 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.653 -3.327 7.058 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.016 -1.946 6.187 1.00 0.00 H new ATOM 348 N SER A 25 -4.612 -6.572 5.731 1.00 0.00 N ATOM 349 CA SER A 25 -4.929 -7.990 5.594 1.00 0.00 C ATOM 350 C SER A 25 -5.343 -8.321 4.163 1.00 0.00 C ATOM 351 O SER A 25 -4.881 -9.305 3.586 1.00 0.00 O ATOM 352 CB SER A 25 -6.046 -8.378 6.564 1.00 0.00 C ATOM 353 OG SER A 25 -6.370 -9.753 6.443 1.00 0.00 O ATOM 0 H SER A 25 -5.385 -5.997 6.066 1.00 0.00 H new ATOM 0 HA SER A 25 -4.033 -8.562 5.834 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.736 -8.163 7.586 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.931 -7.773 6.366 1.00 0.00 H new ATOM 0 HG SER A 25 -7.085 -9.977 7.074 1.00 0.00 H new ATOM 359 N GLN A 26 -6.221 -7.497 3.600 1.00 0.00 N ATOM 360 CA GLN A 26 -6.707 -7.712 2.242 1.00 0.00 C ATOM 361 C GLN A 26 -5.555 -7.696 1.242 1.00 0.00 C ATOM 362 O GLN A 26 -5.464 -8.563 0.372 1.00 0.00 O ATOM 363 CB GLN A 26 -7.734 -6.641 1.870 1.00 0.00 C ATOM 364 CG GLN A 26 -8.957 -6.633 2.774 1.00 0.00 C ATOM 365 CD GLN A 26 -9.963 -5.570 2.382 1.00 0.00 C ATOM 366 OE1 GLN A 26 -10.688 -5.041 3.226 1.00 0.00 O ATOM 367 NE2 GLN A 26 -10.015 -5.251 1.094 1.00 0.00 N ATOM 0 H GLN A 26 -6.610 -6.675 4.063 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.183 -8.692 2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.257 -5.662 1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.054 -6.798 0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.436 -7.612 2.740 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.642 -6.468 3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.396 -5.714 0.429 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.674 -4.543 0.770 1.00 0.00 H new ATOM 376 N CYS A 27 -4.681 -6.703 1.368 1.00 0.00 N ATOM 377 CA CYS A 27 -3.545 -6.565 0.465 1.00 0.00 C ATOM 378 C CYS A 27 -2.450 -7.569 0.809 1.00 0.00 C ATOM 379 O CYS A 27 -1.931 -8.260 -0.068 1.00 0.00 O ATOM 380 CB CYS A 27 -2.987 -5.142 0.531 1.00 0.00 C ATOM 381 SG CYS A 27 -1.580 -4.840 -0.587 1.00 0.00 S ATOM 0 H CYS A 27 -4.738 -5.982 2.087 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.891 -6.767 -0.549 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.785 -4.439 0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.675 -4.933 1.554 1.00 0.00 H new ATOM 386 N ALA A 28 -2.102 -7.645 2.089 1.00 0.00 N ATOM 387 CA ALA A 28 -1.065 -8.561 2.546 1.00 0.00 C ATOM 388 C ALA A 28 -1.473 -10.012 2.313 1.00 0.00 C ATOM 389 O ALA A 28 -0.641 -10.918 2.366 1.00 0.00 O ATOM 390 CB ALA A 28 -0.765 -8.325 4.019 1.00 0.00 C ATOM 0 H ALA A 28 -2.523 -7.083 2.828 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.162 -8.367 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.011 -9.016 4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.422 -7.300 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.669 -8.490 4.605 1.00 0.00 H new ATOM 396 N ASN A 29 -2.758 -10.226 2.054 1.00 0.00 N ATOM 397 CA ASN A 29 -3.276 -11.568 1.812 1.00 0.00 C ATOM 398 C ASN A 29 -3.065 -11.978 0.358 1.00 0.00 C ATOM 399 O ASN A 29 -3.180 -13.153 0.011 1.00 0.00 O ATOM 400 CB ASN A 29 -4.765 -11.633 2.161 1.00 0.00 C ATOM 401 CG ASN A 29 -5.354 -13.010 1.927 1.00 0.00 C ATOM 402 OD1 ASN A 29 -4.661 -14.022 2.041 1.00 0.00 O ATOM 403 ND2 ASN A 29 -6.639 -13.056 1.596 1.00 0.00 N ATOM 0 H ASN A 29 -3.460 -9.488 2.006 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.729 -12.262 2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.903 -11.355 3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.308 -10.902 1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.090 -13.955 1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.175 -12.192 1.513 1.00 0.00 H new ATOM 410 N LYS A 30 -2.757 -11.000 -0.488 1.00 0.00 N ATOM 411 CA LYS A 30 -2.533 -11.258 -1.905 1.00 0.00 C ATOM 412 C LYS A 30 -1.055 -11.513 -2.185 1.00 0.00 C ATOM 413 O LYS A 30 -0.706 -12.333 -3.034 1.00 0.00 O ATOM 414 CB LYS A 30 -3.026 -10.077 -2.744 1.00 0.00 C ATOM 415 CG LYS A 30 -4.507 -9.786 -2.573 1.00 0.00 C ATOM 416 CD LYS A 30 -5.360 -10.980 -2.972 1.00 0.00 C ATOM 417 CE LYS A 30 -6.841 -10.687 -2.801 1.00 0.00 C ATOM 418 NZ LYS A 30 -7.684 -11.852 -3.188 1.00 0.00 N ATOM 0 H LYS A 30 -2.657 -10.022 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.096 -12.150 -2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.456 -9.188 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.823 -10.279 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.710 -9.524 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.781 -8.923 -3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.157 -11.243 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.086 -11.843 -2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.042 -10.422 -1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.113 -9.824 -3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.688 -11.613 -3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.512 -12.089 -4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.442 -12.669 -2.591 1.00 0.00 H new ATOM 432 N GLY A 31 -0.191 -10.805 -1.465 1.00 0.00 N ATOM 433 CA GLY A 31 1.239 -10.969 -1.650 1.00 0.00 C ATOM 434 C GLY A 31 1.966 -9.644 -1.769 1.00 0.00 C ATOM 435 O GLY A 31 3.137 -9.602 -2.142 1.00 0.00 O ATOM 0 H GLY A 31 -0.456 -10.120 -0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.649 -11.530 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.420 -11.561 -2.547 1.00 0.00 H new ATOM 439 N CYS A 32 1.268 -8.559 -1.451 1.00 0.00 N ATOM 440 CA CYS A 32 1.854 -7.225 -1.520 1.00 0.00 C ATOM 441 C CYS A 32 1.970 -6.608 -0.130 1.00 0.00 C ATOM 442 O CYS A 32 1.431 -7.137 0.842 1.00 0.00 O ATOM 443 CB CYS A 32 1.012 -6.318 -2.418 1.00 0.00 C ATOM 444 SG CYS A 32 0.908 -6.871 -4.151 1.00 0.00 S ATOM 0 H CYS A 32 0.296 -8.577 -1.143 1.00 0.00 H new ATOM 0 HA CYS A 32 2.854 -7.320 -1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.004 -6.254 -2.008 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.431 -5.312 -2.394 1.00 0.00 H new ATOM 449 N CYS A 33 2.664 -5.478 -0.047 1.00 0.00 N ATOM 450 CA CYS A 33 2.814 -4.763 1.214 1.00 0.00 C ATOM 451 C CYS A 33 1.664 -3.784 1.420 1.00 0.00 C ATOM 452 O CYS A 33 1.042 -3.331 0.460 1.00 0.00 O ATOM 453 CB CYS A 33 4.147 -4.012 1.243 1.00 0.00 C ATOM 454 SG CYS A 33 5.612 -5.085 1.104 1.00 0.00 S ATOM 0 H CYS A 33 3.132 -5.038 -0.839 1.00 0.00 H new ATOM 0 HA CYS A 33 2.798 -5.494 2.023 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.162 -3.289 0.428 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.212 -3.446 2.172 1.00 0.00 H new ATOM 459 N PHE A 34 1.386 -3.461 2.679 1.00 0.00 N ATOM 460 CA PHE A 34 0.312 -2.532 3.007 1.00 0.00 C ATOM 461 C PHE A 34 0.782 -1.494 4.022 1.00 0.00 C ATOM 462 O PHE A 34 1.176 -1.836 5.136 1.00 0.00 O ATOM 463 CB PHE