USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 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 30 CYS SG : rot 130:sc= -1.01! USER MOD Set 1.2: A 62 CYS SG : rot 119:sc= -0.457 USER MOD Set 1.3: A 79 CYS SG : rot 106:sc= 0.833 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= 1.17 (180deg=0.736) USER MOD Single : A 17 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.22) USER MOD Single : A 18 GLN : amide:sc= -10! C(o=-10!,f=-24!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 33 ASN : amide:sc= -3.23! C(o=-3.2!,f=-17!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.791) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -120:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -3.82! K(o=-3.8!,f=-1.4) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.018) USER MOD Single : A 71 MET CE :methyl 157:sc= -1.92 (180deg=-2.89) USER MOD Single : A 74 THR OG1 : rot 90:sc= -0.325 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.228 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -93:sc= -1.81! USER MOD Single : A 83 GLN : amide:sc= -0.0309 K(o=-0.031,f=-1.2) USER MOD Single : A 86 THR OG1 : rot 60:sc= 0.00178 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -161:sc= -0.324 (180deg=-1.07) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -13.738 16.326 4.521 1.00 0.00 N ATOM 81 CA ALA A 9 -13.062 16.274 3.231 1.00 0.00 C ATOM 82 C ALA A 9 -13.554 15.093 2.401 1.00 0.00 C ATOM 83 O ALA A 9 -13.663 13.973 2.901 1.00 0.00 O ATOM 84 CB ALA A 9 -11.555 16.193 3.427 1.00 0.00 C ATOM 0 HA ALA A 9 -13.298 17.189 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.063 16.155 2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.211 17.071 3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.310 15.295 3.993 1.00 0.00 H new ATOM 90 N ARG A 10 -13.850 15.351 1.131 1.00 0.00 N ATOM 91 CA ARG A 10 -14.332 14.309 0.232 1.00 0.00 C ATOM 92 C ARG A 10 -13.266 13.942 -0.796 1.00 0.00 C ATOM 93 O ARG A 10 -12.464 14.783 -1.201 1.00 0.00 O ATOM 94 CB ARG A 10 -15.606 14.769 -0.480 1.00 0.00 C ATOM 95 CG ARG A 10 -15.416 16.024 -1.316 1.00 0.00 C ATOM 96 CD ARG A 10 -16.734 16.509 -1.900 1.00 0.00 C ATOM 97 NE ARG A 10 -16.734 17.951 -2.130 1.00 0.00 N ATOM 98 CZ ARG A 10 -17.032 18.845 -1.194 1.00 0.00 C ATOM 99 NH1 ARG A 10 -17.353 18.447 0.029 1.00 0.00 N ATOM 100 NH2 ARG A 10 -17.009 20.140 -1.481 1.00 0.00 N ATOM 0 H ARG A 10 -13.765 16.272 0.702 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.557 13.425 0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -15.963 13.965 -1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.382 14.952 0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.978 16.810 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.712 15.822 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.926 15.992 -2.840 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.548 16.250 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.492 18.290 -3.061 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.372 17.452 0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.581 19.136 0.746 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.762 20.450 -2.421 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.238 20.826 -0.762 1.00 0.00 H new ATOM 114 N PHE A 11 -13.264 12.680 -1.214 1.00 0.00 N ATOM 115 CA PHE A 11 -12.296 12.201 -2.193 1.00 0.00 C ATOM 116 C PHE A 11 -12.636 12.714 -3.590 1.00 0.00 C ATOM 117 O PHE A 11 -13.417 12.098 -4.315 1.00 0.00 O ATOM 118 CB PHE A 11 -12.256 10.671 -2.195 1.00 0.00 C ATOM 119 CG PHE A 11 -11.613 10.087 -0.970 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.234 10.064 -0.839 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.388 9.560 0.050 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.640 9.526 0.287 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.800 9.021 1.179 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.424 9.005 1.298 1.00 0.00 C ATOM 0 H PHE A 11 -13.922 11.971 -0.890 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.314 12.583 -1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.273 10.289 -2.279 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.714 10.331 -3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.616 10.471 -1.626 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.464 9.570 -0.038 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.564 9.513 0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.416 8.613 1.967 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.962 8.586 2.180 1.00 0.00 H new ATOM 134 N ILE A 12 -12.044 13.845 -3.958 1.00 0.00 N ATOM 135 CA ILE A 12 -12.283 14.441 -5.266 1.00 0.00 C ATOM 136 C ILE A 12 -11.873 13.490 -6.386 1.00 0.00 C ATOM 137 O ILE A 12 -12.481 13.478 -7.456 1.00 0.00 O ATOM 138 CB ILE A 12 -11.519 15.768 -5.429 1.00 0.00 C ATOM 139 CG1 ILE A 12 -10.015 15.539 -5.265 1.00 0.00 C ATOM 140 CG2 ILE A 12 -12.017 16.793 -4.421 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.173 16.713 -5.711 1.00 0.00 C ATOM 0 H ILE A 12 -11.395 14.367 -3.369 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.353 14.638 -5.332 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.702 16.155 -6.432 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.800 15.325 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.726 14.657 -5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.467 17.726 -4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.080 16.973 -4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.861 16.415 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.118 16.480 -5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.359 16.914 -6.766 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.434 17.593 -5.123 1.00 0.00 H new ATOM 153 N GLU A 13 -10.840 12.695 -6.131 1.00 0.00 N ATOM 154 CA GLU A 13 -10.349 11.740 -7.118 1.00 0.00 C ATOM 155 C GLU A 13 -10.324 10.327 -6.542 1.00 0.00 C ATOM 156 O GLU A 13 -9.862 10.110 -5.422 1.00 0.00 O ATOM 157 CB GLU A 13 -8.949 12.135 -7.591 1.00 0.00 C ATOM 158 CG GLU A 13 -8.953 13.140 -8.731 1.00 0.00 C ATOM 159 CD GLU A 13 -9.072 12.480 -10.091 1.00 0.00 C ATOM 160 OE1 GLU A 13 -8.629 11.321 -10.229 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.609 13.124 -11.016 1.00 0.00 O ATOM 0 H GLU A 13 -10.326 12.693 -5.250 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.029 11.755 -7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.395 12.554 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.416 11.239 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.782 13.835 -8.595 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.036 13.727 -8.696 1.00 0.00 H new ATOM 168 N ASP A 14 -10.822 9.370 -7.317 1.00 0.00 N ATOM 169 CA ASP A 14 -10.857 7.977 -6.885 1.00 0.00 C ATOM 170 C ASP A 14 -9.646 7.215 -7.413 1.00 0.00 C ATOM 171 O ASP A 14 -9.342 7.259 -8.605 1.00 0.00 O ATOM 172 CB ASP A 14 -12.146 7.305 -7.361 1.00 0.00 C ATOM 173 CG ASP A 14 -12.527 7.716 -8.770 1.00 0.00 C ATOM 174 OD1 ASP A 14 -13.129 8.799 -8.930 1.00 0.00 O ATOM 175 OD2 ASP A 14 -12.222 6.956 -9.712 1.00 0.00 O ATOM 0 H ASP A 14 -11.207 9.533 -8.247 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.829 7.959 -5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.024 6.223 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.958 7.559 -6.679 1.00 0.00 H new ATOM 180 N VAL A 15 -8.956 6.516 -6.517 1.00 0.00 N ATOM 181 CA VAL A 15 -7.778 5.743 -6.892 1.00 0.00 C ATOM 182 C VAL A 15 -8.046 4.899 -8.133 1.00 0.00 C ATOM 183 O VAL A 15 -9.197 4.660 -8.498 1.00 0.00 O ATOM 184 CB VAL A 15 -7.323 4.820 -5.745 1.00 0.00 C ATOM 185 CG1 VAL A 15 -6.956 5.637 -4.516 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.408 3.806 -5.417 1.00 0.00 C ATOM 0 H VAL A 15 -9.193 6.469 -5.526 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.985 6.460 -7.108 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.435 4.277 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.637 4.968 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.144 6.321 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.824 6.208 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.071 3.162 -4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.315 4.329 -5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.617 3.199 -6.298 1.00 0.00 H new ATOM 196 N LYS A 16 -6.975 4.450 -8.779 1.00 0.00 N ATOM 197 CA LYS A 16 -7.093 3.631 -9.979 1.00 0.00 C ATOM 198 C LYS A 16 -6.932 2.151 -9.646 1.00 0.00 C ATOM 199 O LYS A 16 -6.271 1.793 -8.671 1.00 0.00 O ATOM 200 CB LYS A 16 -6.044 4.049 -11.012 1.00 0.00 C ATOM 201 CG LYS A 16 -5.946 5.553 -11.205 1.00 0.00 C ATOM 202 CD LYS A 16 -7.284 6.151 -11.608 1.00 0.00 C ATOM 203 CE LYS A 16 -7.251 7.671 -11.559 1.00 0.00 C ATOM 204 NZ LYS A 16 -7.597 8.189 -10.206 1.00 0.00 N ATOM 0 H LYS A 16 -6.015 4.640 -8.491 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.088 3.785 -10.397 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.071 3.666 -10.704 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.282 3.583 -11.968 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.602 6.018 -10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.202 5.775 -11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.542 5.824 -12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.064 5.781 -10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.258 8.022 -11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.950 8.073 -12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.943 9.167 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.338 7.593 -9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.752 8.169 -9.600 1.00 0.00 H new ATOM 218 N ASN A 17 -7.539 1.296 -10.462 1.00 0.00 N ATOM 219 CA ASN A 17 -7.461 -0.146 -10.253 1.00 0.00 C ATOM 220 C ASN A 17 -6.021 -0.582 -9.999 1.00 0.00 C ATOM 221 O ASN A 17 -5.122 -0.270 -10.779 1.00 0.00 O ATOM 222 CB ASN A 17 -8.024 -0.888 -11.467 1.00 0.00 C ATOM 223 CG ASN A 17 -7.662 -0.215 -12.776 1.00 0.00 C ATOM 224 OD1 ASN A 17 -8.486 0.468 -13.385 1.00 0.00 O ATOM 225 ND2 ASN A 17 -6.423 -0.405 -13.217 1.00 0.00 N ATOM 0 H ASN A 17 -8.090 1.576 -11.274 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.057 -0.394 -9.375 