USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 506 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 14 SER OG : rot 180:sc= -0.919 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.92,f=-2.1!) USER MOD Single : A 11 CYS SG : rot -164:sc= -7.41! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.27 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 32 SER OG : rot -160:sc= -0.682 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00721 USER MOD Single : A 44 ASN : amide:sc= -1.29 K(o=-1.3,f=-1.9!) USER MOD Single : A 50 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.125) USER MOD Single : A 51 GLN : amide:sc= -0.837 K(o=-0.84,f=-0.11) USER MOD Single : A 52 ASN : amide:sc= -0.0653 K(o=-0.065,f=-2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -137:sc= -0.681 USER MOD Single : A 60 THR OG1 : rot 130:sc= -0.987 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.534 -3.759 -9.984 1.00 0.36 N ATOM 102 CA ASP A 7 91.053 -4.454 -8.763 1.00 0.32 C ATOM 103 C ASP A 7 90.152 -4.150 -7.562 1.00 0.26 C ATOM 104 O ASP A 7 89.999 -4.964 -6.671 1.00 0.26 O ATOM 105 CB ASP A 7 92.462 -3.897 -8.536 1.00 0.36 C ATOM 106 CG ASP A 7 93.365 -4.264 -9.719 1.00 0.98 C ATOM 107 OD1 ASP A 7 93.127 -5.294 -10.331 1.00 1.60 O ATOM 108 OD2 ASP A 7 94.281 -3.505 -9.994 1.00 1.46 O ATOM 0 HA ASP A 7 91.069 -5.537 -8.886 1.00 0.32 H new ATOM 0 HB2 ASP A 7 92.420 -2.814 -8.422 1.00 0.36 H new ATOM 0 HB3 ASP A 7 92.877 -4.299 -7.612 1.00 0.36 H new ATOM 113 N TRP A 8 89.557 -2.982 -7.539 1.00 0.23 N ATOM 114 CA TRP A 8 88.698 -2.591 -6.379 1.00 0.20 C ATOM 115 C TRP A 8 87.315 -3.250 -6.453 1.00 0.17 C ATOM 116 O TRP A 8 86.587 -3.251 -5.483 1.00 0.17 O ATOM 117 CB TRP A 8 88.572 -1.070 -6.447 1.00 0.21 C ATOM 118 CG TRP A 8 89.642 -0.360 -5.684 1.00 0.22 C ATOM 119 CD1 TRP A 8 90.326 0.722 -6.131 1.00 0.25 C ATOM 120 CD2 TRP A 8 90.164 -0.661 -4.357 1.00 0.23 C ATOM 121 NE1 TRP A 8 91.243 1.113 -5.165 1.00 0.27 N ATOM 122 CE2 TRP A 8 91.196 0.301 -4.053 1.00 0.26 C ATOM 123 CE3 TRP A 8 89.859 -1.672 -3.373 1.00 0.24 C ATOM 124 CZ2 TRP A 8 91.908 0.268 -2.816 1.00 0.29 C ATOM 125 CZ3 TRP A 8 90.573 -1.711 -2.125 1.00 0.27 C ATOM 126 CH2 TRP A 8 91.596 -0.743 -1.850 1.00 0.30 C ATOM 0 H TRP A 8 89.630 -2.281 -8.276 1.00 0.23 H new ATOM 0 HA TRP A 8 89.141 -2.920 -5.439 1.00 0.20 H new ATOM 0 HB2 TRP A 8 88.607 -0.755 -7.490 1.00 0.21 H new ATOM 0 HB3 TRP A 8 87.598 -0.774 -6.057 1.00 0.21 H new ATOM 0 HD1 TRP A 8 90.180 1.203 -7.087 1.00 0.25 H new ATOM 0 HE1 TRP A 8 91.876 1.906 -5.266 1.00 0.27 H new ATOM 0 HE3 TRP A 8 89.090 -2.403 -3.575 1.00 0.24 H new ATOM 0 HZ2 TRP A 8 92.676 0.999 -2.610 1.00 0.29 H new ATOM 0 HZ3 TRP A 8 90.339 -2.470 -1.394 1.00 0.27 H new ATOM 0 HH2 TRP A 8 92.132 -0.777 -0.913 1.00 0.30 H new ATOM 137 N ILE A 9 86.939 -3.816 -7.580 1.00 0.17 N ATOM 138 CA ILE A 9 85.518 -4.275 -7.757 1.00 0.16 C ATOM 139 C ILE A 9 85.125 -5.249 -6.632 1.00 0.15 C ATOM 140 O ILE A 9 85.861 -6.156 -6.293 1.00 0.17 O ATOM 141 CB ILE A 9 85.470 -4.970 -9.132 1.00 0.19 C ATOM 142 CG1 ILE A 9 85.860 -3.984 -10.251 1.00 0.20 C ATOM 143 CG2 ILE A 9 84.055 -5.496 -9.403 1.00 0.20 C ATOM 144 CD1 ILE A 9 84.929 -2.763 -10.243 1.00 0.19 C ATOM 0 H ILE A 9 87.550 -3.979 -8.380 1.00 0.17 H new ATOM 0 HA ILE A 9 84.815 -3.444 -7.711 1.00 0.16 H new ATOM 0 HB ILE A 9 86.178 -5.799 -9.120 1.00 0.19 H new ATOM 0 HG12 ILE A 9 86.893 -3.662 -10.116 1.00 0.20 H new ATOM 0 HG13 ILE A 9 85.806 -4.483 -11.218 1.00 0.20 H new ATOM 0 HG21 ILE A 9 84.029 -5.986 -10.376 1.00 0.20 H new ATOM 0 HG22 ILE A 9 83.779 -6.212 -8.629 1.00 0.20 H new ATOM 0 HG23 ILE A 9 83.350 -4.664 -9.396 1.00 0.20 H new ATOM 0 HD11 ILE A 9 85.220 -2.078 -11.040 1.00 0.19 H new ATOM 0 HD12 ILE A 9 83.901 -3.088 -10.402 1.00 0.19 H new ATOM 0 HD13 ILE A 9 85.004 -2.254 -9.282 1.00 0.19 H new ATOM 156 N GLY A 10 83.962 -5.052 -6.062 1.00 0.14 N ATOM 157 CA GLY A 10 83.512 -5.910 -4.927 1.00 0.14 C ATOM 158 C GLY A 10 84.056 -5.410 -3.576 1.00 0.14 C ATOM 159 O GLY A 10 83.765 -5.999 -2.550 1.00 0.15 O ATOM 0 H GLY A 10 83.301 -4.326 -6.338 1.00 0.14 H new ATOM 0 HA2 GLY A 10 82.423 -5.927 -4.895 1.00 0.14 H new ATOM 0 HA3 GLY A 10 83.842 -6.935 -5.094 1.00 0.14 H new ATOM 163 N CYS A 11 84.836 -4.341 -3.551 1.00 0.13 N ATOM 164 CA CYS A 11 85.337 -3.819 -2.233 1.00 0.14 C ATOM 165 C CYS A 11 84.288 -2.894 -1.585 1.00 0.12 C ATOM 166 O CYS A 11 83.463 -2.316 -2.267 1.00 0.10 O ATOM 167 CB CYS A 11 86.684 -3.102 -2.530 1.00 0.16 C ATOM 168 SG CYS A 11 