A 34 -0.898 -3.288 3.557 1.00 0.00 C ATOM 464 CG PHE A 34 -2.066 -2.398 3.875 1.00 0.00 C ATOM 465 CD1 PHE A 34 -2.137 -1.731 5.087 1.00 0.00 C ATOM 466 CD2 PHE A 34 -3.092 -2.229 2.960 1.00 0.00 C ATOM 467 CE1 PHE A 34 -3.210 -0.911 5.381 1.00 0.00 C ATOM 468 CE2 PHE A 34 -4.168 -1.411 3.247 1.00 0.00 C ATOM 469 CZ PHE A 34 -4.227 -0.751 4.460 1.00 0.00 C ATOM 0 H PHE A 34 1.889 -3.828 3.487 1.00 0.00 H new ATOM 0 HA PHE A 34 0.022 -2.015 2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.210 -4.037 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.603 -3.823 4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.345 -1.853 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.051 -2.743 2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.253 -0.396 6.329 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.961 -1.288 2.525 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.067 -0.111 4.687 1.00 0.00 H new ATOM 479 N ASP A 35 0.733 -0.226 3.629 1.00 0.00 N ATOM 480 CA ASP A 35 1.148 0.862 4.506 1.00 0.00 C ATOM 481 C ASP A 35 0.090 1.961 4.547 1.00 0.00 C ATOM 482 O ASP A 35 0.218 2.984 3.876 1.00 0.00 O ATOM 483 CB ASP A 35 2.484 1.441 4.037 1.00 0.00 C ATOM 484 CG ASP A 35 2.957 2.584 4.913 1.00 0.00 C ATOM 485 OD1 ASP A 35 3.675 2.317 5.900 1.00 0.00 O ATOM 486 OD2 ASP A 35 2.610 3.746 4.614 1.00 0.00 O ATOM 0 H ASP A 35 0.410 0.073 2.709 1.00 0.00 H new ATOM 0 HA ASP A 35 1.267 0.460 5.512 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.237 0.653 4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.385 1.791 3.010 1.00 0.00 H new ATOM 491 N ASP A 36 -0.954 1.740 5.340 1.00 0.00 N ATOM 492 CA ASP A 36 -2.035 2.709 5.467 1.00 0.00 C ATOM 493 C ASP A 36 -1.630 3.859 6.382 1.00 0.00 C ATOM 494 O ASP A 36 -2.481 4.556 6.934 1.00 0.00 O ATOM 495 CB ASP A 36 -3.295 2.030 6.008 1.00 0.00 C ATOM 496 CG ASP A 36 -3.076 1.405 7.372 1.00 0.00 C ATOM 497 OD1 ASP A 36 -1.935 0.983 7.654 1.00 0.00 O ATOM 498 OD2 ASP A 36 -4.045 1.340 8.157 1.00 0.00 O ATOM 0 H ASP A 36 -1.073 0.898 5.904 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.245 3.114 4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.100 2.762 6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.619 1.261 5.307 1.00 0.00 H new ATOM 503 N THR A 37 -0.324 4.050 6.539 1.00 0.00 N ATOM 504 CA THR A 37 0.194 5.115 7.388 1.00 0.00 C ATOM 505 C THR A 37 0.413 6.396 6.590 1.00 0.00 C ATOM 506 O THR A 37 0.547 7.480 7.161 1.00 0.00 O ATOM 507 CB THR A 37 1.520 4.707 8.054 1.00 0.00 C ATOM 508 OG1 THR A 37 2.503 4.415 7.054 1.00 0.00 O ATOM 509 CG2 THR A 37 1.325 3.491 8.949 1.00 0.00 C ATOM 0 H THR A 37 0.394 3.481 6.090 1.00 0.00 H new ATOM 0 HA THR A 37 -0.553 5.294 8.162 1.00 0.00 H new ATOM 0 HB THR A 37 1.863 5.540 8.668 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.102 4.506 6.165 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.276 3.221 9.409 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.599 3.725 9.728 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.960 2.655 8.352 1.00 0.00 H new ATOM 517 N VAL A 38 0.447 6.265 5.269 1.00 0.00 N ATOM 518 CA VAL A 38 0.650 7.413 4.393 1.00 0.00 C ATOM 519 C VAL A 38 -0.632 7.767 3.646 1.00 0.00 C ATOM 520 O VAL A 38 -1.237 6.916 2.994 1.00 0.00 O ATOM 521 CB VAL A 38 1.769 7.147 3.369 1.00 0.00 C ATOM 522 CG1 VAL A 38 1.965 8.355 2.465 1.00 0.00 C ATOM 523 CG2 VAL A 38 3.066 6.787 4.078 1.00 0.00 C ATOM 0 H VAL A 38 0.337 5.376 4.781 1.00 0.00 H new ATOM 0 HA VAL A 38 0.941 8.249 5.029 1.00 0.00 H new ATOM 0 HB VAL A 38 1.474 6.302 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.760 8.148 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.039 8.563 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.237 9.221 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.846 6.602 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.367 7.610 4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.916 5.890 4.678 1.00 0.00 H new ATOM 533 N ARG A 39 -1.039 9.028 3.746 1.00 0.00 N ATOM 534 CA ARG A 39 -2.248 9.495 3.079 1.00 0.00 C ATOM 535 C ARG A 39 -1.929 10.033 1.688 1.00 0.00 C ATOM 536 O ARG A 39 -0.768 10.093 1.285 1.00 0.00 O ATOM 537 CB ARG A 39 -2.927 10.583 3.915 1.00 0.00 C ATOM 538 CG ARG A 39 -3.354 10.109 5.295 1.00 0.00 C ATOM 539 CD ARG A 39 -4.012 11.227 6.088 1.00 0.00 C ATOM 540 NE ARG A 39 -3.117 12.364 6.278 1.00 0.00 N ATOM 541 CZ ARG A 39 -3.427 13.433 7.004 1.00 0.00 C ATOM 542 NH1 ARG A 39 -4.607 13.509 7.605 1.00 0.00 N ATOM 543 NH2 ARG A 39 -2.559 14.428 7.128 1.00 0.00 N ATOM 0 H ARG A 39 -0.549 9.744 4.282 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.926 8.648 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.244 11.426 4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.802 10.949 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.048 9.274 5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.485 9.738 5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.912 11.557 5.570 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.325 10.846 7.060 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.202 12.337 5.828 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.278 12.746 7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.844 14.330 8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.651 14.374 6.666 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.799 15.248 7.686 1.00 0.00 H new ATOM 557 N GLY A 40 -2.969 10.420 0.955 1.00 0.00 N ATOM 558 CA GLY A 40 -2.778 10.940 -0.385 1.00 0.00 C ATOM 559 C GLY A 40 -2.313 9.875 -1.359 1.00 0.00 C ATOM 560 O GLY A 40 -2.664 9.907 -2.538 1.00 0.00 O ATOM 0 H GLY A 40 -3.940 10.382 1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.714 11.370 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.046 11.747 -0.357 1.00 0.00 H new ATOM 564 N VAL A 41 -1.523 8.928 -0.864 1.00 0.00 N ATOM 565 CA VAL A 41 -1.013 7.845 -1.697 1.00 0.00 C ATOM 566 C VAL A 41 -1.725 6.532 -1.388 1.00 0.00 C ATOM 567 O VAL A 41 -2.478 6.438 -0.419 1.00 0.00 O ATOM 568 CB VAL A 41 0.502 7.652 -1.500 1.00 0.00 C ATOM 569 CG1 VAL A 41 1.256 8.921 -1.872 1.00 0.00 C ATOM 570 CG2 VAL A 41 0.807 7.243 -0.067 1.00 0.00 C ATOM 0 H VAL A 41 -1.222 8.889 0.110 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.205 8.125 -2.733 1.00 0.00 H new ATOM 0 HB VAL A 41 0.836 6.852 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.325 8.765 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.064 9.165 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.920 9.743 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.882 7.111 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.458 8.019 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.299 6.306 0.160 1.00 0.00 H new ATOM 580 N PRO A 42 -1.489 5.502 -2.213 1.00 0.00 N ATOM 581 CA PRO A 42 -2.106 4.185 -2.031 1.00 0.00 C ATOM 582 C PRO A 42 -1.513 3.429 -0.847 1.00 0.00 