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.647 -1.911 -11.471 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.109 -0.949 -11.381 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.122 0.023 -14.093 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.773 -0.979 -12.680 1.00 0.00 H new ATOM 232 N GLN A 18 -5.812 -1.305 -8.904 1.00 0.00 N ATOM 233 CA GLN A 18 -4.482 -1.783 -8.547 1.00 0.00 C ATOM 234 C GLN A 18 -4.203 -3.140 -9.185 1.00 0.00 C ATOM 235 O GLN A 18 -5.042 -4.040 -9.144 1.00 0.00 O ATOM 236 CB GLN A 18 -4.343 -1.883 -7.027 1.00 0.00 C ATOM 237 CG GLN A 18 -2.909 -1.767 -6.538 1.00 0.00 C ATOM 238 CD GLN A 18 -2.515 -0.339 -6.215 1.00 0.00 C ATOM 239 OE1 GLN A 18 -1.728 -0.092 -5.301 1.00 0.00 O ATOM 240 NE2 GLN A 18 -3.063 0.610 -6.965 1.00 0.00 N ATOM 0 H GLN A 18 -6.547 -1.573 -8.249 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.752 -1.067 -8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.941 -1.098 -6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.755 -2.836 -6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.781 -2.385 -5.649 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.237 -2.162 -7.300 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.710 0.359 -7.712 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.836 1.590 -6.794 1.00 0.00 H new ATOM 249 N GLU A 19 -3.019 -3.280 -9.773 1.00 0.00 N ATOM 250 CA GLU A 19 -2.631 -4.528 -10.420 1.00 0.00 C ATOM 251 C GLU A 19 -1.112 -4.666 -10.469 1.00 0.00 C ATOM 252 O GLU A 19 -0.413 -3.783 -10.965 1.00 0.00 O ATOM 253 CB GLU A 19 -3.205 -4.593 -11.837 1.00 0.00 C ATOM 254 CG GLU A 19 -2.768 -5.823 -12.615 1.00 0.00 C ATOM 255 CD GLU A 19 -3.170 -5.763 -14.076 1.00 0.00 C ATOM 256 OE1 GLU A 19 -2.551 -4.985 -14.831 1.00 0.00 O ATOM 257 OE2 GLU A 19 -4.104 -6.496 -14.464 1.00 0.00 O ATOM 0 H GLU A 19 -2.313 -2.545 -9.815 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.035 -5.353 -9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.293 -4.577 -11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.901 -3.701 -12.384 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.685 -5.927 -12.544 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.204 -6.711 -12.158 1.00 0.00 H new ATOM 264 N ALA A 20 -0.608 -5.780 -9.949 1.00 0.00 N ATOM 265 CA ALA A 20 0.827 -6.036 -9.933 1.00 0.00 C ATOM 266 C ALA A 20 1.118 -7.531 -9.854 1.00 0.00 C ATOM 267 O ALA A 20 0.334 -8.296 -9.293 1.00 0.00 O ATOM 268 CB ALA A 20 1.480 -5.307 -8.768 1.00 0.00 C ATOM 0 H ALA A 20 -1.173 -6.520 -9.533 1.00 0.00 H new ATOM 0 HA ALA A 20 1.248 -5.660 -10.865 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.551 -5.507 -8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.311 -4.235 -8.869 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.046 -5.656 -7.831 1.00 0.00 H new ATOM 274 N ARG A 21 2.249 -7.939 -10.420 1.00 0.00 N ATOM 275 CA ARG A 21 2.642 -9.343 -10.414 1.00 0.00 C ATOM 276 C ARG A 21 3.100 -9.775 -9.024 1.00 0.00 C ATOM 277 O ARG A 21 3.593 -8.961 -8.243 1.00 0.00 O ATOM 278 CB ARG A 21 3.760 -9.586 -11.430 1.00 0.00 C ATOM 279 CG ARG A 21 5.062 -8.883 -11.081 1.00 0.00 C ATOM 280 CD ARG A 21 6.259 -9.594 -11.691 1.00 0.00 C ATOM 281 NE ARG A 21 7.406 -8.703 -11.845 1.00 0.00 N ATOM 282 CZ ARG A 21 8.278 -8.454 -10.875 1.00 0.00 C ATOM 283 NH1 ARG A 21 8.137 -9.027 -9.688 1.00 0.00 N ATOM 284 NH2 ARG A 21 9.296 -7.630 -11.092 1.00 0.00 N ATOM 0 H ARG A 21 2.909 -7.318 -10.888 1.00 0.00 H new ATOM 0 HA ARG A 21 1.772 -9.938 -10.691 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.944 -10.658 -11.506 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.427 -9.250 -12.412 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.028 -7.854 -11.438 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.175 -8.841 -9.998 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.538 -10.439 -11.061 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.982 -10.000 -12.664 1.00 0.00 H new ATOM 0 HE ARG A 21 7.545 -8.247 -12.747 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.357 -9.661 -9.517 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.809 -8.833 -8.945 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.409 -7.188 -12.004 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.965 -7.439 -10.347 1.00 0.00 H new ATOM 298 N GLU A 22 2.932 -11.059 -8.723 1.00 0.00 N ATOM 299 CA GLU A 22 3.328 -11.596 -7.427 1.00 0.00 C ATOM 300 C GLU A 22 4.767 -11.212 -7.094 1.00 0.00 C ATOM 301 O GLU A 22 5.648 -11.265 -7.950 1.00 0.00 O ATOM 302 CB GLU A 22 3.179 -13.119 -7.415 1.00 0.00 C ATOM 303 CG GLU A 22 1.787 -13.592 -7.031 1.00 0.00 C ATOM 304 CD GLU A 22 1.681 -15.103 -6.969 1.00 0.00 C ATOM 305 OE1 GLU A 22 2.341 -15.779 -7.785 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.937 -15.610 -6.103 1.00 0.00 O ATOM 0 H GLU A 22 2.525 -11.745 -9.358 1.00 0.00 H new ATOM 0 HA GLU A 22 2.672 -11.167 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.426 -13.507 -8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.902 -13.541 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.520 -13.173 -6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.065 -13.210 -7.753 1.00 0.00 H new ATOM 313 N GLY A 23 4.995 -10.825 -5.843 1.00 0.00 N ATOM 314 CA GLY A 23 6.328 -10.436 -5.418 1.00 0.00 C ATOM 315 C GLY A 23 6.621 -8.975 -5.695 1.00 0.00 C ATOM 316 O GLY A 23 7.761 -8.607 -5.980 1.00 0.00 O ATOM 0 H GLY A 23 4.281 -10.774 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.437 -10.629 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.065 -11.055 -5.931 1.00 0.00 H new ATOM 320 N ALA A 24 5.591 -8.140 -5.613 1.00 0.00 N ATOM 321 CA ALA A 24 5.744 -6.711 -5.856 1.00 0.00 C ATOM 322 C ALA A 24 5.078 -5.892 -4.756 1.00 0.00 C ATOM 323 O ALA A 24 4.534 -6.444 -3.799 1.00 0.00 O ATOM 324 CB ALA A 24 5.166 -6.342 -7.214 1.00 0.00 C ATOM 0 H ALA A 24 4.641 -8.429 -5.380 1.00 0.00 H new ATOM 0 HA ALA A 24 6.809 -6.479 -5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.287 -5.272 -7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.690 -6.894 -7.995 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.106 -6.596 -7.239 1.00 0.00 H new ATOM 330 N THR A 25 5.126 -4.571 -4.896 1.00 0.00 N ATOM 331 CA THR A 25 4.529 -3.676 -3.913 1.00 0.00 C ATOM 332 C THR A 25 3.546 -2.714 -4.570 1.00 0.00 C ATOM 333 O THR A 25 3.947 -1.742 -5.209 1.00 0.00 O ATOM 334 CB THR A 25 5.605 -2.863 -3.168 1.00 0.00 C ATOM 335 OG1 THR A 25 6.559 -3.746 -2.568 1.00 0.00 O ATOM 336 CG2 THR A 25 4.974 -1.986 -2.097 1.00 0.00 C ATOM 0 H THR A 25 5.572 -4.097 -5.681 1.00 0.00 H new ATOM 0 HA THR A 25 3.996 -4.302 -3.198 1.00 0.00 H new ATOM 0 HB THR A 25 6.110 -2.221 -3.890 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.240 -3.221 -2.098 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.752 -1.421 -1.584 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.270 -1.295 -2.561 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.447 -2.613 -1.378 1.00 0.00 H new ATOM 344 N ALA A 26 2.256 -2.992 -4.408 1.00 0.00 N ATOM 345 CA ALA A 26 1.215 -2.150 -4.984 1.00 0.00 C ATOM 346 C ALA A 26 1.325 -0.717 -4.475 1.00 0.00 C ATOM 347 O ALA A 26 1.971 -0.455 -3.460 1.00 0.00 O ATOM 348 CB ALA A 26 -0.160 -2.720 -4.669 1.00 0.00 C ATOM 0 H ALA A 26 1.907 -3.794 -3.883 1.00 0.00 H new ATOM 0 HA ALA A 26 1.351 -2.136 -6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.928 -2.081 -5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.242 -3.723 -5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.296 -2.765 -3.589 1.00 0.00 H new ATOM 354 N VAL A 27 0.690 0.210 -5.186 1.00 0.00 N ATOM 355 CA VAL A 27 0.716 1.617 -4.805 1.00 0.00 C ATOM 356 C VAL A 27 -0.624 2.287 -5.087 1.00 0.00 C ATOM 357 O VAL A 27 -0.970 2.550 -6.240 1.00 0.00 O ATOM 358 CB VAL A 27 1.826 2.380 -5.552 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.754 3.867 -5.242 1.00 0.00 C ATOM 360 CG2 VAL A 27 3.193 1.818 -5.193 1.00 0.00 C ATOM 0 H VAL A 27 0.151 0.011 -6.029 1.00 0.00 H new ATOM 0 HA VAL A 27 0.918 1.652 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 27 1.675 2.249 -6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.546 4.389 -5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.785 4.257 -5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.879 4.022 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.965 2.369 -5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.357 1.917 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.238 0.765 -5.472 1.00 0.00 H new ATOM 370 N LEU A 28 -1.376 2.562 -4.027 1.00 0.00 N ATOM 371 CA LEU A 28 -2.680 3.203 -4.159 1.00 0.00 C ATOM 372 C LEU A 28 -2.596 4.685 -3.807 1.00 0.00 C ATOM 373 O LEU A 28 -2.271 5.046 -2.677 1.00 0.00 O ATOM 374 CB LEU A 28 -3.704 2.511 -3.259 1.00 0.00 C ATOM 375 CG LEU A 28 -4.308 1.215 -3.802 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.683 0.282 -2.662 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.522 1.515 -4.670 1.00 0.00 C ATOM 0 H LEU A 28 -1.105 2.351 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.998 3.112 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.229 2.294 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.515 3.211 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.559 0.718 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.111 -0.635 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.793 0.041 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.415 0.770 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.939 0.581 -5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.274 2.034 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.223 2.144 -5.508 1.00 0.00 H new ATOM 389 N GLN A 29 -2.893 5.538 -4.783 1.00 0.00 N ATOM 390 CA GLN A 29 -2.853 6.980 -4.575 1.00 0.00 C ATOM 391 C GLN A 29 -4.238 7.594 -4.748 1.00 0.00 C ATOM 392 O GLN A 29 -5.031 7.139 -5.574 1.00 0.00 O ATOM 393 CB GLN A 29 -1.869 7.630 -5.549 1.00 0.00 C ATOM 394 CG GLN A 29 -0.415 7.287 -5.265 1.00 0.00 C ATOM 395 CD GLN A 29 0.545 7.993 -6.202 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.522 9.218 -6.326 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.396 7.222 -6.868 1.00 0.00 N ATOM 0 H GLN A 29 -3.164 5.255 -5.725 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.519 