86.466 -1.432 -3.232 1.00 0.15 S ATOM 0 H CYS A 11 85.140 -3.819 -4.373 1.00 0.13 H new ATOM 0 HA CYS A 11 85.502 -4.617 -1.509 1.00 0.14 H new ATOM 0 HB2 CYS A 11 87.261 -3.030 -1.608 1.00 0.16 H new ATOM 0 HB3 CYS A 11 87.266 -3.708 -3.224 1.00 0.16 H new ATOM 0 HG CYS A 11 87.584 -1.035 -3.763 1.00 0.15 H new ATOM 174 N ALA A 12 84.323 -2.760 -0.283 1.00 0.13 N ATOM 175 CA ALA A 12 83.290 -1.939 0.423 1.00 0.11 C ATOM 176 C ALA A 12 83.762 -0.489 0.546 1.00 0.10 C ATOM 177 O ALA A 12 84.798 -0.223 1.126 1.00 0.11 O ATOM 178 CB ALA A 12 83.163 -2.575 1.807 1.00 0.13 C ATOM 0 H ALA A 12 85.024 -3.185 0.324 1.00 0.13 H new ATOM 0 HA ALA A 12 82.340 -1.921 -0.111 1.00 0.11 H new ATOM 0 HB1 ALA A 12 82.422 -2.030 2.391 1.00 0.13 H new ATOM 0 HB2 ALA A 12 82.850 -3.614 1.703 1.00 0.13 H new ATOM 0 HB3 ALA A 12 84.126 -2.535 2.315 1.00 0.13 H new ATOM 184 N VAL A 13 83.012 0.446 0.010 1.00 0.09 N ATOM 185 CA VAL A 13 83.437 1.880 0.072 1.00 0.10 C ATOM 186 C VAL A 13 82.253 2.782 0.440 1.00 0.11 C ATOM 187 O VAL A 13 81.104 2.421 0.256 1.00 0.11 O ATOM 188 CB VAL A 13 83.960 2.211 -1.332 1.00 0.11 C ATOM 189 CG1 VAL A 13 85.149 1.306 -1.658 1.00 0.12 C ATOM 190 CG2 VAL A 13 82.855 1.987 -2.373 1.00 0.12 C ATOM 0 H VAL A 13 82.126 0.278 -0.466 1.00 0.09 H new ATOM 0 HA VAL A 13 84.198 2.044 0.835 1.00 0.10 H new ATOM 0 HB VAL A 13 84.271 3.256 -1.358 1.00 0.11 H new ATOM 0 HG11 VAL A 13 85.522 1.540 -2.655 1.00 0.12 H new ATOM 0 HG12 VAL A 13 85.941 1.469 -0.927 1.00 0.12 H new ATOM 0 HG13 VAL A 13 84.833 0.263 -1.624 1.00 0.12 H new ATOM 0 HG21 VAL A 13 83.237 2.225 -3.366 1.00 0.12 H new ATOM 0 HG22 VAL A 13 82.536 0.945 -2.347 1.00 0.12 H new ATOM 0 HG23 VAL A 13 82.006 2.632 -2.147 1.00 0.12 H new ATOM 200 N SER A 14 82.538 3.953 0.956 1.00 0.14 N ATOM 201 CA SER A 14 81.457 4.941 1.240 1.00 0.15 C ATOM 202 C SER A 14 81.691 6.201 0.413 1.00 0.13 C ATOM 203 O SER A 14 82.815 6.639 0.251 1.00 0.12 O ATOM 204 CB SER A 14 81.576 5.244 2.733 1.00 0.18 C ATOM 205 OG SER A 14 80.607 6.220 3.094 1.00 0.18 O ATOM 0 H SER A 14 83.479 4.266 1.193 1.00 0.14 H new ATOM 0 HA SER A 14 80.466 4.565 0.986 1.00 0.15 H new ATOM 0 HB2 SER A 14 81.426 4.334 3.313 1.00 0.18 H new ATOM 0 HB3 SER A 14 82.578 5.607 2.963 1.00 0.18 H