C ATOM 583 O PRO A 42 -0.365 3.655 -0.466 1.00 0.00 O ATOM 584 CB PRO A 42 -1.790 3.464 -3.341 1.00 0.00 C ATOM 585 CG PRO A 42 -0.536 4.103 -3.828 1.00 0.00 C ATOM 586 CD PRO A 42 -0.603 5.541 -3.390 1.00 0.00 C ATOM 0 HA PRO A 42 -3.172 4.257 -1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.654 2.394 -3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.599 3.579 -4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.341 3.609 -3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.457 4.029 -4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.383 5.930 -3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.006 6.181 -4.175 1.00 0.00 H new ATOM 594 N TRP A 43 -2.304 2.531 -0.267 1.00 0.00 N ATOM 595 CA TRP A 43 -1.855 1.747 0.877 1.00 0.00 C ATOM 596 C TRP A 43 -1.370 0.370 0.438 1.00 0.00 C ATOM 597 O TRP A 43 -0.480 -0.212 1.060 1.00 0.00 O ATOM 598 CB TRP A 43 -2.984 1.604 1.899 1.00 0.00 C ATOM 599 CG TRP A 43 -3.454 2.916 2.451 1.00 0.00 C ATOM 600 CD1 TRP A 43 -2.708 4.046 2.624 1.00 0.00 C ATOM 601 CD2 TRP A 43 -4.773 3.231 2.910 1.00 0.00 C ATOM 602 NE1 TRP A 43 -3.483 5.046 3.157 1.00 0.00 N ATOM 603 CE2 TRP A 43 -4.756 4.571 3.343 1.00 0.00 C ATOM 604 CE3 TRP A 43 -5.970 2.513 2.994 1.00 0.00 C ATOM 605 CZ2 TRP A 43 -5.886 5.204 3.852 1.00 0.00 C ATOM 606 CZ3 TRP A 43 -7.091 3.143 3.499 1.00 0.00 C ATOM 607 CH2 TRP A 43 -7.043 4.477 3.922 1.00 0.00 C ATOM 0 H TRP A 43 -3.257 2.329 -0.570 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.021 2.273 1.341 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.825 1.092 1.431 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.644 0.973 2.720 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.661 4.140 2.377 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.164 5.989 3.379 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.017 1.484 2.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.851 6.232 4.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.020 2.597 3.569 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.937 4.941 4.311 1.00 0.00 H new ATOM 618 N CYS A 44 -1.951 -0.146 -0.641 1.00 0.00 N ATOM 619 CA CYS A 44 -1.559 -1.446 -1.171 1.00 0.00 C ATOM 620 C CYS A 44 -0.622 -1.284 -2.363 1.00 0.00 C ATOM 621 O CYS A 44 -0.999 -0.720 -3.389 1.00 0.00 O ATOM 622 CB CYS A 44 -2.794 -2.247 -1.583 1.00 0.00 C ATOM 623 SG CYS A 44 -2.426 -3.924 -2.190 1.00 0.00 S ATOM 0 H CYS A 44 -2.694 0.316 -1.164 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.031 -1.987 -0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.467 -2.321 -0.729 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.326 -1.699 -2.361 1.00 0.00 H new ATOM 628 N PHE A 45 0.602 -1.782 -2.219 1.00 0.00 N ATOM 629 CA PHE A 45 1.595 -1.690 -3.283 1.00 0.00 C ATOM 630 C PHE A 45 2.459 -2.945 -3.330 1.00 0.00 C ATOM 631 O PHE A 45 2.395 -3.788 -2.434 1.00 0.00 O ATOM 632 CB PHE A 45 2.476 -0.456 -3.082 1.00 0.00 C ATOM 633 CG PHE A 45 3.215 -0.451 -1.773 1.00 0.00 C ATOM 634 CD1 PHE A 45 4.473 -1.023 -1.670 1.00 0.00 C ATOM 635 CD2 PHE A 45 2.650 0.125 -0.646 1.00 0.00 C ATOM 636 CE1 PHE A 45 5.154 -1.019 -0.468 1.00 0.00 C ATOM 637 CE2 PHE A 45 3.327 0.133 0.558 1.00 0.00 C ATOM 638 CZ PHE A 45 4.581 -0.441 0.648 1.00 0.00 C ATOM 0 H PHE A 45 0.930 -2.253 -1.376 1.00 0.00 H new ATOM 0 HA PHE A 45 1.067 -1.599 -4.232 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.197 -0.398 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.855 0.437 -3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.926 -1.477 -2.539 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.669 0.573 -0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.134 -1.468 -0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.877 0.587 1.428 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.112 -0.438 1.589 1.00 0.00 H new ATOM 648 N TYR A 46 3.261 -3.068 -4.382 1.00 0.00 N ATOM 649 CA TYR A 46 4.121 -4.231 -4.552 1.00 0.00 C ATOM 650 C TYR A 46 5.345 -4.143 -3.644 1.00 0.00 C ATOM 651 O TYR A 46 5.981 -3.093 -3.544 1.00 0.00 O ATOM 652 CB TYR A 46 4.562 -4.356 -6.012 1.00 0.00 C ATOM 653 CG TYR A 46 3.410 -4.446 -6.988 1.00 0.00 C ATOM 654 CD1 TYR A 46 2.364 -5.337 -6.780 1.00 0.00 C ATOM 655 CD2 TYR A 46 3.367 -3.637 -8.117 1.00 0.00 C ATOM 656 CE1 TYR A 46 1.310 -5.421 -7.670 1.00 0.00 C ATOM 657 CE2 TYR A 46 2.316 -3.714 -9.011 1.00 0.00 C ATOM 658 CZ TYR A 46 1.291 -4.607 -8.783 1.00 0.00 C ATOM 659 OH TYR A 46 0.242 -4.687 -9.671 1.00 0.00 O ATOM 0 H TYR A 46 3.333 -2.377 -5.129 1.00 0.00 H new ATOM 0 HA TYR A 46 3.550 -5.117 -4.275 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.180 -3.496 -6.271 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.188 -5.242 -6.119 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.375 -5.974 -5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.168 -2.936 -8.299 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.506 -6.120 -7.495 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.298 -3.078 -9.884 1.00 0.00 H new ATOM 0 HH TYR A 46 0.380 -4.046 -10.399 1.00 0.00 H new ATOM 669 N PRO A 47 5.684 -5.250 -2.969 1.00 0.00 N ATOM 670 CA PRO A 47 6.831 -5.309 -2.057 1.00 0.00 C ATOM 671 C PRO A 47 8.150 -5.027 -2.758 1.00 0.00 C ATOM 672 O PRO A 47 8.199 -4.316 -3.762 1.00 0.00 O ATOM 673 CB PRO A 47 6.820 -6.751 -1.540 1.00 0.00 C ATOM 674 CG PRO A 47 5.982 -7.511 -2.511 1.00 0.00 C ATOM 675 CD PRO A 47 4.972 -6.534 -3.041 1.00 0.00 C ATOM 0 HA PRO A 47 6.749 -4.556 -1.273 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.830 -7.158 -1.489 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.403 -6.805 -0.534 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.592 -7.918 -3.318 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.491 -8.355 -2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.675 -6.774 -4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.064 -6.526 -2.439 1.00 0.00 H new ATOM 683 N ASN A 48 9.214 -5.618 -2.231 1.00 0.00 N ATOM 684 CA ASN A 48 10.539 -5.487 -2.822 1.00 0.00 C ATOM 685 C ASN A 48 11.092 -6.840 -3.249 1.00 0.00 C ATOM 686 O ASN A 48 10.428 -7.868 -3.135 1.00 0.00 O ATOM 687 CB ASN A 48 11.509 -4.828 -1.844 1.00 0.00 C ATOM 688 CG ASN A 48 11.171 -3.373 -1.583 1.00 0.00 C ATOM 689 OD1 ASN A 48 11.655 -2.478 -2.277 1.00 0.00 O ATOM 690 ND2 ASN A 48 10.338 -3.129 -0.580 1.00 0.00 N ATOM 0 H ASN A 48 9.185 -6.196 -1.391 1.00 0.00 H new ATOM 0 HA ASN A 48 10.437 -4.856 -3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.497 -5.375 -0.901 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.522 -4.897 -2.240 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.075 -2.169 -0.358 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.961 -3.901 -0.031 1.00 0.00 H new ATOM 965 N CYS B 7 6.229 -49.597 -15.917 1.00 0.00 N ATOM 966 CA CYS B 7 6.390 -51.010 -16.243 1.00 0.00 C ATOM 967 C CYS B 7 7.554 -51.218 -17.208 