7.165 -3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.116 7.318 -6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.993 8.712 -5.509 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.176 7.556 -4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.276 6.209 -5.353 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.380 6.211 -6.734 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.066 7.641 -7.513 1.00 0.00 H new ATOM 406 N CYS A 30 -4.524 8.628 -3.965 1.00 0.00 N ATOM 407 CA CYS A 30 -5.815 9.304 -4.031 1.00 0.00 C ATOM 408 C CYS A 30 -5.664 10.794 -3.739 1.00 0.00 C ATOM 409 O CYS A 30 -4.580 11.261 -3.392 1.00 0.00 O ATOM 410 CB CYS A 30 -6.794 8.675 -3.040 1.00 0.00 C ATOM 411 SG CYS A 30 -6.632 9.292 -1.348 1.00 0.00 S ATOM 0 H CYS A 30 -3.879 9.017 -3.277 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.207 9.188 -5.041 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.811 8.857 -3.386 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.647 7.595 -3.037 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.800 9.651 -0.903 1.00 0.00 H new ATOM 417 N GLU A 31 -6.759 11.534 -3.885 1.00 0.00 N ATOM 418 CA GLU A 31 -6.747 12.971 -3.639 1.00 0.00 C ATOM 419 C GLU A 31 -7.957 13.391 -2.810 1.00 0.00 C ATOM 420 O GLU A 31 -8.954 12.671 -2.737 1.00 0.00 O ATOM 421 CB GLU A 31 -6.730 13.737 -4.963 1.00 0.00 C ATOM 422 CG GLU A 31 -6.149 15.136 -4.850 1.00 0.00 C ATOM 423 CD GLU A 31 -5.816 15.741 -6.200 1.00 0.00 C ATOM 424 OE1 GLU A 31 -5.508 14.974 -7.135 1.00 0.00 O ATOM 425 OE2 GLU A 31 -5.865 16.984 -6.321 1.00 0.00 O ATOM 0 H GLU A 31 -7.664 11.162 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.844 13.211 -3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.152 13.171 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.748 13.806 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.860 15.780 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.247 15.102 -4.239 1.00 0.00 H new ATOM 432 N LEU A 32 -7.863 14.561 -2.188 1.00 0.00 N ATOM 433 CA LEU A 32 -8.950 15.079 -1.364 1.00 0.00 C ATOM 434 C LEU A 32 -9.228 16.544 -1.687 1.00 0.00 C ATOM 435 O LEU A 32 -8.341 17.270 -2.134 1.00 0.00 O ATOM 436 CB LEU A 32 -8.608 14.928 0.119 1.00 0.00 C ATOM 437 CG LEU A 32 -8.451 13.495 0.630 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.543 13.460 1.849 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.810 12.894 0.956 1.00 0.00 C ATOM 0 H LEU A 32 -7.046 15.169 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.847 14.501 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.680 15.465 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.388 15.417 0.703 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.991 12.897 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.443 12.433 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.561 13.850 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.974 14.073 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.679 11.874 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.297 13.493 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.428 12.884 0.058 1.00 0.00 H new ATOM 451 N ASN A 33 -10.465 16.971 -1.455 1.00 0.00 N ATOM 452 CA ASN A 33 -10.860 18.350 -1.720 1.00 0.00 C ATOM 453 C ASN A 33 -10.140 19.312 -0.780 1.00 0.00 C ATOM 454 O ASN A 33 -9.967 20.489 -1.094 1.00 0.00 O ATOM 455 CB ASN A 33 -12.374 18.507 -1.567 1.00 0.00 C ATOM 456 CG ASN A 33 -12.853 18.160 -0.170 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.212 17.389 0.544 1.00 0.00 O ATOM 458 ND2 ASN A 33 -13.985 18.730 0.225 1.00 0.00 N ATOM 0 H ASN A 33 -11.211 16.382 -1.084 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.578 18.592 -2.745 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.655 19.534 -1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.878 17.866 -2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.357 18.535 1.155 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.483 19.363 -0.401 1.00 0.00 H new ATOM 465 N SER A 34 -9.721 18.801 0.373 1.00 0.00 N ATOM 466 CA SER A 34 -9.022 19.615 1.361 1.00 0.00 C ATOM 467 C SER A 34 -8.099 18.755 2.219 1.00 0.00 C ATOM 468 O SER A 34 -8.347 17.566 2.417 1.00 0.00 O ATOM 469 CB SER A 34 -10.027 20.350 2.251 1.00 0.00 C ATOM 470 OG SER A 34 -9.450 21.513 2.818 1.00 0.00 O ATOM 0 H SER A 34 -9.853 17.827 0.646 1.00 0.00 H new ATOM 0 HA SER A 34 -8.416 20.348 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.904 20.624 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.369 19.686 3.045 1.00 0.00 H new ATOM 0 HG SER A 34 -10.112 21.966 3.381 1.00 0.00 H new ATOM 476 N ALA A 35 -7.033 19.366 2.726 1.00 0.00 N ATOM 477 CA ALA A 35 -6.074 18.658 3.565 1.00 0.00 C ATOM 478 C ALA A 35 -6.778 17.899 4.684 1.00 0.00 C ATOM 479 O ALA A 35 -7.334 18.502 5.602 1.00 0.00 O ATOM 480 CB ALA A 35 -5.059 19.633 4.143 1.00 0.00 C ATOM 0 H ALA A 35 -6.812 20.350 2.570 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.551 17.932 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.349 19.091 4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.525 20.127 3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.575 20.381 4.745 1.00 0.00 H new ATOM 486 N ALA A 36 -6.752 16.573 4.600 1.00 0.00 N ATOM 487 CA ALA A 36 -7.387 15.731 5.607 1.00 0.00 C ATOM 488 C ALA A 36 -6.803 14.323 5.592 1.00 0.00 C ATOM 489 O ALA A 36 -6.343 13.826 4.564 1.00 0.00 O ATOM 490 CB ALA A 36 -8.891 15.684 5.383 1.00 0.00 C ATOM 0 H ALA A 36 -6.298 16.059 3.845 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.191 16.167 6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.352 15.052 6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.301 16.692 5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.099 15.275 4.394 1.00 0.00 H new ATOM 496 N PRO A 37 -6.821 13.662 6.759 1.00 0.00 N ATOM 497 CA PRO A 37 -6.297 12.301 6.906 1.00 0.00 C ATOM 498 C PRO A 37 -7.163 11.266 6.195 1.00 0.00 C ATOM 499 O PRO A 37 -8.214 11.594 5.645 1.00 0.00 O ATOM 500 CB PRO A 37 -6.325 12.071 8.419 1.00 0.00 C ATOM 501 CG PRO A 37 -7.389 12.985 8.922 1.00 0.00 C ATOM 502 CD PRO A 37 -7.355 14.192 8.025 1.00 0.00 C ATOM 0 HA PRO A 37 -5.307 12.196 6.463 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.551 11.032 8.657 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.360 12.299 8.872 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.366 12.502 8.890 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.205 13.264 9.959 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.348 14.623 7.893 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.718 14.977 8.432 1.00 0.00 H new ATOM 510 N VAL A 38 -6.714 10.015 6.210 1.00 0.00 N ATOM 511 CA VAL A 38 -7.449 8.932 5.567 1.00 0.00 C ATOM 512 C VAL A 38 -7.203 7.605 6.276 1.00 0.00 C ATOM 513 O VAL A 38 -6.414 7.530 7.218 1.00 0.00 O ATOM 514 CB VAL A 38 -7.057 8.790 4.084 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.434 10.043 3.310 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.570 8.498 3.952 1.00 0.00 C ATOM 0 H VAL A 38 -5.845 9.726 6.660 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.507 9.185 5.632 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.607 7.951 3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.149 9.924 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.510 10.202 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.913 10.902 3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.310 8.401 2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.998 9.315 4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.334 7.569 4.471 1.00 0.00 H new ATOM 526 N GLU A 39 -7.883 6.559 5.816 1.00 0.00 N ATOM 527 CA GLU A 39 -7.737 5.234 6.407 1.00 0.00 C ATOM 528 C GLU A 39 -7.982 4.144 5.367 1.00 0.00 C ATOM 529 O GLU A 39 -9.122 3.886 4.980 1.00 0.00 O ATOM 530 CB GLU A 39 -8.708 5.064 7.577 1.00 0.00 C ATOM 531 CG GLU A 39 -8.296 3.977 8.556 1.00 0.00 C ATOM 532 CD GLU A 39 -8.793 4.242 9.964 1.00 0.00 C ATOM 533 OE1 GLU A 39 -9.842 4.903 10.109 1.00 0.00 O ATOM 534 OE2 GLU A 39 -8.132 3.786 10.921 1.00 0.00 O ATOM 0 H GLU A 39 -8.540 6.604 5.037 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.715 5.139 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.790 6.011 8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.699 4.832 7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.683 3.018 8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.209 3.896 8.567 1.00 0.00 H new ATOM 541 N TRP A 40 -6.905 3.510 4.919 1.00 0.00 N ATOM 542 CA TRP A 40 -7.002 2.449 3.923 1.00 0.00 C ATOM 543 C TRP A 40 -7.585 1.180 4.535 1.00 0.00 C ATOM 544 O TRP A 40 -7.108 0.700 5.563 1.00 0.00 O ATOM 545 CB TRP A 40 -5.625 2.155 3.324 1.00 0.00 C ATOM 546 CG TRP A 40 -5.005 3.342 2.651 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.191 4.277 3.224 1.00 0.00 C ATOM 548 CD2 TRP A 40 -5.151 3.722 1.278 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.822 5.215 2.290 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.397 4.896 1.088 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.843 3.183 0.191 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.318 5.539 -0.144 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.765 3.823 -1.032 1.00 0.00 C ATOM 554 CH2 TRP A 40 -5.006 4.990 -1.192 1.00 0.00 C ATOM 0 H TRP A 40 -5.955 3.712 5.229 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.670 2.788 3.131 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.960 1.806 4.114 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.716 1.343 2.602 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.883 4.279 4.259 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.218 6.018 2.463 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.428 2.282 0.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.734 6.439 -0.