new ATOM 0 HG SER A 14 80.680 6.415 4.052 1.00 0.18 H new ATOM 211 N ILE A 15 80.641 6.785 -0.110 1.00 0.14 N ATOM 212 CA ILE A 15 80.812 7.932 -1.053 1.00 0.12 C ATOM 213 C ILE A 15 80.067 9.156 -0.526 1.00 0.10 C ATOM 214 O ILE A 15 78.870 9.113 -0.303 1.00 0.11 O ATOM 215 CB ILE A 15 80.203 7.481 -2.398 1.00 0.13 C ATOM 216 CG1 ILE A 15 80.709 6.077 -2.818 1.00 0.15 C ATOM 217 CG2 ILE A 15 80.587 8.491 -3.482 1.00 0.13 C ATOM 218 CD1 ILE A 15 82.240 6.014 -2.794 1.00 0.15 C ATOM 0 H ILE A 15 79.674 6.517 0.075 1.00 0.14 H new ATOM 0 HA ILE A 15 81.862 8.204 -1.163 1.00 0.12 H new ATOM 0 HB ILE A 15 79.121 7.429 -2.278 1.00 0.13 H new ATOM 0 HG12 ILE A 15 80.300 5.323 -2.145 1.00 0.15 H new ATOM 0 HG13 ILE A 15 80.348 5.841 -3.819 1.00 0.15 H new ATOM 0 HG21 ILE A 15 80.161 8.180 -4.436 1.00 0.13 H new ATOM 0 HG22 ILE A 15 80.201 9.475 -3.216 1.00 0.13 H new ATOM 0 HG23 ILE A 15 81.673 8.538 -3.568 1.00 0.13 H new ATOM 0 HD11 ILE A 15 82.568 5.018 -3.093 1.00 0.15 H new ATOM 0 HD12 ILE A 15 82.645 6.752 -3.486 1.00 0.15 H new ATOM 0 HD13 ILE A 15 82.597 6.226 -1.786 1.00 0.15 H new ATOM 230 N ALA A 16 80.769 10.243 -0.329 1.00 0.10 N ATOM 231 CA ALA A 16 80.106 11.503 0.114 1.00 0.08 C ATOM 232 C ALA A 16 79.883 12.416 -1.093 1.00 0.08 C ATOM 233 O ALA A 16 80.821 12.950 -1.657 1.00 0.10 O ATOM 234 CB ALA A 16 81.085 12.142 1.099 1.00 0.11 C ATOM 0 H ALA A 16 81.779 10.310 -0.457 1.00 0.10 H new ATOM 0 HA ALA A 16 79.133 11.327 0.572 1.00 0.08 H new ATOM 0 HB1 ALA A 16 80.668 13.078 1.471 1.00 0.11 H new ATOM 0 HB2 ALA A 16 81.256 11.463 1.934 1.00 0.11 H new ATOM 0 HB3 ALA A 16 82.030 12.342 0.595 1.00 0.11 H new ATOM 240 N CYS A 17 78.650 12.588 -1.492 1.00 0.09 N ATOM 241 CA CYS A 17 78.335 13.492 -2.638 1.00 0.14 C ATOM 242 C CYS A 17 77.937 14.871 -2.111 1.00 0.15 C ATOM 243 O CYS A 17 77.680 15.035 -0.931 1.00 0.14 O ATOM 244 CB CYS A 17 77.157 12.843 -3.376 1.00 0.17 C ATOM 245 SG CYS A 17 77.595 11.170 -3.919 1.00 0.21 S ATOM 0 H CYS A 17 77.840 12.136 -1.068 1.00 0.09 H new ATOM 0 HA CYS A 17 79.191 13.625 -3.299 1.00 0.14 H new ATOM 0 HB2 CYS A 17 76.287 12.803 -2.721 1.00 0.17 H new ATOM 0 HB3 CYS A 17 76.880 13.451 -4.237 1.00 0.17 H new ATOM 0 HG CYS A 17 76.585 10.637 -4.539 1.00 0.21 H new ATOM 