1.00 0.00 C ATOM 968 O CYS B 7 7.652 -52.257 -17.861 1.00 0.00 O ATOM 969 CB CYS B 7 5.102 -51.567 -16.852 1.00 0.00 C ATOM 970 SG CYS B 7 3.657 -51.478 -15.746 1.00 0.00 S ATOM 0 HA CYS B 7 6.607 -51.546 -15.319 1.00 0.00 H new ATOM 0 HB2 CYS B 7 4.879 -51.019 -17.768 1.00 0.00 H new ATOM 0 HB3 CYS B 7 5.266 -52.607 -17.134 1.00 0.00 H new ATOM 975 N THR B 8 8.433 -50.225 -17.291 1.00 0.00 N ATOM 976 CA THR B 8 9.594 -50.305 -18.170 1.00 0.00 C ATOM 977 C THR B 8 10.764 -50.987 -17.470 1.00 0.00 C ATOM 978 O THR B 8 11.629 -50.325 -16.897 1.00 0.00 O ATOM 979 CB THR B 8 10.037 -48.909 -18.644 1.00 0.00 C ATOM 980 OG1 THR B 8 11.177 -49.022 -19.505 1.00 0.00 O ATOM 981 CG2 THR B 8 10.378 -48.018 -17.460 1.00 0.00 C ATOM 0 H THR B 8 8.364 -49.356 -16.761 1.00 0.00 H new ATOM 0 HA THR B 8 9.296 -50.896 -19.036 1.00 0.00 H new ATOM 0 HB THR B 8 9.210 -48.458 -19.193 1.00 0.00 H new ATOM 0 HG1 THR B 8 11.451 -48.130 -19.803 1.00 0.00 H new ATOM 0 HG21 THR B 8 10.688 -47.037 -17.820 1.00 0.00 H new ATOM 0 HG22 THR B 8 9.501 -47.910 -16.822 1.00 0.00 H new ATOM 0 HG23 THR B 8 11.190 -48.468 -16.888 1.00 0.00 H new ATOM 989 N VAL B 9 10.781 -52.316 -17.514 1.00 0.00 N ATOM 990 CA VAL B 9 11.836 -53.087 -16.866 1.00 0.00 C ATOM 991 C VAL B 9 12.510 -54.034 -17.850 1.00 0.00 C ATOM 992 O VAL B 9 11.991 -54.292 -18.937 1.00 0.00 O ATOM 993 CB VAL B 9 11.286 -53.904 -15.682 1.00 0.00 C ATOM 994 CG1 VAL B 9 12.403 -54.685 -15.007 1.00 0.00 C ATOM 995 CG2 VAL B 9 10.583 -52.995 -14.686 1.00 0.00 C ATOM 0 H VAL B 9 10.077 -52.880 -17.991 1.00 0.00 H new ATOM 0 HA VAL B 9 12.569 -52.370 -16.496 1.00 0.00 H new ATOM 0 HB VAL B 9 10.556 -54.617 -16.065 1.00 0.00 H new ATOM 0 HG11 VAL B 9 11.995 -55.256 -14.173 1.00 0.00 H new ATOM 0 HG12 VAL B 9 12.856 -55.367 -15.726 1.00 0.00 H new ATOM 0 HG13 VAL B 9 13.159 -53.992 -14.637 1.00 0.00 H new ATOM 0 HG21 VAL B 9 10.201 -53.590 -13.857 1.00 0.00 H new ATOM 0 HG22 VAL B 9 11.289 -52.256 -14.307 1.00 0.00 H new ATOM 0 HG23 VAL B 9 9.755 -52.487 -15.179 1.00 0.00 H new ATOM 1005 N ALA B 10 13.668 -54.558 -17.458 1.00 0.00 N ATOM 1006 CA ALA B 10 14.404 -55.498 -18.295 1.00 0.00 C ATOM 1007 C ALA B 10 14.047 -56.938 -17.943 1.00 0.00 C ATOM 1008 O ALA B 10 14.038 -57.316 -16.771 1.00 0.00 O ATOM 1009 CB ALA B 10 15.901 -55.271 -18.151 1.00 0.00 C ATOM 0 H ALA B 10 14.116 -54.347 -16.566 1.00 0.00 H new ATOM 0 HA ALA B 10 14.121 -55.324 -19.333 1.00 0.00 H new ATOM 0 HB1 ALA B 10 16.439 -55.979 -18.781 1.00 0.00 H new ATOM 0 HB2 ALA B 10 16.146 -54.254 -18.458 1.00 0.00 H new ATOM 0 HB3 ALA B 10 16.193 -55.417 -17.111 1.00 0.00 H new ATOM 1015 N PRO B 11 13.742 -57.756 -18.960 1.00 0.00 N ATOM 1016 CA PRO B 11 13.363 -59.155 -18.765 1.00 0.00 C ATOM 1017 C PRO B 11 14.194 -59.840 -17.686 1.00 0.00 C ATOM 1018 O PRO B 11 13.707 -60.723 -16.981 1.00 0.00 O ATOM 1019 CB PRO B 11 13.641 -59.768 -20.134 1.00 0.00 C ATOM 1020 CG PRO B 11 13.380 -58.660 -21.098 1.00 0.00 C ATOM 1021 CD PRO B 11 13.739 -57.378 -20.385 1.00 0.00 C ATOM 0 HA PRO B 11 12.332 -59.265 -18.428 1.00 0.00 H new ATOM 0 HB2 PRO B 11 14.668 -60.125 -20.208 1.00 0.00 H new ATOM 0 HB3 PRO B 11 12.992 -60.622 -20.326 1.00 0.00 H new ATOM 0 HG2 PRO B 11 13.978 -58.782 -22.001 1.00 0.00 H new ATOM 0 HG3 PRO B 11 12.335 -58.653 -21.407 1.00 0.00 H new ATOM 0 HD2 PRO B 11 14.713 -57.004 -20.701 1.00 0.00 H new ATOM 0 HD3 PRO B 11 13.013 -56.591 -20.588 1.00 0.00 H new ATOM 1029 N ARG B 12 15.448 -59.421 -17.557 1.00 0.00 N ATOM 1030 CA ARG B 12 16.342 -59.982 -16.551 1.00 0.00 C ATOM 1031 C ARG B 12 16.254 -59.198 -15.246 1.00 0.00 C ATOM 1032 O ARG B 12 16.461 -59.749 -14.165 1.00 0.00 O ATOM 1033 CB ARG B 12 17.783 -59.987 -17.063 1.00 0.00 C ATOM 1034 CG ARG B 12 17.983 -60.840 -18.305 1.00 0.00 C ATOM 1035 CD ARG B 12 17.619 -62.293 -18.043 1.00 0.00 C ATOM 1036 NE ARG B 12 16.234 -62.440 -17.606 1.00 0.00 N ATOM 1037 CZ ARG B 12 15.793 -63.469 -16.891 1.00 0.00 C ATOM 1038 NH1 ARG B 12 16.626 -64.438 -16.536 1.00 0.00 N ATOM 1039 NH2 ARG B 12 14.519 -63.530 -16.528 1.00 0.00 N ATOM 0 H ARG B 12 15.868 -58.695 -18.137 1.00 0.00 H new ATOM 0 HA ARG B 12 16.031 -61.009 -16.357 1.00 0.00 H new ATOM 0 HB2 ARG B 12 18.086 -58.963 -17.283 1.00 0.00 H new ATOM 0 HB3 ARG B 12 18.440 -60.351 -16.273 1.00 0.00 H new ATOM 0 HG2 ARG B 12 17.371 -60.451 -19.118 1.00 0.00 H new ATOM 0 HG3 ARG B 12 19.022 -60.776 -18.629 1.00 0.00 H new ATOM 0 HD2 ARG B 12 17.776 -62.875 -18.951 1.00 0.00 H new ATOM 0 HD3 ARG B 12 18.284 -62.702 -17.283 1.00 0.00 H new ATOM 0 HE ARG B 12 15.568 -61.712 -17.864 1.00 0.00 H new ATOM 0 HH11 ARG B 12 17.607 -64.394 -16.812 1.00 0.00 H new ATOM 0 HH12 ARG B 12 16.286 -65.227 -15.987 1.00 0.00 H new ATOM 0 HH21 ARG B 12 13.876 -62.786 -16.798 1.00 0.00 H new ATOM 0 HH22 ARG B 12 14.182 -64.321 -15.979 1.00 0.00 H new ATOM 1053 N GLU B 13 15.954 -57.908 -15.354 1.00 0.00 N ATOM 1054 CA GLU B 13 15.862 -57.043 -14.183 1.00 0.00 C ATOM 1055 C GLU B 13 14.429 -56.970 -13.666 1.00 0.00 C ATOM 1056 O GLU B 13 14.166 -56.381 -12.618 1.00 0.00 O ATOM 1057 CB GLU B 13 16.369 -55.640 -14.520 1.00 0.00 C ATOM 1058 CG GLU B 13 17.813 -55.611 -14.992 1.00 0.00 C ATOM 1059 CD GLU B 13 18.777 -56.145 -13.948 1.00 0.00 C ATOM 1060 OE1 GLU B 13 19.038 -57.366 -13.952 1.00 0.00 O ATOM 1061 OE2 GLU B 13 19.270 -55.341 -13.130 1.00 0.00 O ATOM 0 H GLU B 13 15.770 -57.438 -16.241 1.00 0.00 H new ATOM 0 HA GLU B 13 16.487 -57.470 -13.399 1.00 0.00 H new ATOM 0 HB2 GLU B 13 15.734 -55.210 -15.294 1.00 0.00 H new ATOM 0 HB3 GLU B 13 16.271 -55.006 -13.639 1.00 0.00 H new ATOM 0 HG2 GLU B 13 17.906 -56.202 -15.903 1.00 0.00 H new ATOM 0 HG3 GLU B 13 18.088 -54.587 -15.246 1.00 0.00 H new ATOM 1068 N ARG B 14 13.505 -57.577 -14.405 1.00 0.00 N ATOM 1069 CA ARG B 14 12.101 -57.591 -14.010 1.00 0.00 C ATOM 1070 C ARG B 14 11.894 -58.461 -12.773 1.00 0.00 C ATOM 1071 O ARG B 14 12.230 -59.645 -12.772 1.00 0.00 O ATOM 1072 CB ARG B 14 11.230 -58.100 -15.159 1.00 0.00 C ATOM 1073 CG ARG B 14 11.306 -57.235 -16.407 1.00 0.00 C ATOM 1074 CD ARG B 14 10.446 -57.796 -17.527 1.00 0.00 C ATOM 1075 NE ARG B 14 10.529 -56.983 -18.739 1.00 0.00 N ATOM 1076 CZ ARG B 14 9.921 -57.296 -19.878 1.00 0.00 C ATOM 1077 NH1 ARG B 14 9.187 -58.398 -19.959 1.00 0.00 N ATOM 1078 NH2 ARG B 14 10.045 -56.506 -20.936 1.00 0.00 N ATOM 0 H ARG B 14 13.703 -58.065 -15.279 1.00 0.00 H new ATOM 0 HA ARG B 14 11.807 -56.570 -13.768 1.00 0.00 H new ATOM 0 HB2 ARG B 14 11.533 -59.116 -15.412 1.00 0.00 H new ATOM 0 HB3 ARG B 14 10.194 -58.151 -14.824 1.00 0.00 H new ATOM 0 HG2 ARG B 14 10.980 -56.222 -16.169 1.00 0.00 H new ATOM 0 HG3 ARG B 14 12.341 -57.167 -16.741 1.00 0.00 H new ATOM 0 HD2 ARG B 14 10.762 -58.815 -17.751 1.00 0.00 H new ATOM 0 HD3 ARG B 14 9.409 -57.849 -17.196 1.00 0.00 H new ATOM 0 HE ARG B 14 11.084 -56.128 -18.709 1.00 0.00 H new ATOM 0 HH11 ARG B 14 9.089 -59.006 -19.146 1.00 0.00 H