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.298 3.417 -1.879 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.963 5.465 -2.161 1.00 0.00 H new ATOM 565 N ARG A 41 -8.618 0.641 3.896 1.00 0.00 N ATOM 566 CA ARG A 41 -9.266 -0.573 4.379 1.00 0.00 C ATOM 567 C ARG A 41 -9.013 -1.739 3.429 1.00 0.00 C ATOM 568 O ARG A 41 -8.506 -1.555 2.322 1.00 0.00 O ATOM 569 CB ARG A 41 -10.771 -0.345 4.535 1.00 0.00 C ATOM 570 CG ARG A 41 -11.137 0.497 5.746 1.00 0.00 C ATOM 571 CD ARG A 41 -12.520 0.146 6.271 1.00 0.00 C ATOM 572 NE ARG A 41 -12.724 0.620 7.637 1.00 0.00 N ATOM 573 CZ ARG A 41 -13.661 0.143 8.449 1.00 0.00 C ATOM 574 NH1 ARG A 41 -14.476 -0.817 8.034 1.00 0.00 N ATOM 575 NH2 ARG A 41 -13.784 0.626 9.679 1.00 0.00 N ATOM 0 H ARG A 41 -9.024 1.025 3.043 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.840 -0.820 5.351 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.151 0.141 3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.270 -1.311 4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.398 0.345 6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.105 1.553 5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.277 0.583 5.619 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.656 -0.935 6.238 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.113 1.358 7.987 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.384 -1.191 7.089 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.195 -1.182 8.659 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.159 1.364 10.002 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.504 0.259 10.301 1.00 0.00 H new ATOM 589 N LYS A 42 -9.369 -2.942 3.869 1.00 0.00 N ATOM 590 CA LYS A 42 -9.182 -4.140 3.059 1.00 0.00 C ATOM 591 C LYS A 42 -10.426 -5.021 3.096 1.00 0.00 C ATOM 592 O LYS A 42 -10.577 -5.862 3.981 1.00 0.00 O ATOM 593 CB LYS A 42 -7.968 -4.930 3.553 1.00 0.00 C ATOM 594 CG LYS A 42 -7.844 -6.309 2.928 1.00 0.00 C ATOM 595 CD LYS A 42 -6.397 -6.769 2.874 1.00 0.00 C ATOM 596 CE LYS A 42 -6.183 -7.810 1.787 1.00 0.00 C ATOM 597 NZ LYS A 42 -5.055 -8.727 2.111 1.00 0.00 N ATOM 0 H LYS A 42 -9.789 -3.113 4.783 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.010 -3.829 2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.063 -4.361 3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.030 -5.035 4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.433 -7.024 3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.259 -6.291 1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.748 -5.912 2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.110 -7.186 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.096 -8.390 1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.984 -7.310 0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.216 -9.649 1.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.165 -8.320 1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.995 -8.853 3.142 1.00 0.00 H new ATOM 611 N GLY A 43 -11.315 -4.824 2.127 1.00 0.00 N ATOM 612 CA GLY A 43 -12.534 -5.609 2.067 1.00 0.00 C ATOM 613 C GLY A 43 -13.495 -5.275 3.191 1.00 0.00 C ATOM 614 O GLY A 43 -14.431 -4.498 3.005 1.00 0.00 O ATOM 0 H GLY A 43 -11.213 -4.135 1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.026 -5.438 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.283 -6.669 2.111 1.00 0.00 H new ATOM 618 N SER A 44 -13.264 -5.865 4.359 1.00 0.00 N ATOM 619 CA SER A 44 -14.121 -5.629 5.516 1.00 0.00 C ATOM 620 C SER A 44 -13.286 -5.393 6.771 1.00 0.00 C ATOM 621 O SER A 44 -13.710 -5.713 7.881 1.00 0.00 O ATOM 622 CB SER A 44 -15.060 -6.817 5.731 1.00 0.00 C ATOM 623 OG SER A 44 -14.341 -7.971 6.132 1.00 0.00 O ATOM 0 H SER A 44 -12.492 -6.509 4.530 1.00 0.00 H new ATOM 0 HA SER A 44 -14.715 -4.736 5.322 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.802 -6.565 6.489 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.604 -7.026 4.810 1.00 0.00 H new ATOM 0 HG SER A 44 -14.965 -8.715 6.264 1.00 0.00 H new ATOM 629 N GLU A 45 -12.096 -4.831 6.585 1.00 0.00 N ATOM 630 CA GLU A 45 -11.200 -4.552 7.702 1.00 0.00 C ATOM 631 C GLU A 45 -10.485 -3.218 7.506 1.00 0.00 C ATOM 632 O GLU A 45 -10.605 -2.584 6.457 1.00 0.00 O ATOM 633 CB GLU A 45 -10.174 -5.676 7.854 1.00 0.00 C ATOM 634 CG GLU A 45 -9.021 -5.586 6.869 1.00 0.00 C ATOM 635 CD GLU A 45 -7.883 -6.527 7.215 1.00 0.00 C ATOM 636 OE1 GLU A 45 -8.126 -7.749 7.295 1.00 0.00 O ATOM 637 OE2 GLU A 45 -6.749 -6.040 7.404 1.00 0.00 O ATOM 0 H GLU A 45 -11.730 -4.560 5.672 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.800 -4.493 8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.776 -5.658 8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.676 -6.635 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.385 -5.815 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.647 -4.562 6.846 1.00 0.00 H new ATOM 644 N THR A 46 -9.739 -2.798 8.523 1.00 0.00 N ATOM 645 CA THR A 46 -9.006 -1.540 8.465 1.00 0.00 C ATOM 646 C THR A 46 -7.501 -1.779 8.502 1.00 0.00 C ATOM 647 O THR A 46 -7.017 -2.646 9.232 1.00 0.00 O ATOM 648 CB THR A 46 -9.395 -0.608 9.628 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.819 -0.470 9.689 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.754 0.761 9.462 1.00 0.00 C ATOM 0 H THR A 46 -9.627 -3.311 9.397 1.00 0.00 H new ATOM 0 HA THR A 46 -9.273 -1.062 7.522 1.00 0.00 H new ATOM 0 HB THR A 46 -9.033 -1.050 10.556 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.059 0.123 10.432 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.043 1.402 10.295 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.669 0.655 9.445 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.089 1.209 8.527 1.00 0.00 H new ATOM 658 N LEU A 47 -6.764 -1.005 7.713 1.00 0.00 N ATOM 659 CA LEU A 47 -5.312 -1.133 7.657 1.00 0.00 C ATOM 660 C LEU A 47 -4.635 0.022 8.388 1.00 0.00 C ATOM 661 O LEU A 47 -5.269 1.033 8.694 1.00 0.00 O ATOM 662 CB LEU A 47 -4.840 -1.177 6.202 1.00 0.00 C ATOM 663 CG LEU A 47 -5.662 -2.053 5.256 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.179 -1.891 3.823 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.592 -3.511 5.684 1.00 0.00 C ATOM 0 H LEU A 47 -7.148 -0.283 7.104 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.035 -2.064 8.151 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.836 -0.159 5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.808 -1.528 6.186 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.702 -1.731 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.776 -2.522 3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.283 -0.849 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.132 -2.185 3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.183 -4.120 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.555 -3.846 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.988 -3.613 6.694 1.00 0.00 H new ATOM 677 N ARG A 48 -3.344 -0.133 8.662 1.00 0.00 N ATOM 678 CA ARG A 48 -2.581 0.897 9.357 1.00 0.00 C ATOM 679 C ARG A 48 -1.110 0.849 8.953 1.00 0.00 C ATOM 680 O ARG A 48 -0.549 -0.226 8.741 1.00 0.00 O ATOM 681 CB ARG A 48 -2.712 0.726 10.871 1.00 0.00 C ATOM 682 CG ARG A 48 -4.087 1.086 11.408 1.00 0.00 C ATOM 683 CD ARG A 48 -4.326 2.587 11.367 1.00 0.00 C ATOM 684 NE ARG A 48 -3.782 3.261 12.543 1.00 0.00 N ATOM 685 CZ ARG A 48 -3.656 4.579 12.642 1.00 0.00 C ATOM 686 NH1 ARG A 48 -4.033 5.362 11.640 1.00 0.00 N ATOM 687 NH2 ARG A 48 -3.151 5.118 13.744 1.00 0.00 N ATOM 0 H ARG A 48 -2.804 -0.962 8.413 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.987 1.868 9.073 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.489 -0.309 11.132 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.965 1.347 11.364 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.852 0.579 10.821 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.183 0.729 12.433 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.870 3.002 10.468 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.396 2.782 11.300 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.482 2.688 13.332 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.421 4.952 10.790 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.935 6.374 11.719 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.859 4.520 14.517 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.055 6.131 13.819 1.00 0.00 H new ATOM 701 N ASP A 49 -0.492 2.020 8.849 1.00 0.00 N ATOM 702 CA ASP A 49 0.914 2.112 8.472 1.00 0.00 C ATOM 703 C ASP A 49 1.775 1.226 9.367 1.00 0.00 C ATOM 704 O ASP A 49 1.798 1.393 10.586 1.00 0.00 O ATOM 705 CB ASP A 49 1.393 3.562 8.556 1.00 0.00 C ATOM 706 CG ASP A 49 1.664 4.001 9.981 1.00 0.00 C ATOM 707 OD1 ASP A 49 0.700 4.384 10.678 1.00 0.00 O ATOM 708 OD2 ASP A 49 2.839 3.961 10.401 1.00 0.00 O ATOM 0 H ASP A 49 -0.942 2.919 9.020 1.00 0.00 H new ATOM 0 HA ASP A 49 1.013 1.764 7.444 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.302 3.676 7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.641 4.216 8.114 1.00 0.00 H new ATOM 713 N GLY A 50 2.483 0.283 8.752 1.00 0.00 N ATOM 714 CA GLY A 50 3.335 -0.616 9.509 1.00 0.00 C ATOM 715 C GLY A 50 4.534 -1.088 8.710 1.00 0.00 C ATOM 716 O GLY A 50 5.268 -0.278 8.144 1.00 0.00 O ATOM 0 H GLY A 50 2.482 0.126 7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.680 -0.111 10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.753 -1.480 9.829 1.00 0.00 H new ATOM 720 N ASP A 51 4.733 -2.400 8.664 1.00 0.00 N ATOM 721 CA ASP A 51 5.852 -2.979 7.929 1.00 0.00 C ATOM 722 C ASP A 51 5.473 -3.232 6.474 1.00 0.00 C ATOM 723 O ASP A 51 6.125 -2.734 5.556 1.00 0.00 O ATOM 724 CB ASP A 51 6.302 -4.284 8.587 1.00 0.00 C ATOM 725 CG ASP A 51 7.781 -4.551 8.392 1.00 0.00 C ATOM 726 OD1 ASP A 51 8.580 -3.603 8.548 1.00 0.00 O ATOM 727 OD2 ASP A 51 8.141 -5.707 8.084 1.00 0.00 O ATOM 0 H ASP A 51 4.134 -3.084 9.127 1.00 0.00 H new ATOM 0 HA ASP A 51 6.677 -2.267 7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.080 -4.245 9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.728 -5.113 8.172 1.00 0.00 H new ATOM 732 N ARG A 52 4.415 -4.011 6.270 1.00 0.00 N ATOM 733 CA ARG A 52 3.950 -4.333 4.926 1.00 0.00 C ATOM 734 C ARG A 52 3.241 -3.138 4.296 1.00 0.00 C ATOM 735 O ARG A 52 3.440 -2.834 3.119 1.00 0.00 O ATOM 736 CB ARG A 52 3.008 -5.537 4.964 1.00 0.00 C ATOM 737 CG ARG A 52 3.720 -6.872 4.814 1.00 0.00 C ATOM 738 CD ARG A 52 2.825 -7.910 4.155 1.00 0.00 C ATOM 739 NE ARG A 52 2.028 -8.646 5.134 1.00 0.00 N ATOM 740 CZ ARG A 52 1.483 -9.833 4.893 1.00 0.00 C ATOM 741 NH1 ARG A 52 1.647 -10.415 3.714 1.00 0.00 N ATOM 742 NH2 ARG A 52 0.771 -10.440 