new ATOM 0 HH12 ARG B 14 8.721 -58.637 -20.834 1.00 0.00 H new ATOM 0 HH21 ARG B 14 10.608 -55.657 -20.876 1.00 0.00 H new ATOM 0 HH22 ARG B 14 9.578 -56.747 -21.810 1.00 0.00 H new ATOM 1092 N GLN B 15 11.351 -57.862 -11.718 1.00 0.00 N ATOM 1093 CA GLN B 15 11.135 -58.573 -10.463 1.00 0.00 C ATOM 1094 C GLN B 15 9.876 -59.430 -10.534 1.00 0.00 C ATOM 1095 O GLN B 15 8.780 -58.970 -10.216 1.00 0.00 O ATOM 1096 CB GLN B 15 11.029 -57.583 -9.302 1.00 0.00 C ATOM 1097 CG GLN B 15 10.840 -58.245 -7.946 1.00 0.00 C ATOM 1098 CD GLN B 15 12.050 -59.050 -7.510 1.00 0.00 C ATOM 1099 OE1 GLN B 15 12.307 -59.205 -6.316 1.00 0.00 O ATOM 1100 NE2 GLN B 15 12.804 -59.564 -8.475 1.00 0.00 N ATOM 0 H GLN B 15 11.053 -56.887 -11.707 1.00 0.00 H new ATOM 0 HA GLN B 15 11.990 -59.228 -10.294 1.00 0.00 H new ATOM 0 HB2 GLN B 15 11.931 -56.971 -9.275 1.00 0.00 H new ATOM 0 HB3 GLN B 15 10.192 -56.909 -9.487 1.00 0.00 H new ATOM 0 HG2 GLN B 15 10.631 -57.479 -7.199 1.00 0.00 H new ATOM 0 HG3 GLN B 15 9.969 -58.899 -7.985 1.00 0.00 H new ATOM 0 HE21 GLN B 15 12.555 -59.412 -9.452 1.00 0.00 H new ATOM 0 HE22 GLN B 15 13.632 -60.111 -8.239 1.00 0.00 H new ATOM 1109 N ASN B 16 10.043 -60.683 -10.946 1.00 0.00 N ATOM 1110 CA ASN B 16 8.926 -61.616 -11.040 1.00 0.00 C ATOM 1111 C ASN B 16 7.888 -61.328 -9.958 1.00 0.00 C ATOM 1112 O ASN B 16 8.237 -61.013 -8.820 1.00 0.00 O ATOM 1113 CB ASN B 16 9.435 -63.056 -10.918 1.00 0.00 C ATOM 1114 CG ASN B 16 8.342 -64.086 -11.121 1.00 0.00 C ATOM 1115 OD1 ASN B 16 8.592 -65.180 -11.627 1.00 0.00 O ATOM 1116 ND2 ASN B 16 7.124 -63.746 -10.722 1.00 0.00 N ATOM 0 H ASN B 16 10.943 -61.076 -11.221 1.00 0.00 H new ATOM 0 HA ASN B 16 8.449 -61.489 -12.012 1.00 0.00 H new ATOM 0 HB2 ASN B 16 10.224 -63.221 -11.652 1.00 0.00 H new ATOM 0 HB3 ASN B 16 9.881 -63.196 -9.934 1.00 0.00 H new ATOM 0 HD21 ASN B 16 6.350 -64.402 -10.830 1.00 0.00 H new ATOM 0 HD22 ASN B 16 6.961 -62.828 -10.307 1.00 0.00 H new ATOM 1123 N CYS B 17 6.613 -61.427 -10.321 1.00 0.00 N ATOM 1124 CA CYS B 17 5.526 -61.165 -9.384 1.00 0.00 C ATOM 1125 C CYS B 17 4.544 -62.328 -9.367 1.00 0.00 C ATOM 1126 O CYS B 17 3.535 -62.300 -8.662 1.00 0.00 O ATOM 1127 CB CYS B 17 4.800 -59.872 -9.758 1.00 0.00 C ATOM 1128 SG CYS B 17 3.349 -59.505 -8.716 1.00 0.00 S ATOM 0 H CYS B 17 6.307 -61.687 -11.259 1.00 0.00 H new ATOM 0 HA CYS B 17 5.953 -61.053 -8.387 1.00 0.00 H new ATOM 0 HB2 CYS B 17 5.502 -59.041 -9.690 1.00 0.00 H new ATOM 0 HB3 CYS B 17 4.480 -59.935 -10.798 1.00 0.00 H new ATOM 1133 N GLY B 18 4.855 -63.353 -10.150 1.00 0.00 N ATOM 1134 CA GLY B 18 4.008 -64.526 -10.219 1.00 0.00 C ATOM 1135 C GLY B 18 4.642 -65.639 -11.025 1.00 0.00 C ATOM 1136 O GLY B 18 5.824 -65.941 -10.860 1.00 0.00 O ATOM 0 H GLY B 18 5.685 -63.392 -10.742 1.00 0.00 H new ATOM 0 HA2 GLY B 18 3.800 -64.883 -9.210 1.00 0.00 H new ATOM 0 HA3 GLY B 18 3.051 -64.256 -10.665 1.00 0.00 H new ATOM 1140 N PHE B 19 3.855 -66.245 -11.905 1.00 0.00 N ATOM 1141 CA PHE B 19 4.353 -67.307 -12.771 1.00 0.00 C ATOM 1142 C PHE B 19 4.520 -66.808 -14.203 1.00 0.00 C ATOM 1143 O PHE B 19 3.880 -65.838 -14.610 1.00 0.00 O ATOM 1144 CB PHE B 19 3.411 -68.512 -12.735 1.00 0.00 C ATOM 1145 CG PHE B 19 1.988 -68.178 -13.076 1.00 0.00 C ATOM 1146 CD1 PHE B 19 1.121 -67.710 -12.101 1.00 0.00 C ATOM 1147 CD2 PHE B 19 1.515 -68.334 -14.369 1.00 0.00 C ATOM 1148 CE1 PHE B 19 -0.191 -67.404 -12.409 1.00 0.00 C ATOM 1149 CE2 PHE B 19 0.203 -68.031 -14.683 1.00 0.00 C ATOM 1150 CZ PHE B 19 -0.650 -67.565 -13.702 1.00 0.00 C ATOM 0 H PHE B 19 2.869 -66.020 -12.038 1.00 0.00 H new ATOM 0 HA PHE B 19 5.331 -67.616 -12.401 1.00 0.00 H new ATOM 0 HB2 PHE B 19 3.775 -69.267 -13.432 1.00 0.00 H new ATOM 0 HB3 PHE B 19 3.442 -68.956 -11.740 1.00 0.00 H new ATOM 0 HD1 PHE B 19 1.475 -67.583 -11.089 1.00 0.00 H new ATOM 0 HD2 PHE B 19 2.179 -68.696 -15.140 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -0.856 -67.040 -11.640 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -0.154 -68.159 -15.694 1.00 0.00 H new ATOM 0 HZ PHE B 19 -1.675 -67.327 -13.945 1.00 0.00 H new ATOM 1160 N PRO B 20 5.387 -67.469 -14.982 1.00 0.00 N ATOM 1161 CA PRO B 20 5.644 -67.094 -16.376 1.00 0.00 C ATOM 1162 C PRO B 20 4.418 -67.291 -17.262 1.00 0.00 C ATOM 1163 O PRO B 20 4.327 -66.721 -18.349 1.00 0.00 O ATOM 1164 CB PRO B 20 6.771 -68.038 -16.803 1.00 0.00 C ATOM 1165 CG PRO B 20 6.678 -69.196 -15.869 1.00 0.00 C ATOM 1166 CD PRO B 20 6.185 -68.633 -14.565 1.00 0.00 C ATOM 0 HA PRO B 20 5.900 -66.039 -16.472 1.00 0.00 H new ATOM 0 HB2 PRO B 20 6.649 -68.355 -17.839 1.00 0.00 H new ATOM 0 HB3 PRO B 20 7.743 -67.550 -16.731 1.00 0.00 H new ATOM 0 HG2 PRO B 20 5.993 -69.953 -16.252 1.00 0.00 H new ATOM 0 HG3 PRO B 20 7.648 -69.677 -15.745 1.00 0.00 H new ATOM 0 HD2 PRO B 20 5.584 -69.357 -14.015 1.00 0.00 H new ATOM 0 HD3 PRO B 20 7.010 -68.343 -13.914 1.00 0.00 H new ATOM 1174 N GLY B 21 3.476 -68.100 -16.787 1.00 0.00 N ATOM 1175 CA GLY B 21 2.265 -68.352 -17.544 1.00 0.00 C ATOM 1176 C GLY B 21 1.130 -67.427 -17.147 1.00 0.00 C ATOM 1177 O GLY B 21 -0.007 -67.605 -17.585 1.00 0.00 O ATOM 0 H GLY B 21 3.530 -68.585 -15.891 1.00 0.00 H new ATOM 0 HA2 GLY B 21 2.473 -68.231 -18.607 1.00 0.00 H new ATOM 0 HA3 GLY B 21 1.956 -69.387 -17.395 1.00 0.00 H new ATOM 1181 N VAL B 22 1.440 -66.437 -16.315 1.00 0.00 N ATOM 1182 CA VAL B 22 0.439 -65.482 -15.857 1.00 0.00 C ATOM 1183 C VAL B 22 -0.150 -64.700 -17.026 1.00 0.00 C ATOM 1184 O VAL B 22 0.483 -64.556 -18.072 1.00 0.00 O ATOM 1185 CB VAL B 22 1.031 -64.491 -14.838 1.00 0.00 C ATOM 1186 CG1 VAL B 22 1.533 -65.226 -13.606 1.00 0.00 C ATOM 1187 CG2 VAL B 22 2.148 -63.677 -15.472 1.00 0.00 C ATOM 0 H VAL B 22 2.377 -66.276 -15.945 1.00 0.00 H new ATOM 0 HA VAL B 22 -0.350 -66.059 -15.374 1.00 0.00 H new ATOM 0 HB VAL B 22 0.243 -63.805 -14.527 1.00 0.00 H new ATOM 0 HG11 VAL B 22 1.948 -64.508 -12.898 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.706 -65.760 -13.139 1.00 0.00 H new ATOM 0 HG13 VAL B 22 2.306 -65.937 -13.897 1.00 0.00 H new ATOM 0 HG21 VAL B 22 2.554 -62.982 -14.737 1.00 0.00 H new ATOM 0 HG22 VAL B 22 2.937 -64.347 -15.813 1.00 0.00 H new ATOM 0 HG23 VAL B 22 1.754 -63.118 -16.321 1.00 0.00 H new ATOM 1197 N THR B 23 -1.365 -64.195 -16.840 1.00 0.00 N ATOM 1198 CA THR B 23 -2.037 -63.419 -17.875 1.00 0.00 C ATOM 1199 C THR B 23 -2.377 -62.019 -17.378 1.00 0.00 C ATOM 1200 O THR B 23 -2.172 -61.699 -16.207 1.00 0.00 O ATOM 1201 CB THR B 23 -3.330 -64.111 -18.345 1.00 0.00 C ATOM 1202 OG1 THR B 23 -4.235 -64.260 -17.245 1.00 0.00 O ATOM 1203 CG2 THR B 23 -3.027 -65.475 -18.946 1.00 0.00 C ATOM 0 H THR B 23 -1.904 -64.309 -15.982 1.00 0.00 H new ATOM 0 HA THR B 23 -1.346 -63.347 -18.715 1.00 0.00 H new ATOM 0 HB THR B 23 -3.790 -63.488 -19.112 1.00 0.00 H new ATOM 0 HG1 THR B 23 -5.055 -64.699 -17.553 1.00 0.00 H new ATOM 0 HG21 THR B 23 -3.956 -65.944 -19.271 1.00 0.00 H new ATOM 0 HG22 THR B 23 -2.362 -65.356 -19.802 1.00 0.00 H new ATOM 0 HG23 THR B 23 -2.545 -66.104 -18.197 1.00 0.00 H new ATOM 1211 N PRO B 24 -2.901 -61.165 -18.270 1.00 0.00 N ATOM 1212 CA PRO B 24 -3.273 -59.789 -17.925 1.00 0.00 C ATOM 1213 C PRO B 24 -4.145 -59.721 -16.676 1.00 0.00 C ATOM 1214 O PRO B 24 -3.808 -59.037 -15.709 1.00 0.00 O ATOM 1215 CB PRO B 24 -4.056 -59.318 -19.151 1.00 0.00 C ATOM 1216 CG PRO B 24 -3.526 -60.138 -20.275 1.00 0.00 C ATOM 1217 CD PRO B 24 -3.171 -61.476 -19.685 1.00 0.00 C ATOM 0 HA PRO B 24 -2.402 -59.175 -17.696 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -5.127 -59.471 -19.020 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -3.906 -58.254 -19.332 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -4.270 -60.245 -21.064 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -2.652 -59.666 -20.724 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -3.987 -62.191 -19.791 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -2.300 -61.912 -20.174 1.00 0.00 H new ATOM 1225 N SER B 25 -5.265 -60.435 -16.701 1.00 0.00 N ATOM 1226 CA SER B 25 -6.182 -60.459 -15.569 1.00 0.00 C ATOM 1227 C SER B 25 -5.477 -60.954 -14.310 1.00 0.00 C ATOM 1228 O SER B 25 -5.477 -60.280 -13.281 1.00 0.00 O ATOM 1229 CB SER B 25 -7.384 -61.352 -15.878 1.00 0.00 C ATOM 1230 OG SER B 25 -6.977 -62.681 -16.151 1.00 0.00 O ATOM 0 H SER B 25 -5.559 -61.005 -17.494 1.00 0.00 H new ATOM 0 HA SER B 25 -6.530 -59.441 -15.394 1.00 0.00 H new ATOM 0 HB2 SER B 25 -8.072 -61.346 -15.033 1.00 0.00 H new ATOM 0 HB3 SER B 25 -7.927 -60.952 -16.734 1.00 0.00 H new ATOM 0 HG SER B 25 -7.765 -63.231 -16.344 1.00 0.00 H new ATOM 1236 N GLN B 26 -4.875 -62.136 -14.401 1.00 0.00 N ATOM 1237 CA GLN B 26 -4.159 -62.717 -13.272 1.00 0.00 C ATOM 1238 C GLN B 26 -3.184 -61.710 -12.670 1.00 0.00 C ATOM 1239 O GLN B 26 -3.418 -61.178 -11.585 1.00 0.00 O ATOM 1240 CB GLN B 26 -3.405 -63.973 -13.712 1.00 0.00 C ATOM 1241 CG GLN B 26 -4.309 -65.060 -14.271 1.00 0.00 C ATOM 1242 CD GLN B 26 -3.540 -66.288 -14.716 1.00 0.00 C ATOM 1243 OE1 GLN B 26 -4.051 -67.406 -14.669 1.00 0.00 O ATOM 1244 NE2 GLN B 26 -2.302 -66.085 -15.152 1.00 0.00 N ATOM 0 H GLN B 26 -4.869 -62.709 -15.245 1.00 0.00 H new ATOM 0 HA GLN B 26 -4.890 -62.988 -12.510 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -2.669 -63.699 -14.468 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -2.853 -64.373 -12.861 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -5.037 -65.347 -13.512 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -4.870 -64.661 -15.116 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -1.918 -65.140 -15.174 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -1.736 -66.874 -15.465 1.00 0.00 H new ATOM 1253 N CYS B 27 -2.093 -61.451 -13.382 1.00 0.00 N ATOM 1254 CA CYS B 27 -1.083 -60.507 -12.916 1.00 0.00 C ATOM 1255 C CYS B 27 -1.724 -59.391 -12.097 1.00 0.00 C ATOM 1256 O CYS B 27 -1.323 -59.131 -10.963 1.00 0.00 O ATOM 1257 CB CYS B 27 -0.326 -59.913 -14.105 1.00 0.00 C ATOM 1258 SG CYS B 27 1.009 -58.764 -13.637 1.00 0.00 S ATOM 0 H CYS B 27 -1.885 -61.881 -14.283 1.00 0.00 H new ATOM 0 HA CYS B 27 -0.381 -61.045 -12.279 1.00 0.00 H new ATOM 0 HB2 CYS B 27 0.098 -60.726 -14.695 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -1.034 -59.389 -14.747 1.00 0.00 H new ATOM 1263 N ALA B 28 -2.730 -58.742 -12.675 1.00 0.00 N ATOM 1264 CA ALA B 28 -3.444 -57.672 -11.991 1.00 0.00 C ATOM 1265 C ALA B 28 -3.927 -58.128 -10.620 1.00 0.00 C ATOM 1266 O ALA B 28 -3.929 -57.356 -9.662 1.00 0.00 O ATOM 1267 CB ALA B 28 -4.617 -57.197 -12.835 1.00 0.00 C ATOM 0 H ALA B 28 -3.069 -58.940 -13.617 1.00 0.00 H new ATOM 0 HA ALA B 28 -2.754 -56.840 -11.848 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -5.142 -56.397 -12.312 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -4.250 -56.825 -13.792 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -5.301 -58.028 -13.007 1.00 0.00 H new ATOM 1273 N ASN B 29 -4.321 -59.394 -10.530 1.00 0.00 N ATOM 1274 CA ASN B 29 -4.769 -59.966 -9.266 1.00 0.00 C ATOM 1275 C ASN B 29 -3.766 -59.667 -8.158 1.00 0.00 C ATOM 1276 O ASN B 29 -4.141 -59.475 -7.001 1.00 0.00 O ATOM 1277 CB ASN B 29 -4.960 -61.477 -9.407 1.00 0.00 C ATOM 1278 CG ASN B 29 -5.421 -62.125 -8.116 1.00 0.00 C ATOM 1279 OD1 ASN B 29 -6.104 -61.502 -7.303 1.00 0.00 O ATOM 1280 ND2 ASN B 29 -5.049 -63.385 -7.923 1.00 0.00 N ATOM 0 H ASN B 29 -4.339 -60.043 -11.317 1.00 0.00 H new ATOM 0 HA ASN B 29 -5.724 -59.512 -9.002 1.00 0.00 H new ATOM 0 HB2 ASN B 29 -5.690 -61.676 -10.191 1.00 0.00 H new ATOM 0 HB3 ASN B 29 -4.021 -61.931 -9.723 1.00 0.00 H new ATOM 0 HD21 ASN B 29 -5.330 -63.875 -7.074 1.00 0.00 H new ATOM 0 HD22 ASN B 29 -4.483 -63.863 -8.624 1.00 0.00 H new ATOM 1287 N LYS B 30 -2.491 -59.602 -8.527 1.00 0.00 N ATOM 1288 CA LYS B 30 -1.438 -59.247 -7.584 1.00 0.00 C ATOM 1289 C LYS B 30 -1.117 -57.758 -7.666 1.00 0.00 C ATOM 1290 O LYS B 30 -0.474 -57.201 -6.777 1.00 0.00 O ATOM 1291 CB LYS B 30 -0.176 -60.068 -7.857 1.00 0.00 C ATOM 1292 CG LYS B 30 -0.344 -61.555 -7.591 1.00 0.00 C ATOM 1293 CD LYS B 30 -1.393 -62.174 -8.501 1.00 0.00 C ATOM 1294 CE LYS B 30 -1.001 -62.059 -9.964 1.00 0.00 C ATOM 1295 NZ LYS B 30 -1.989 -62.723 -10.857 1.00 0.00 N ATOM 0 H LYS B 30 -2.162 -59.791 -9.474 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.795 -59.471 -6.579 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.122 -59.925 -8.896 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.636 -59.687 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS B 30 0.610 -62.061 -7.738 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -0.629 -61.709 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.527 -63.224 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.352 -61.681 -8.341 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -0.916 -61.007 -10.235 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -0.019 -62.507 -10.113 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -1.568 -62.863 -11.797 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.255 -63.645 -10.