5.835 1.00 0.00 N ATOM 0 H ARG A 52 3.864 -4.431 7.019 1.00 0.00 H new ATOM 0 HA ARG A 52 4.819 -4.580 4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.461 -5.530 5.907 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.271 -5.436 4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.624 -6.739 4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.034 -7.230 5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.162 -7.418 3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.438 -8.610 3.587 1.00 0.00 H new ATOM 0 HE ARG A 52 1.882 -8.226 6.052 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.193 -9.951 2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.227 -11.327 3.532 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.643 -9.995 6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.352 -11.352 5.650 1.00 0.00 H new ATOM 756 N TYR A 53 2.412 -2.465 5.086 1.00 0.00 N ATOM 757 CA TYR A 53 1.670 -1.305 4.604 1.00 0.00 C ATOM 758 C TYR A 53 2.465 -0.021 4.822 1.00 0.00 C ATOM 759 O TYR A 53 3.085 0.169 5.868 1.00 0.00 O ATOM 760 CB TYR A 53 0.318 -1.208 5.314 1.00 0.00 C ATOM 761 CG TYR A 53 -0.568 -2.413 5.097 1.00 0.00 C ATOM 762 CD1 TYR A 53 -0.809 -2.901 3.818 1.00 0.00 C ATOM 763 CD2 TYR A 53 -1.165 -3.064 6.169 1.00 0.00 C ATOM 764 CE1 TYR A 53 -1.619 -4.002 3.615 1.00 0.00 C ATOM 765 CE2 TYR A 53 -1.975 -4.166 5.975 1.00 0.00 C ATOM 766 CZ TYR A 53 -2.199 -4.631 4.696 1.00 0.00 C ATOM 767 OH TYR A 53 -3.006 -5.728 4.499 1.00 0.00 O ATOM 0 H TYR A 53 2.237 -2.702 6.062 1.00 0.00 H new ATOM 0 HA TYR A 53 1.503 -1.430 3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.487 -1.080 6.383 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.203 -0.317 4.965 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.356 -2.412 2.969 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.993 -2.702 7.172 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.797 -4.368 2.615 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.430 -4.661 6.820 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.334 -6.052 5.364 1.00 0.00 H new ATOM 777 N SER A 54 2.441 0.857 3.824 1.00 0.00 N ATOM 778 CA SER A 54 3.162 2.123 3.903 1.00 0.00 C ATOM 779 C SER A 54 2.275 3.282 3.459 1.00 0.00 C ATOM 780 O SER A 54 2.138 3.552 2.265 1.00 0.00 O ATOM 781 CB SER A 54 4.423 2.070 3.039 1.00 0.00 C ATOM 782 OG SER A 54 4.939 0.752 2.969 1.00 0.00 O ATOM 0 H SER A 54 1.931 0.715 2.952 1.00 0.00 H new ATOM 0 HA SER A 54 3.449 2.286 4.942 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.195 2.428 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.179 2.738 3.452 1.00 0.00 H new ATOM 0 HG SER A 54 5.851 0.738 3.327 1.00 0.00 H new ATOM 788 N LEU A 55 1.673 3.963 4.427 1.00 0.00 N ATOM 789 CA LEU A 55 0.798 5.094 4.138 1.00 0.00 C ATOM 790 C LEU A 55 1.571 6.408 4.191 1.00 0.00 C ATOM 791 O LEU A 55 2.126 6.771 5.227 1.00 0.00 O ATOM 792 CB LEU A 55 -0.364 5.132 5.132 1.00 0.00 C ATOM 793 CG LEU A 55 -0.901 3.776 5.590 1.00 0.00 C ATOM 794 CD1 LEU A 55 -1.941 3.955 6.685 1.00 0.00 C ATOM 795 CD2 LEU A 55 -1.490 3.010 4.413 1.00 0.00 C ATOM 0 H LEU A 55 1.775 3.752 5.420 1.00 0.00 H new ATOM 0 HA LEU A 55 0.402 4.967 3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.044 5.690 6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.184 5.691 4.681 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.071 3.197 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.312 2.979 6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.488 4.462 7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.770 4.553 6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.867 2.047 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.307 3.585 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.718 2.849 3.661 1.00 0.00 H new ATOM 807 N ARG A 56 1.600 7.116 3.067 1.00 0.00 N ATOM 808 CA ARG A 56 2.304 8.391 2.985 1.00 0.00 C ATOM 809 C ARG A 56 1.404 9.471 2.393 1.00 0.00 C ATOM 810 O ARG A 56 1.089 9.446 1.203 1.00 0.00 O ATOM 811 CB ARG A 56 3.570 8.245 2.139 1.00 0.00 C ATOM 812 CG ARG A 56 4.713 7.555 2.866 1.00 0.00 C ATOM 813 CD ARG A 56 6.024 7.706 2.112 1.00 0.00 C ATOM 814 NE ARG A 56 7.181 7.561 2.991 1.00 0.00 N ATOM 815 CZ ARG A 56 8.374 8.083 2.728 1.00 0.00 C ATOM 816 NH1 ARG A 56 8.566 8.780 1.617 1.00 0.00 N ATOM 817 NH2 ARG A 56 9.378 7.908 3.578 1.00 0.00 N ATOM 0 H ARG A 56 1.145 6.829 2.201 1.00 0.00 H new ATOM 0 HA ARG A 56 2.584 8.690 3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.331 7.681 1.237 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.899 9.234 1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.817 7.976 3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.482 6.497 2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.075 6.959 1.320 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.055 8.683 1.631 1.00 0.00 H new ATOM 0 HE ARG A 56 7.067 7.030 3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.797 8.917 0.961 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.483 9.180 1.418 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.234 7.372 4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.294 8.309 3.375 1.00 0.00 H new ATOM 831 N GLN A 57 0.995 10.418 3.231 1.00 0.00 N ATOM 832 CA GLN A 57 0.131 11.507 2.790 1.00 0.00 C ATOM 833 C GLN A 57 0.909 12.815 2.696 1.00 0.00 C ATOM 834 O GLN A 57 1.823 13.063 3.483 1.00 0.00 O ATOM 835 CB GLN A 57 -1.050 11.669 3.748 1.00 0.00 C ATOM 836 CG GLN A 57 -1.947 12.851 3.414 1.00 0.00 C ATOM 837 CD GLN A 57 -2.675 13.392 4.629 1.00 0.00 C ATOM 838 OE1 GLN A 57 -2.063 13.976 5.524 1.00 0.00 O ATOM 839 NE2 GLN A 57 -3.988 13.201 4.666 1.00 0.00 N ATOM 0 H GLN A 57 1.248 10.453 4.219 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.247 11.259 1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.646 10.756 3.735 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.670 11.787 4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.346 13.645 2.972 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.677 12.548 2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.454 12.712 3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.531 13.544 5.458 1.00 0.00 H new ATOM 848 N ASP A 58 0.540 13.649 1.730 1.00 0.00 N ATOM 849 CA ASP A 58 1.203 14.933 1.534 1.00 0.00 C ATOM 850 C ASP A 58 0.180 16.048 1.339 1.00 0.00 C ATOM 851 O ASP A 58 0.017 16.569 0.236 1.00 0.00 O ATOM 852 CB ASP A 58 2.141 14.869 0.328 1.00 0.00 C ATOM 853 CG ASP A 58 3.330 15.798 0.469 1.00 0.00 C ATOM 854 OD1 ASP A 58 3.214 16.802 1.203 1.00 0.00 O ATOM 855 OD2 ASP A 58 4.376 15.523 -0.155 1.00 0.00 O ATOM 0 H ASP A 58 -0.215 13.459 1.071 1.00 0.00 H new ATOM 0 HA ASP A 58 1.788 15.152 2.428 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.496 13.846 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.586 15.128 -0.574 1.00 0.00 H new ATOM 860 N GLY A 59 -0.508 16.409 2.418 1.00 0.00 N ATOM 861 CA GLY A 59 -1.507 17.459 2.344 1.00 0.00 C ATOM 862 C GLY A 59 -2.876 16.931 1.966 1.00 0.00 C ATOM 863 O GLY A 59 -3.673 16.570 2.833 1.00 0.00 O ATOM 0 H GLY A 59 -0.391 15.993 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.570 17.965 3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.193 18.204 1.612 1.00 0.00 H new ATOM 867 N THR A 60 -3.153 16.886 0.667 1.00 0.00 N ATOM 868 CA THR A 60 -4.437 16.401 0.175 1.00 0.00 C ATOM 869 C THR A 60 -4.284 15.056 -0.526 1.00 0.00 C ATOM 870 O THR A 60 -5.238 14.283 -0.625 1.00 0.00 O ATOM 871 CB THR A 60 -5.081 17.405 -0.799 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.127 17.810 -1.787 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.597 18.627 -0.054 1.00 0.00 C ATOM 0 H THR A 60 -2.505 17.180 -0.064 1.00 0.00 H new ATOM 0 HA THR A 60 -5.085 16.283 1.044 1.00 0.00 H new ATOM 0 HB THR A 60 -5.923 16.915 -1.287 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.545 18.447 -2.403 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.047 19.322 -0.763 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.345 18.319 0.677 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.769 19.117 0.458 1.00 0.00 H new ATOM 881 N LYS A 61 -3.079 14.781 -1.012 1.00 0.00 N ATOM 882 CA LYS A 61 -2.800 13.528 -1.703 1.00 0.00 C ATOM 883 C LYS A 61 -2.398 12.438 -0.714 1.00 0.00 C ATOM 884 O LYS A 61 -1.838 12.724 0.345 1.00 0.00 O ATOM 885 CB LYS A 61 -1.688 13.728 -2.736 1.00 0.00 C ATOM 886 CG LYS A 61 -2.143 14.467 -3.983 1.00 0.00 C ATOM 887 CD LYS A 61 -1.050 14.505 -5.038 1.00 0.00 C ATOM 888 CE LYS A 61 -1.453 15.363 -6.227 1.00 0.00 C ATOM 889 NZ LYS A 61 -0.305 15.620 -7.140 1.00 0.00 N ATOM 0 H LYS A 61 -2.279 15.410 -0.940 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.710 13.214 -2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.870 14.281 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.292 12.754 -3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.029 13.981 -4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.431 15.485 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.133 14.897 -4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.834 13.492 -5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.252 14.867 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.853 16.312 -5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.621 16.208 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.447 16.116 -6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.061 14.716 -7.500 1.00 0.00 H new ATOM 903 N CYS A 62 -2.687 11.190 -1.066 1.00 0.00 N ATOM 904 CA CYS A 62 -2.355 10.058 -0.209 1.00 0.00 C ATOM 905 C CYS A 62 -1.596 8.989 -0.989 1.00 0.00 C ATOM 906 O CYS A 62 -1.416 9.103 -2.201 1.00 0.00 O ATOM 907 CB CYS A 62 -3.626 9.460 0.395 1.00 0.00 C ATOM 908 SG CYS A 62 -4.653 10.653 1.284 1.00 0.00 S ATOM 0 H CYS A 62 -3.150 10.937 -1.939 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.714 10.418 0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.218 9.011 -0.402 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.348 8.657 1.077 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.824 10.720 0.724 1.00 0.00 H new ATOM 914 N GLU A 63 -1.154 7.952 -0.285 1.00 0.00 N ATOM 915 CA GLU A 63 -0.412 6.864 -0.913 1.00 0.00 C ATOM 916 C GLU A 63 -0.304 5.667 0.027 1.00 0.00 C ATOM 917 O GLU A 63 0.194 5.786 1.148 1.00 0.00 O ATOM 918 CB GLU A 63 0.986 7.337 -1.317 1.00 0.00 C ATOM 919 CG GLU A 63 1.867 6.229 -1.868 1.00 0.00 C ATOM 920 CD GLU A 63 3.301 6.676 -2.081 1.00 0.00 C ATOM 921 OE1 GLU A 63 3.909 7.196 -1.123 1.00 0.00 O ATOM 922 OE2 GLU A 63 3.814 6.504 -3.207 1.00 0.00 O ATOM 0 H GLU A 63 -1.296 7.842 0.719 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.955 6.555 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.892 8.122 -2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.475 7.781 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.852 5.383 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.455 5.879 -2.814 1.00 0.00 H new ATOM 929 N LEU A 64 -0.773 4.514 -0.437 1.00 0.00 N ATOM 930 CA LEU A 64 -0.730 3.294 0.361 1.00 0.00 C ATOM 931 C LEU A 64 -0.082 2.155 -0.420 1.00 0.00 C ATOM 932 O LEU A 64 -0.593 1.731 -1.456 1.00 0.00 O ATOM 933 CB LEU A 64 -2.142 2.893 0.792 1.00 0.00 C ATOM 934 CG LEU A 64 -2.302 1.468 1.324 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.539 0.494 0.179 1.00 0.00 C ATOM 936 CD2 LEU A 64 -1.078 1.059 2.129 1.00 0.00 C ATOM 0 H LEU A 64 -1.187 4.398 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.128 3.491 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.476 3.587 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.810 3.018 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.171 1.442 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.650 -0.515 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.446 0.775 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.691 0.523 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.209 0.042 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.194 1.102 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.953 1.739 2.972 1.00 0.00 H new ATOM 948 N GLN A 65 1.045 1.664 0.086 1.00 0.00 N ATOM 949 CA GLN A 65 1.762 0.573 -0.563 1.00 0.00 C ATOM 950 C GLN A 65 1.585 -0.730 0.208 1.00 0.00 C ATOM 951 O GLN A 65 1.432 -0.723 1.430 1.00 0.00 O ATOM 952 CB GLN A 65 3.249 0.912 -0.682 1.00 0.00 C ATOM 953 CG GLN A 65 3.588 1.740 -1.911 1.00 0.00 C ATOM 954 CD GLN A 65 5.078 1.975 -2.064 1.00 0.00 C ATOM 955 OE1 GLN A 65 5.743 1.315 -2.862 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.610 2.919 -1.297 1.00 0.00 N ATOM 0 H GLN A 65 1.481 2.004 0.943 1.00 0.00 H new ATOM 0 HA GLN A 65 1.346 0.441 -1.562 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.562 1.456 0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.823 -0.014 -0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.211 1.235 -2.800 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.077 2.701 -1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.021 3.442 -0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.608 3.121 -1.356 1.00 0.00 H new ATOM 965 N ILE A 66 1.607 -1.846 -0.512 1.00 0.00 N ATOM 966 CA ILE A 66 1.450 -3.157 0.105 1.00 0.00 C ATOM 967 C ILE A 66 2.625 -4.068 -0.232 1.00 0.00 C ATOM 968 O ILE A 66 2.643 -4.713 -1.281 1.00 0.00 O ATOM 969 CB ILE A 66 0.143 -3.837 -0.342 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.059 -2.953 -0.004 1.00 0.00 C ATOM 971 CG2 ILE A 66 0.004 -5.203 0.314 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.260 -3.200 -0.890 1.00 0.00 C ATOM 0 H ILE A 66 1.732 -1.869 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 66 1.416 -2.996 1.183 1.00 0.00 H new ATOM 0 HB ILE A 66 0.175 -3.977 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.343 -3.122 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.765 -1.907 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.925 -5.670 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.847 -5.832 0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.010 -5.087 1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.074 -2.538 -0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.993 -3.003 -1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.580 -4.237 -0.788 1.00 0.00 H new ATOM 984 N ARG A 67 3.605 -4.118 0.664 1.00 0.00 N ATOM 985 CA ARG A 67 4.784 -4.951 0.462 1.00 0.00 C ATOM 986 C ARG A 67 4.460 -6.422 0.708 1.00 0.00 C ATOM 987 O ARG A 67 3.936 -6.785 1.761 1.00 0.00 O ATOM 988 CB ARG A 67 5.915 -4.505 1.390 1.00 0.00 C ATOM 989 CG ARG A 67 6.569 -3.199 0.970 1.00 0.00 C ATOM 990 CD ARG A 67 7.137 -2.450 2.165 1.00 0.00 C ATOM 991 NE ARG A 67 7.561 -1.098 1.813 1.00 0.00 N ATOM 992 CZ ARG A 67 8.753 -0.811 1.302 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.634 -1.777 1.084 1.00 0.00 N ATOM 994 NH2 ARG A 67 9.065 0.445 1.007 1.00 0.00 N ATOM 0 H ARG A 67 3.606 -3.591 1.537 1.00 0.00 H new ATOM 0 HA ARG A 67 5.106 -4.836 -0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.522 -4.396 2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.674 -5.287 1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.366 -3.404 0.255 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.837 -2.572 0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.385 -2.400 2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.986 -3.002 2.569 1.00 0.00 H new ATOM 0 HE ARG A 67 6.906 -0.332 1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.397 -2.743 1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.549 -1.554 0.691 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.389 1.191 1.173 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.981 0.664 0.615 1.00 0.00 H new ATOM 1008 N GLY A 68 4.774 -7.264 -0.271 1.00 0.00 N ATOM 1009 CA GLY A 68 4.508 -8.685 -0.142 1.00 0.00 C ATOM 1010 C GLY A 68 3.220 -9.099 -0.826 1.00 0.00 C ATOM 1011 O GLY A 68 2.350 -9.714 -0.208 1.00 0.00 O ATOM 0 H GLY A 68 5.208 -6.988 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.339 -9.247 -0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.455 -8.947 0.915 1.00 0.00 H new ATOM 1015 N LEU A 69 3.097 -8.760 -2.104 1.00 0.00 N ATOM 1016 CA LEU A 69 1.904 -9.099 -2.874 1.00 0.00 C ATOM 1017 C LEU A 69 1.826 -10.602 -3.123 1.00 0.00 C ATOM 1018 O LEU A 69 2.845 -11.261 -3.329 1.00 0.00 O ATOM 1019 CB LEU A 69 1.903 -8.348 -4.206 1.00 0.00 C ATOM 1020 CG LEU A 69 1.543 -6.864 -4.140 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.854 -6.179 -5.461 1.00 0.00 C ATOM 1022 CD2 LEU A 69 0.075 -6.687 -3.778 1.00 0.00 C ATOM 0 H LEU A 69 3.808 -8.251 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 69 1.030 -8.800 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.892 -8.442 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.201 -8.842 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 69 2.148 -6.398 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.591 -5.123 -5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.918 -6.275 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.277 -6.647 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.164 -5.624 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.547 -7.169 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.117 -7.141 -2.806 1.00 0.00 H new ATOM 1034 N ALA A 70 0.610 -11.137 -3.106 1.00 0.00 N ATOM 1035 CA ALA A 70 0.399 -12.561 -3.335 1.00 0.00 C ATOM 1036 C ALA A 70 -1.054 -12.849 -3.701 1.00 0.00 C ATOM 1037 O ALA A 70 -1.910 -11.968 -3.619 1.00 0.00 O ATOM 1038 CB ALA A 70 0.803 -13.359 -2.105 1.00 0.00 C ATOM 0 H ALA A 70 -0.244 -10.606 -2.936 1.00 0.00 H new ATOM 0 HA ALA A 70 1.025 -12.865 -4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.640 -14.421 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.857 -13.186 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.202 -13.043 -1.253 1.00 0.00 H new ATOM 1044 N MET A 71 -1.324 -14.086 -4.104 1.00 0.00 N ATOM 1045 CA MET A 71 -2.674 -14.489 -4.481 1.00 0.00 C ATOM 1046 C MET A 71 -3.668 -14.163 -3.371 1.00 0.00 C ATOM 1047 O MET A 71 -4.794 -13.743 -3.637 1.00 0.00 O ATOM 1048 CB MET A 71 -2.713 -15.986 -4.795 1.00 0.00 C ATOM 1049 CG MET A 71 -2.075 -16.344 -6.127 1.00 0.00 C ATOM 1050 SD MET A 71 -3.248 -16.291 -7.496 1.00 0.00 S ATOM 1051 CE MET A 71 -2.908 -14.666 -8.169 1.00 0.00 C ATOM 0 H MET A 71 -0.626 -14.826 -4.178 1.00 0.00 H new ATOM 0 HA MET A 71 -2.958 -13.931 -5.373 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.203 -16.529 -3.999 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.750 -16.322 -4.796 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.255 -15.655 -6.329 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.643 -17.343 -6.062 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.223 -14.631 -9.212 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.455 -13.915 -7.599 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.839 -14.462 -8.106 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.245 -14.362 -2.127 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.099 -14.087 -0.977 1.00 0.00 C ATOM 1063 C ALA A 72 -4.396 -12.597 -0.857 1.00 0.00 C ATOM 1064 O ALA A 72 -5.531 -12.199 -0.597 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.448 -14.603 0.298 1.00 0.00 C ATOM 0 H ALA A 72 -2.317 -14.712 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.045 -14.607 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.096 -14.391 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.294 -15.679 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.487 -14.109 0.442 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.368 -11.776 -1.047 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.519 -10.329 -0.960 1.00 0.00 C ATOM 1073 C ASP A 73 -4.632 -9.842 -1.882 1.00 0.00 C ATOM 1074 O ASP A 73 -5.368 -8.912 -1.549 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.204 -9.635 -1.318 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.104 -9.927 -0.316 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.401 -9.970 0.897 1.00 0.00 O ATOM 1078 OD2 ASP A 73 0.054 -10.113 -0.744 1.00 0.00 O ATOM 0 H ASP A 73 -2.421 -12.089 -1.262 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.786 -10.078 0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.884 -9.958 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.367 -8.559 -1.371 1.00 0.00 H new ATOM 1083 N THR A 74 -4.751 -10.476 -3.044 1.00 0.00 N ATOM 1084 CA THR A 74 -5.773 -10.107 -4.016 1.00 0.00 C ATOM 1085 C THR A 74 -7.116 -9.866 -3.336 1.00 0.00 C ATOM 1086 