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -2.836 -62.125 -10.943 1.00 0.00 H new ATOM 1309 N GLY B 31 -1.571 -57.121 -8.740 1.00 0.00 N ATOM 1310 CA GLY B 31 -1.329 -55.701 -8.919 1.00 0.00 C ATOM 1311 C GLY B 31 0.055 -55.412 -9.466 1.00 0.00 C ATOM 1312 O GLY B 31 0.695 -54.439 -9.070 1.00 0.00 O ATOM 0 H GLY B 31 -2.103 -57.563 -9.490 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -2.077 -55.291 -9.597 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.452 -55.192 -7.963 1.00 0.00 H new ATOM 1316 N CYS B 32 0.515 -56.257 -10.382 1.00 0.00 N ATOM 1317 CA CYS B 32 1.828 -56.083 -10.993 1.00 0.00 C ATOM 1318 C CYS B 32 1.708 -55.900 -12.502 1.00 0.00 C ATOM 1319 O CYS B 32 0.688 -56.241 -13.102 1.00 0.00 O ATOM 1320 CB CYS B 32 2.723 -57.284 -10.685 1.00 0.00 C ATOM 1321 SG CYS B 32 3.104 -57.499 -8.916 1.00 0.00 S ATOM 0 H CYS B 32 -0.002 -57.070 -10.718 1.00 0.00 H new ATOM 0 HA CYS B 32 2.278 -55.185 -10.570 1.00 0.00 H new ATOM 0 HB2 CYS B 32 2.238 -58.188 -11.053 1.00 0.00 H new ATOM 0 HB3 CYS B 32 3.657 -57.177 -11.236 1.00 0.00 H new ATOM 1326 N CYS B 33 2.763 -55.368 -13.112 1.00 0.00 N ATOM 1327 CA CYS B 33 2.792 -55.166 -14.555 1.00 0.00 C ATOM 1328 C CYS B 33 2.764 -56.502 -15.291 1.00 0.00 C ATOM 1329 O CYS B 33 3.167 -57.530 -14.746 1.00 0.00 O ATOM 1330 CB CYS B 33 4.040 -54.379 -14.957 1.00 0.00 C ATOM 1331 SG CYS B 33 4.146 -52.719 -14.216 1.00 0.00 S ATOM 0 H CYS B 33 3.610 -55.069 -12.628 1.00 0.00 H new ATOM 0 HA CYS B 33 1.905 -54.596 -14.834 1.00 0.00 H new ATOM 0 HB2 CYS B 33 4.924 -54.950 -14.671 1.00 0.00 H new ATOM 0 HB3 CYS B 33 4.061 -54.282 -16.042 1.00 0.00 H new ATOM 1336 N PHE B 34 2.284 -56.481 -16.530 1.00 0.00 N ATOM 1337 CA PHE B 34 2.209 -57.691 -17.339 1.00 0.00 C ATOM 1338 C PHE B 34 2.833 -57.470 -18.712 1.00 0.00 C ATOM 1339 O PHE B 34 2.368 -56.635 -19.489 1.00 0.00 O ATOM 1340 CB PHE B 34 0.754 -58.140 -17.493 1.00 0.00 C ATOM 1341 CG PHE B 34 0.599 -59.400 -18.294 1.00 0.00 C ATOM 1342 CD1 PHE B 34 0.483 -59.349 -19.674 1.00 0.00 C ATOM 1343 CD2 PHE B 34 0.570 -60.636 -17.668 1.00 0.00 C ATOM 1344 CE1 PHE B 34 0.341 -60.508 -20.414 1.00 0.00 C ATOM 1345 CE2 PHE B 34 0.427 -61.797 -18.403 1.00 0.00 C ATOM 1346 CZ PHE B 34 0.313 -61.733 -19.778 1.00 0.00 C ATOM 0 H PHE B 34 1.942 -55.640 -16.995 1.00 0.00 H new ATOM 0 HA PHE B 34 2.771 -58.473 -16.827 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.322 -58.292 -16.504 1.00 0.00 H new ATOM 0 HB3 PHE B 34 0.184 -57.343 -17.970 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.504 -58.393 -20.177 1.00 0.00 H new ATOM 0 HD2 PHE B 34 0.660 -60.692 -16.593 1.00 0.00 H new ATOM 0 HE1 PHE B 34 0.252 -60.455 -21.489 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.404 -62.754 -17.903 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.202 -62.640 -20.354 1.00 0.00 H new ATOM 1356 N ASP B 35 3.887 -58.223 -19.005 1.00 0.00 N ATOM 1357 CA ASP B 35 4.575 -58.111 -20.287 1.00 0.00 C ATOM 1358 C ASP B 35 4.726 -59.480 -20.942 1.00 0.00 C ATOM 1359 O ASP B 35 5.619 -60.251 -20.590 1.00 0.00 O ATOM 1360 CB ASP B 35 5.949 -57.468 -20.097 1.00 0.00 C ATOM 1361 CG ASP B 35 6.702 -57.318 -21.405 1.00 0.00 C ATOM 1362 OD1 ASP B 35 7.437 -58.255 -21.777 1.00 0.00 O ATOM 1363 OD2 ASP B 35 6.554 -56.262 -22.056 1.00 0.00 O ATOM 0 H ASP B 35 4.284 -58.918 -18.373 1.00 0.00 H new ATOM 0 HA ASP B 35 3.974 -57.479 -20.941 1.00 0.00 H new ATOM 0 HB2 ASP B 35 5.828 -56.488 -19.636 1.00 0.00 H new ATOM 0 HB3 ASP B 35 6.539 -58.073 -19.409 1.00 0.00 H new ATOM 1368 N ASP B 36 3.850 -59.774 -21.896 1.00 0.00 N ATOM 1369 CA ASP B 36 3.886 -61.051 -22.601 1.00 0.00 C ATOM 1370 C ASP B 36 4.738 -60.951 -23.862 1.00 0.00 C ATOM 1371 O ASP B 36 4.554 -61.715 -24.809 1.00 0.00 O ATOM 1372 CB ASP B 36 2.468 -61.497 -22.962 1.00 0.00 C ATOM 1373 CG ASP B 36 1.758 -60.500 -23.856 1.00 0.00 C ATOM 1374 OD1 ASP B 36 2.057 -59.292 -23.754 1.00 0.00 O ATOM 1375 OD2 ASP B 36 0.902 -60.928 -24.659 1.00 0.00 O ATOM 0 H ASP B 36 3.106 -59.146 -22.199 1.00 0.00 H new ATOM 0 HA ASP B 36 4.335 -61.792 -21.939 1.00 0.00 H new ATOM 0 HB2 ASP B 36 2.511 -62.464 -23.463 1.00 0.00 H new ATOM 0 HB3 ASP B 36 1.890 -61.637 -22.048 1.00 0.00 H new ATOM 1380 N THR B 37 5.670 -60.004 -23.866 1.00 0.00 N ATOM 1381 CA THR B 37 6.549 -59.802 -25.012 1.00 0.00 C ATOM 1382 C THR B 37 7.805 -60.661 -24.898 1.00 0.00 C ATOM 1383 O THR B 37 8.051 -61.530 -25.733 1.00 0.00 O ATOM 1384 CB THR B 37 6.962 -58.326 -25.150 1.00 0.00 C ATOM 1385 OG1 THR B 37 7.650 -57.895 -23.970 1.00 0.00 O ATOM 1386 CG2 THR B 37 5.745 -57.443 -25.382 1.00 0.00 C ATOM 0 H THR B 37 5.836 -59.365 -23.089 1.00 0.00 H new ATOM 0 HA THR B 37 5.987 -60.098 -25.898 1.00 0.00 H new ATOM 0 HB THR B 37 7.626 -58.238 -26.010 1.00 0.00 H new ATOM 0 HG1 THR B 37 7.357 -58.434 -23.205 1.00 0.00 H new ATOM 0 HG21 THR B 37 6.062 -56.404 -25.476 1.00 0.00 H new ATOM 0 HG22 THR B 37 5.240 -57.753 -26.297 1.00 0.00 H new ATOM 0 HG23 THR B 37 5.060 -57.538 -24.539 1.00 0.00 H new ATOM 1394 N VAL B 38 8.595 -60.409 -23.859 1.00 0.00 N ATOM 1395 CA VAL B 38 9.825 -61.159 -23.637 1.00 0.00 C ATOM 1396 C VAL B 38 9.538 -62.504 -22.980 1.00 0.00 C ATOM 1397 O VAL B 38 8.975 -62.564 -21.886 1.00 0.00 O ATOM 1398 CB VAL B 38 10.813 -60.371 -22.756 1.00 0.00 C ATOM 1399 CG1 VAL B 38 12.090 -61.168 -22.539 1.00 0.00 C ATOM 1400 CG2 VAL B 38 11.120 -59.016 -23.377 1.00 0.00 C ATOM 0 H VAL B 38 8.405 -59.692 -23.159 1.00 0.00 H new ATOM 0 HA VAL B 38 10.275 -61.324 -24.616 1.00 0.00 H new ATOM 0 HB VAL B 38 10.349 -60.203 -21.784 1.00 0.00 H new ATOM 0 HG11 VAL B 38 12.775 -60.595 -21.914 1.00 0.00 H new ATOM 0 HG12 VAL B 38 11.851 -62.110 -22.046 1.00 0.00 H new ATOM 0 HG13 VAL B 38 12.560 -61.371 -23.501 1.00 0.00 H new ATOM 0 HG21 VAL B 38 11.819 -58.474 -22.740 1.00 0.00 H new ATOM 0 HG22 VAL B 38 11.563 -59.159 -24.363 1.00 0.00 H new ATOM 0 HG23 VAL B 38 10.198 -58.443 -23.473 1.00 0.00 H new ATOM 1410 N ARG B 39 9.928 -63.581 -23.653 1.00 0.00 N ATOM 1411 CA ARG B 39 9.712 -64.927 -23.133 1.00 0.00 C ATOM 1412 C ARG B 39 10.886 -65.373 -22.268 1.00 0.00 C ATOM 1413 O ARG B 39 11.829 -64.613 -22.047 1.00 0.00 O ATOM 1414 CB ARG B 39 9.507 -65.914 -24.285 1.00 0.00 C ATOM 1415 CG ARG B 39 8.310 -65.585 -25.161 1.00 0.00 C ATOM 1416 CD ARG B 39 8.162 -66.583 -26.298 1.00 0.00 C ATOM 1417 NE ARG B 39 9.337 -66.603 -27.165 1.00 0.00 N ATOM 1418 CZ ARG B 39 9.439 -67.364 -28.249 1.00 0.00 C ATOM 1419 NH1 ARG B 39 8.441 -68.166 -28.595 1.00 0.00 N ATOM 1420 NH2 ARG B 39 10.540 -67.326 -28.988 1.00 0.00 N ATOM 0 H ARG B 39 10.395 -63.549 -24.559 1.00 0.00 H new ATOM 0 HA ARG B 39 8.815 -64.910 -22.513 1.00 0.00 H new ATOM 0 HB2 ARG B 39 10.405 -65.931 -24.902 1.00 0.00 H new ATOM 0 HB3 ARG B 39 9.383 -66.917 -23.876 1.00 0.00 H new ATOM 0 HG2 ARG B 39 7.404 -65.584 -24.555 1.00 0.00 H new ATOM 0 HG3 ARG B 39 8.421 -64.580 -25.569 1.00 0.00 H new ATOM 0 HD2 ARG B 39 7.998 -67.579 -25.887 1.00 0.00 H new ATOM 0 HD3 ARG B 39 7.280 -66.332 -26.888 1.00 0.00 H new ATOM 0 HE ARG B 39 10.123 -65.999 -26.925 1.00 0.00 H new ATOM 0 HH11 ARG B 39 7.593 -68.199 -28.028 1.00 0.00 H new ATOM 0 HH12 ARG B 39 8.521 -68.750 -29.428 1.00 0.00 H new ATOM 0 HH21 ARG B 39 11.310 -66.712 -28.724 1.00 0.00 H new ATOM 0 HH22 ARG B 39 10.616 -67.911 -29.820 1.00 0.00 H new ATOM 1434 N GLY B 40 10.820 -66.607 -21.781 1.00 0.00 N ATOM 1435 CA GLY B 40 11.881 -67.130 -20.942 1.00 0.00 C ATOM 1436 C GLY B 40 11.937 -66.453 -19.587 1.00 0.00 C ATOM 1437 O GLY B 40 12.241 -67.090 -18.579 1.00 0.00 O ATOM 0 H GLY B 40 10.051 -67.254 -21.952 1.00 0.00 H new ATOM 0 HA2 GLY B 40 11.736 -68.201 -20.803 1.00 0.00 H new ATOM 0 HA3 GLY B 40 