O THR A 74 -7.791 -10.808 -2.922 1.00 0.00 O ATOM 1087 CB THR A 74 -5.943 -11.195 -5.093 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.669 -11.535 -5.651 1.00 0.00 O ATOM 1089 CG2 THR A 74 -6.876 -10.722 -6.197 1.00 0.00 C ATOM 0 H THR A 74 -4.152 -11.248 -3.335 1.00 0.00 H new ATOM 0 HA THR A 74 -5.439 -9.185 -4.492 1.00 0.00 H new ATOM 0 HB THR A 74 -6.380 -12.076 -4.623 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.270 -12.266 -5.134 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.981 -11.507 -6.946 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.854 -10.492 -5.773 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.463 -9.828 -6.664 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.499 -8.598 -3.226 1.00 0.00 N ATOM 1098 CA GLY A 75 -8.761 -8.256 -2.596 1.00 0.00 C ATOM 1099 C GLY A 75 -9.254 -6.879 -2.995 1.00 0.00 C ATOM 1100 O GLY A 75 -9.064 -6.451 -4.132 1.00 0.00 O ATOM 0 H GLY A 75 -6.958 -7.801 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.511 -8.999 -2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.646 -8.298 -1.513 1.00 0.00 H new ATOM 1104 N GLU A 76 -9.891 -6.186 -2.056 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.415 -4.850 -2.317 1.00 0.00 C ATOM 1106 C GLU A 76 -10.014 -3.882 -1.208 1.00 0.00 C ATOM 1107 O GLU A 76 -10.143 -4.191 -0.023 1.00 0.00 O ATOM 1108 CB GLU A 76 -11.939 -4.892 -2.447 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.580 -3.517 -2.530 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.045 -3.580 -2.918 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -14.372 -4.301 -3.884 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -14.864 -2.908 -2.257 1.00 0.00 O ATOM 0 H GLU A 76 -10.057 -6.527 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.988 -4.497 -3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.204 -5.462 -3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.354 -5.426 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.484 -3.017 -1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.040 -2.912 -3.259 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.527 -2.710 -1.601 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.104 -1.697 -0.641 1.00 0.00 C ATOM 1121 C TYR A 77 -9.940 -0.429 -0.783 1.00 0.00 C ATOM 1122 O TYR A 77 -10.307 -0.035 -1.890 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.623 -1.369 -0.833 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.703 -2.538 -0.560 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.683 -3.643 -1.401 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -5.855 -2.537 0.541 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -5.846 -4.714 -1.155 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.013 -3.603 0.794 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.012 -4.688 -0.057 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.175 -5.752 0.193 1.00 0.00 O ATOM 0 H TYR A 77 -9.415 -2.438 -2.578 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.253 -2.098 0.361 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.465 -1.025 -1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.354 -0.544 -0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.334 -3.665 -2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.854 -1.689 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.845 -5.566 -1.818 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.359 -3.586 1.654 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.654 -5.575 1.004 1.00 0.00 H new ATOM 1140 N SER A 78 -10.238 0.205 0.346 1.00 0.00 N ATOM 1141 CA SER A 78 -11.033 1.428 0.350 1.00 0.00 C ATOM 1142 C SER A 78 -10.406 2.481 1.258 1.00 0.00 C ATOM 1143 O SER A 78 -10.249 2.266 2.460 1.00 0.00 O ATOM 1144 CB SER A 78 -12.463 1.130 0.806 1.00 0.00 C ATOM 1145 OG SER A 78 -12.957 -0.050 0.197 1.00 0.00 O ATOM 0 H SER A 78 -9.941 -0.108 1.270 1.00 0.00 H new ATOM 0 HA SER A 78 -11.058 1.819 -0.667 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.487 1.021 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.110 1.970 0.556 1.00 0.00 H new ATOM 0 HG SER A 78 -13.872 -0.219 0.506 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.050 3.620 0.674 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.439 4.708 1.429 1.00 0.00 C ATOM 1153 C CYS A 79 -10.506 5.617 2.031 1.00 0.00 C ATOM 1154 O CYS A 79 -11.050 6.488 1.352 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.508 5.521 0.529 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.145 6.320 1.407 1.00 0.00 S ATOM 0 H CYS A 79 -10.174 3.814 -0.320 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.857 4.272 2.241 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.097 4.864 -0.238 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.092 6.284 0.015 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.038 5.685 1.160 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.800 5.408 3.310 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.802 6.209 4.005 1.00 0.00 C ATOM 1164 C VAL A 80 -11.186 7.475 4.588 1.00 0.00 C ATOM 1165 O VAL A 80 -10.123 7.432 5.209 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.473 5.409 5.137 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -13.825 6.010 5.487 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.616 3.946 4.744 1.00 0.00 C ATOM 0 H VAL A 80 -10.359 4.691 3.886 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.556 6.483 3.267 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.838 5.463 6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.284 5.431 6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.691 7.041 5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.471 5.989 4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.092 3.396 5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.228 3.869 3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.630 3.524 4.549 1.00 0.00 H new ATOM 1178 N CYS A 81 -11.859 8.602 4.384 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.377 9.883 4.889 1.00 0.00 C ATOM 1180 C CYS A 81 -12.276 10.398 6.009 1.00 0.00 C ATOM 1181 O CYS A 81 -11.800 10.984 6.981 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.313 10.910 3.758 1.00 0.00 C ATOM 1183 SG CYS A 81 -12.891 11.182 2.918 1.00 0.00 S ATOM 0 H CYS A 81 -12.740 8.655 3.873 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.375 9.733 5.291 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.961 11.859 4.163 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.575 10.582 3.025 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.969 10.404 1.879 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.579 10.176 5.865 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.523 10.625 6.871 1.00 0.00 C ATOM 1191 C GLY A 82 -15.953 10.254 6.531 1.00 0.00 C ATOM 1192 O GLY A 82 -16.504 9.306 7.089 1.00 0.00 O ATOM 0 H GLY A 82 -13.997 9.693 5.070 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.257 10.190 7.834 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.447 11.707 6.979 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.555 11.004 5.614 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.931 10.750 5.203 1.00 0.00 C ATOM 1198 C GLN A 83 -17.972 9.910 3.931 1.00 0.00 C ATOM 1199 O GLN A 83 -18.894 9.121 3.727 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.672 12.070 4.980 1.00 0.00 C ATOM 1201 CG GLN A 83 -18.833 12.898 6.245 1.00 0.00 C ATOM 1202 CD GLN A 83 -20.018 13.840 6.178 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -20.623 14.021 5.122 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -20.356 14.447 7.310 1.00 0.00 N ATOM 0 H GLN A 83 -16.112 11.792 5.142 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.425 10.195 6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.134 12.658 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.658 11.858 4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -18.952 12.231 7.099 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -17.924 13.475 6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -19.826 14.267 8.163 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -21.145 15.093 7.326 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.967 10.085 3.078 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.890 9.343 1.825 1.00 0.00 C ATOM 1215 C GLU A 84 -15.600 8.531 1.752 1.00 0.00 C ATOM 1216 O GLU A 84 -14.689 8.719 2.559 1.00 0.00 O ATOM 1217 CB GLU A 84 -16.971 10.300 0.634 1.00 0.00 C ATOM 1218 CG GLU A 84 -16.045 11.499 0.752 1.00 0.00 C ATOM 1219 CD GLU A 84 -16.530 12.513 1.770 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -17.397 13.340 1.419 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -16.042 12.478 2.920 1.00 0.00 O ATOM 0 H GLU A 84 -16.195 10.734 3.232 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.735 8.655 1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.729 9.753 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.997 10.653 0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.048 11.157 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.955 11.981 -0.221 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.532 7.627 0.780 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.355 6.785 0.602 1.00 0.00 C ATOM 1230 C ARG A 85 -14.305 6.212 -0.811 1.00 0.00 C ATOM 1231 O ARG A 85 -15.324 6.138 -1.499 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.357 5.647 1.625 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.163 4.435 1.188 1.00 0.00 C ATOM 1234 CD ARG A 85 -15.702 3.664 2.382 1.00 0.00 C ATOM 1235 NE ARG A 85 -16.780 4.382 3.056 1.00 0.00 N ATOM 1236 CZ ARG A 85 -17.631 3.808 3.899 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -17.529 2.515 4.171 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -18.586 4.529 4.473 1.00 0.00 N ATOM 0 H ARG A 85 -16.277 7.459 0.104 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.470 7.403 0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.329 5.339 1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.758 6.018 2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.992 4.756 0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.537 3.779 0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.066 2.691 2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.893 3.478 3.089 1.00 0.00 H new ATOM 0 HE ARG A 85 -16.885 5.379 2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.796 1.958 3.733 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.184 2.077 4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.667 5.525 4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -19.239 4.087 5.120 1.00 0.00 H new ATOM 1252 N THR A 86 -13.113 5.808 -1.239 1.00 0.00 N ATOM 1253 CA THR A 86 -12.930 5.243 -2.570 1.00 0.00 C ATOM 1254 C THR A 86 -12.672 3.742 -2.500 1.00 0.00 C ATOM 1255 O THR A 86 -12.582 3.168 -1.415 1.00 0.00 O ATOM 1256 CB THR A 86 -11.761 5.919 -3.311 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.838 5.634 -4.712 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.425 5.441 -2.763 1.00 0.00 C ATOM 0 H THR A 86 -12.260 5.862 -0.683 1.00 0.00 H new ATOM 0 HA THR A 86 -13.853 5.425 -3.120 1.00 0.00 H new ATOM 0 HB THR A 86 -11.835 6.995 -3.156 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.686 5.972 -5.069 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.614 5.932 -3.301 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.358 5.687 -1.703 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.344 4.362 -2.891 1.00 0.00 H new ATOM 1266 N SER A 87 -12.554 3.112 -3.664 1.00 0.00 N ATOM 1267 CA SER A 87 -12.310 1.676 -3.735 1.00 0.00 C ATOM 1268 C SER A 87 -11.631 1.305 -5.050 1.00 0.00 C ATOM 1269 O SER A 87 -11.845 1.950 -6.075 1.00 0.00 O ATOM 1270 CB SER A 87 -13.624 0.906 -3.590 1.00 0.00 C ATOM 1271 OG SER A 87 -14.695 1.608 -4.196 1.00 0.00 O ATOM 0 H SER A 87 -12.623 3.573 -4.571 1.00 0.00 H new ATOM 0 HA SER A 87 -11.646 1.404 -2.914 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.525 -0.078 -4.048 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.841 0.746 -2.534 1.00 0.00 H new ATOM 0 HG SER A 87 -15.523 1.095 -4.091 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.812 0.259 -5.011 1.00 0.00 N ATOM 1278 CA ALA A 88 -10.103 -0.201 -6.198 1.00 0.00 C ATOM 1279 C ALA A 88 -9.672 -1.657 -6.051 1.00 0.00 C ATOM 1280 O ALA A 88 -8.855 -1.987 -5.192 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.896 0.684 -6.469 1.00 0.00 C ATOM 0 H ALA A 88 -10.623 -0.286 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.785 -0.135 -7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.376 0.328 -7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.226 1.711 -6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.220 0.648 -5.615 1.00 0.00 H new ATOM 1287 N MET A 89 -10.227 -2.522 -6.894 1.00 0.00 N ATOM 1288 CA MET A 89 -9.898 -3.942 -6.857 1.00 0.00 C ATOM 1289 C MET A 89 -8.422 -4.167 -7.170 1.00 0.00 C ATOM 1290 O MET A 89 -7.936 -3.777 -8.233 1.00 0.00 O ATOM 1291 CB MET A 89 -10.766 -4.714 -7.852 1.00 0.00 C ATOM 1292 CG MET A 89 -12.190 -4.939 -7.370 1.00 0.00 C ATOM 1293 SD MET A 89 -12.266 -5.953 -5.880 1.00 0.00 S ATOM 1294 CE MET A 89 -11.292 -7.369 -6.383 1.00 0.00 C ATOM 0 H MET A 89 -10.906 -2.265 -7.610 1.00 0.00 H new ATOM 0 HA MET A 89 -10.097 -4.309 -5.850 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.793 -4.170 -8.796 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.302 -5.680 -8.053 1.00 0.00 H new ATOM 0 HG2 MET A 89 -12.660 -3.975 -7.173 1.00 0.00 H new ATOM 0 HG3 MET A 89 -12.766 -5.419 -8.161 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.514 -8.214 -5.731 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.536 -7.631 -7.412 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.232 -7.125 -6.312 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.714 -4.797 -6.239 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.292 -5.073 -6.416 1.00 0.00 C ATOM 1306 C LEU A 90 -6.072 -6.502 -6.901 1.00 0.00 C ATOM 1307 O LEU A 90 -6.291 -7.462 -6.161 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.541 -4.846 -5.103 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.233 -5.620 -4.936 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.267 -5.286 -6.063 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.603 -5.316 -3.584 1.00 0.00 C ATOM 0 H LEU A 90 -8.101 -5.126 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.905 -4.389 -7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.324 -3.782 -5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.204 -5.109 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.456 -6.686 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.342 -5.846 -5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.717 -5.554 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.049 -4.218 -6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.673 -5.875 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.394 -4.249 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.290 -5.606 -2.789 1.00 0.00 H new ATOM 1323 N THR A 91 -5.634 -6.638 -8.149 1.00 0.00 N ATOM 1324 CA THR A 91 -5.382 -7.949 -8.733 1.00 0.00 C ATOM 1325 C THR A 91 -3.895 -8.284 -8.712 1.00 0.00 C ATOM 1326 O THR A 91 -3.064 -7.491 -9.154 1.00 0.00 O ATOM 1327 CB THR A 91 -5.894 -8.026 -10.184 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.316 -7.857 -10.211 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.524 -9.358 -10.818 1.00 0.00 C ATOM 0 H THR A 91 -5.446 -5.855 -8.775 1.00 0.00 H new ATOM 0 HA THR A 91 -5.923 -8.674 -8.126 1.00 0.00 H new ATOM 0 HB THR A 91 -5.423 -7.226 -10.756 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.634 -7.905 -11.137 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.896 -9.389 -11.842 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.440 -9.470 -10.822 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.971 -10.170 -10.245 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.566 -9.464 -8.197 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.178 -9.905 -8.120 1.00 0.00 C ATOM 1339 C VAL A 92 -1.895 -11.007 -9.135 1.00 0.00 C ATOM 1340 O VAL A 92 -2.160 -12.182 -8.881 1.00 0.00 O ATOM 1341 CB VAL A 92 -1.829 -10.418 -6.711 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.398 -10.932 -6.668 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.041 -9.322 -5.677 1.00 0.00 C ATOM 0 H VAL A 92 -4.242 -10.132 -7.827 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.557 -9.038 -8.346 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.495 -11.247 -6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.170 -11.290 -5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.284 -11.750 -7.380 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.286 -10.125 -6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.789 -9.702 -4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.401 -8.471 -5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.084 -9.006 -5.690 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.355 -10.620 -10.285 1.00 0.00 N ATOM 1354 CA ARG A 93 -1.036 -11.575 -11.340 1.00 0.00 C ATOM 1355 C ARG A 93 0.105 -12.495 -10.913 1.00 0.00 C ATOM 1356 O ARG A 93 1.242 -12.054 -10.747 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.657 -10.839 -12.626 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.756 -9.931 -13.155 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.936 -10.733 -13.681 1.00 0.00 C ATOM 1360 NE ARG A 93 -2.706 -11.218 -15.039 1.00 0.00 N ATOM 1361 CZ ARG A 93 -3.642 -11.800 -15.781 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -4.866 -11.966 -15.298 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -3.356 -12.215 -17.008 1.00 0.00 N ATOM 0 H ARG A 93 -1.129 -9.651 -10.511 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.921 -12.183 -11.525 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.238 -10.244 -12.444 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.402 -11.571 -13.392 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.093 -9.265 -12.361 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.358 -9.302 -13.951 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.122 -11.580 -13.020 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.832 -10.113 -13.664 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.775 -11.104 -15.440 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.090 -11.647 -14.356 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.583 -12.413 -15.869 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.416 -12.088 -17.383 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.076 -12.662 -17.576 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.209 -13.774 -10.737 1.00 0.00 N ATOM 1378 CA ALA A 94 0.789 -14.756 -10.331 1.00 0.00 C ATOM 1379 C ALA A 94 1.941 -14.813 -11.329 1.00 0.00 C ATOM 1380 O ALA A 94 1.724 -14.884 -12.540 1.00 0.00 O ATOM 1381 CB ALA A 94 0.149 -16.129 -10.182 1.00 0.00 C ATOM 0 H ALA A 94 -1.146 -14.154 -10.869 1.00 0.00 H new ATOM 0 HA ALA A 94 1.193 -14.449 -9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.906 -16.852 -9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.635 -16.085 -9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.283 -16.434 -11.135 1.00 0.00 H new ATOM 1387 N LEU A 95 3.165 -14.780 -10.815 1.00 0.00 N ATOM 1388 CA LEU A 95 4.352 -14.828 -11.661 1.00 0.00 C ATOM 1389 C LEU A 95 4.196 -15.873 -12.761 1.00 0.00 C ATOM 1390 O LEU A 95 3.542 -16.901 -12.586 1.00 0.00 O ATOM 1391 CB LEU A 95 5.591 -15.138 -10.819 1.00 0.00 C ATOM 1392 CG LEU A 95 5.996 -14.071 -9.802 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.713 -14.705 -8.620 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.875 -13.015 -10.457 1.00 0.00 C ATOM 0 H LEU A 95 3.362 -14.720 -9.816 1.00 0.00 H new ATOM 0 HA LEU A 95 4.473 -13.851 -12.129 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.418 -16.073 -10.286 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.431 -15.306 -11.493 1.00 0.00 H new ATOM 0 HG LEU A 95 5.092 -13.585 -9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.994 -13.930 -7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.051 -15.422 -8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.609 -15.218 -8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.153 -12.264 -9.718 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.775 -13.485 -10.853 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.327 -12.538 -11.270 1.00 0.00 H new