12.837 -67.001 -21.449 1.00 0.00 H new ATOM 1441 N VAL B 41 11.641 -65.158 -19.562 1.00 0.00 N ATOM 1442 CA VAL B 41 11.657 -64.394 -18.321 1.00 0.00 C ATOM 1443 C VAL B 41 10.247 -64.206 -17.773 1.00 0.00 C ATOM 1444 O VAL B 41 9.264 -64.510 -18.448 1.00 0.00 O ATOM 1445 CB VAL B 41 12.304 -63.010 -18.521 1.00 0.00 C ATOM 1446 CG1 VAL B 41 13.728 -63.155 -19.037 1.00 0.00 C ATOM 1447 CG2 VAL B 41 11.468 -62.162 -19.466 1.00 0.00 C ATOM 0 H VAL B 41 11.387 -64.616 -20.388 1.00 0.00 H new ATOM 0 HA VAL B 41 12.250 -64.965 -17.607 1.00 0.00 H new ATOM 0 HB VAL B 41 12.343 -62.504 -17.556 1.00 0.00 H new ATOM 0 HG11 VAL B 41 14.168 -62.167 -19.172 1.00 0.00 H new ATOM 0 HG12 VAL B 41 14.320 -63.721 -18.318 1.00 0.00 H new ATOM 0 HG13 VAL B 41 13.717 -63.681 -19.992 1.00 0.00 H new ATOM 0 HG21 VAL B 41 11.940 -61.188 -19.595 1.00 0.00 H new ATOM 0 HG22 VAL B 41 11.393 -62.660 -20.433 1.00 0.00 H new ATOM 0 HG23 VAL B 41 10.470 -62.029 -19.049 1.00 0.00 H new ATOM 1457 N PRO B 42 10.136 -63.694 -16.540 1.00 0.00 N ATOM 1458 CA PRO B 42 8.841 -63.445 -15.900 1.00 0.00 C ATOM 1459 C PRO B 42 8.062 -62.331 -16.591 1.00 0.00 C ATOM 1460 O PRO B 42 8.585 -61.237 -16.807 1.00 0.00 O ATOM 1461 CB PRO B 42 9.218 -63.029 -14.475 1.00 0.00 C ATOM 1462 CG PRO B 42 10.610 -62.510 -14.585 1.00 0.00 C ATOM 1463 CD PRO B 42 11.265 -63.313 -15.674 1.00 0.00 C ATOM 0 HA PRO B 42 8.191 -64.319 -15.943 1.00 0.00 H new ATOM 0 HB2 PRO B 42 8.540 -62.265 -14.094 1.00 0.00 H new ATOM 0 HB3 PRO B 42 9.164 -63.874 -13.789 1.00 0.00 H new ATOM 0 HG2 PRO B 42 10.612 -61.447 -14.828 1.00 0.00 H new ATOM 0 HG3 PRO B 42 11.144 -62.622 -13.642 1.00 0.00 H new ATOM 0 HD2 PRO B 42 12.007 -62.726 -16.215 1.00 0.00 H new ATOM 0 HD3 PRO B 42 11.779 -64.188 -15.275 1.00 0.00 H new ATOM 1471 N TRP B 43 6.813 -62.617 -16.943 1.00 0.00 N ATOM 1472 CA TRP B 43 5.971 -61.643 -17.627 1.00 0.00 C ATOM 1473 C TRP B 43 5.406 -60.625 -16.641 1.00 0.00 C ATOM 1474 O TRP B 43 5.455 -59.419 -16.883 1.00 0.00 O ATOM 1475 CB TRP B 43 4.830 -62.346 -18.363 1.00 0.00 C ATOM 1476 CG TRP B 43 5.301 -63.324 -19.396 1.00 0.00 C ATOM 1477 CD1 TRP B 43 6.534 -63.369 -19.982 1.00 0.00 C ATOM 1478 CD2 TRP B 43 4.544 -64.396 -19.970 1.00 0.00 C ATOM 1479 NE1 TRP B 43 6.590 -64.405 -20.883 1.00 0.00 N ATOM 1480 CE2 TRP B 43 5.382 -65.051 -20.893 1.00 0.00 C ATOM 1481 CE3 TRP B 43 3.241 -64.868 -19.791 1.00 0.00 C ATOM 1482 CZ2 TRP B 43 4.958 -66.151 -21.635 1.00 0.00 C ATOM 1483 CZ3 TRP B 43 2.820 -65.959 -20.528 1.00 0.00 C ATOM 1484 CH2 TRP B 43 3.676 -66.590 -21.440 1.00 0.00 C ATOM 0 H TRP B 43 6.362 -63.515 -16.766 1.00 0.00 H new ATOM 0 HA TRP B 43 6.589 -61.115 -18.354 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.206 -62.868 -17.637 1.00 0.00 H new ATOM 0 HB3 TRP B 43 4.201 -61.596 -18.843 1.00 0.00 H new ATOM 0 HD1 TRP B 43 7.346 -62.690 -19.768 1.00 0.00 H new ATOM 0 HE1 TRP B 43 7.400 -64.653 -21.452 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.575 -64.389 -19.089 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.616 -66.640 -22.338 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 1.814 -66.331 -20.399 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.317 -67.440 -22.001 1.00 0.00 H new ATOM 1495 N CYS B 44 4.871 -61.118 -15.529 1.00 0.00 N ATOM 1496 CA CYS B 44 4.303 -60.249 -14.504 1.00 0.00 C ATOM 1497 C CYS B 44 5.356 -59.878 -13.465 1.00 0.00 C ATOM 1498 O CYS B 44 5.974 -60.750 -12.855 1.00 0.00 O ATOM 1499 CB CYS B 44 3.117 -60.938 -13.825 1.00 0.00 C ATOM 1500 SG CYS B 44 2.287 -59.920 -12.563 1.00 0.00 S ATOM 0 H CYS B 44 4.819 -62.114 -15.314 1.00 0.00 H new ATOM 0 HA CYS B 44 3.956 -59.335 -14.985 1.00 0.00 H new ATOM 0 HB2 CYS B 44 2.389 -61.218 -14.586 1.00 0.00 H new ATOM 0 HB3 CYS B 44 3.464 -61.861 -13.361 1.00 0.00 H new ATOM 1505 N PHE B 45 5.561 -58.578 -13.274 1.00 0.00 N ATOM 1506 CA PHE B 45 6.554 -58.093 -12.323 1.00 0.00 C ATOM 1507 C PHE B 45 6.059 -56.841 -11.607 1.00 0.00 C ATOM 1508 O PHE B 45 5.051 -56.250 -11.994 1.00 0.00 O ATOM 1509 CB PHE B 45 7.874 -57.799 -13.036 1.00 0.00 C ATOM 1510 CG PHE B 45 7.754 -56.765 -14.121 1.00 0.00 C ATOM 1511 CD1 PHE B 45 7.862 -55.416 -13.825 1.00 0.00 C ATOM 1512 CD2 PHE B 45 7.531 -57.144 -15.435 1.00 0.00 C ATOM 1513 CE1 PHE B 45 7.751 -54.464 -14.820 1.00 0.00 C ATOM 1514 CE2 PHE B 45 7.418 -56.197 -16.434 1.00 0.00 C ATOM 1515 CZ PHE B 45 7.529 -54.854 -16.127 1.00 0.00 C ATOM 0 H PHE B 45 5.053 -57.843 -13.765 1.00 0.00 H new ATOM 0 HA PHE B 45 6.717 -58.873 -11.579 1.00 0.00 H new ATOM 0 HB2 PHE B 45 8.606 -57.461 -12.303 1.00 0.00 H new ATOM 0 HB3 PHE B 45 8.258 -58.723 -13.467 1.00 0.00 H new ATOM 0 HD1 PHE B 45 8.035 -55.105 -12.805 1.00 0.00 H new ATOM 0 HD2 PHE B 45 7.445 -58.192 -15.681 1.00 0.00 H new ATOM 0 HE1 PHE B 45 7.838 -53.415 -14.576 1.00 0.00 H new ATOM 0 HE2 PHE B 45 7.243 -56.506 -17.454 1.00 0.00 H new ATOM 0 HZ PHE B 45 7.442 -54.111 -16.906 1.00 0.00 H new ATOM 1525 N TYR B 46 6.775 -56.441 -10.561 1.00 0.00 N ATOM 1526 CA TYR B 46 6.405 -55.263 -9.785 1.00 0.00 C ATOM 1527 C TYR B 46 6.761 -53.983 -10.534 1.00 0.00 C ATOM 1528 O TYR B 46 7.669 -53.971 -11.366 1.00 0.00 O ATOM 1529 CB TYR B 46 7.106 -55.284 -8.425 1.00 0.00 C ATOM 1530 CG TYR B 46 6.759 -56.490 -7.583 1.00 0.00 C ATOM 1531 CD1 TYR B 46 7.482 -57.671 -7.695 1.00 0.00 C ATOM 1532 CD2 TYR B 46 5.710 -56.447 -6.673 1.00 0.00 C ATOM 1533 CE1 TYR B 46 7.168 -58.776 -6.927 1.00 0.00 C ATOM 1534 CE2 TYR B 46 5.391 -57.548 -5.900 1.00 0.00 C ATOM 1535 CZ TYR B 46 6.123 -58.708 -6.031 1.00 0.00 C ATOM 1536 OH TYR B 46 5.809 -59.806 -5.262 1.00 0.00 O ATOM 0 H TYR B 46 7.615 -56.916 -10.231 1.00 0.00 H new ATOM 0 HA TYR B 46 5.326 -55.283 -9.632 1.00 0.00 H new ATOM 0 HB2 TYR B 46 8.184 -55.259 -8.581 1.00 0.00 H new ATOM 0 HB3 TYR B 46 6.842 -54.380 -7.876 1.00 0.00 H new ATOM 0 HD1 TYR B 46 8.303 -57.726 -8.394 1.00 0.00 H new ATOM 0 HD2 TYR B 46 5.135 -55.539 -6.568 1.00 0.00 H new ATOM 0 HE1 TYR B 46 7.738 -59.688 -7.028 1.00 0.00 H new ATOM 0 HE2 TYR B 46 4.572 -57.499 -5.197 1.00 0.00 H new ATOM 0 HH TYR B 46 5.049 -59.592 -4.682 1.00 0.00 H new ATOM 1546 N PRO B 47 6.044 -52.887 -10.244 1.00 0.00 N ATOM 1547 CA PRO B 47 6.281 -51.591 -10.885 1.00 0.00 C ATOM 1548 C PRO B 47 7.589 -50.949 -10.433 1.00 0.00 C ATOM 1549 O PRO B 47 8.338 -51.532 -9.648 1.00 0.00 O ATOM 1550 CB PRO B 47 5.088 -50.748 -10.432 1.00 0.00 C ATOM 1551 CG PRO B 47 4.665 -51.356 -9.141 1.00 0.00 C ATOM 1552 CD PRO B 47 4.946 -52.829 -9.263 1.00 0.00 C ATOM 0 HA PRO B 47 6.370 -51.683 -11.967 1.00 0.00 H new ATOM 0 HB2 PRO B 47 5.368 -49.702 -10.305 1.00 0.00 H new ATOM 0 HB3 PRO B 47 4.282 -50.775 -11.166 1.00 0.00 H new ATOM 0 HG2 PRO B 47 5.216 -50.922 -8.307 1.00 0.00 H new ATOM 0 HG3 PRO B 47 3.607 -51.175 -8.953 1.00 0.00 H new ATOM 0 HD2 PRO B 47 5.238 -53.263 -8.307 1.00 0.00 H new ATOM 0 HD3 PRO B 47 4.070 -53.378 -9.608 1.00 0.00 H new