251 N ASP A 18 77.884 15.859 -2.969 1.00 0.21 N ATOM 252 CA ASP A 18 77.564 17.247 -2.505 1.00 0.25 C ATOM 253 C ASP A 18 76.176 17.277 -1.847 1.00 0.24 C ATOM 254 O ASP A 18 75.464 16.291 -1.834 1.00 0.21 O ATOM 255 CB ASP A 18 77.605 18.131 -3.761 1.00 0.32 C ATOM 256 CG ASP A 18 76.631 17.609 -4.832 1.00 1.09 C ATOM 257 OD1 ASP A 18 75.778 16.794 -4.507 1.00 1.96 O ATOM 258 OD2 ASP A 18 76.755 18.039 -5.966 1.00 1.26 O ATOM 0 H ASP A 18 78.048 15.766 -3.971 1.00 0.21 H new ATOM 0 HA ASP A 18 78.273 17.602 -1.757 1.00 0.25 H new ATOM 0 HB2 ASP A 18 77.346 19.157 -3.497 1.00 0.32 H new ATOM 0 HB3 ASP A 18 78.618 18.151 -4.164 1.00 0.32 H new ATOM 263 N GLU A 19 75.795 18.403 -1.301 1.00 0.29 N ATOM 264 CA GLU A 19 74.623 18.438 -0.361 1.00 0.30 C ATOM 265 C GLU A 19 73.362 17.845 -1.002 1.00 0.29 C ATOM 266 O GLU A 19 72.577 17.191 -0.338 1.00 0.27 O ATOM 267 CB GLU A 19 74.404 19.920 -0.044 1.00 0.38 C ATOM 268 CG GLU A 19 75.617 20.467 0.721 1.00 0.78 C ATOM 269 CD GLU A 19 75.387 21.937 1.106 1.00 1.02 C ATOM 270 OE1 GLU A 19 74.535 22.575 0.506 1.00 1.18 O ATOM 271 OE2 GLU A 19 76.073 22.400 2.003 1.00 1.47 O ATOM 0 H GLU A 19 76.243 19.305 -1.463 1.00 0.29 H new ATOM 0 HA GLU A 19 74.821 17.843 0.531 1.00 0.30 H new ATOM 0 HB2 GLU A 19 74.259 20.482 -0.967 1.00 0.38 H new ATOM 0 HB3 GLU A 19 73.499 20.045 0.551 1.00 0.38 H new ATOM 0 HG2 GLU A 19 75.788 19.872 1.618 1.00 0.78 H new ATOM 0 HG3 GLU A 19 76.512 20.381 0.106 1.00 0.78 H new ATOM 278 N VAL A 20 73.161 18.066 -2.279 1.00 0.32 N ATOM 279 CA VAL A 20 71.885 17.617 -2.929 1.00 0.34 C ATOM 280 C VAL A 20 71.900 16.095 -3.146 1.00 0.30 C ATOM 281 O VAL A 20 70.861 15.465 -3.217 1.00 0.31 O ATOM 282 CB VAL A 20 71.833 18.363 -4.271 1.00 0.40 C ATOM 283 CG1 VAL A 20 70.562 17.975 -5.035 1.00 0.43 C ATOM 284 CG2 VAL A 20 71.825 19.873 -4.017 1.00 0.44 C ATOM 0 H VAL A 20 73.821 18.536 -2.899 1.00 0.32 H new ATOM 0 HA VAL A 20 71.012 17.834 -2.314 1.00 0.34 H new ATOM 0 HB VAL A 20 72.708 18.093 -4.862 1.00 0.40 H new ATOM 0 HG11 VAL A 20 70.532 18.508 -5.985 1.00 0.43 H new ATOM 0 HG12 VAL A 20 70.563 16.901 -5.221 1.00 0.43 H new ATOM 0 HG13 VAL A 20 69.686 18.240 -4.443 1.00 0.43 H new ATOM 0 HG21 VAL A 20 71.788 20.402 -4.969 1.00 0.44 H new ATOM 0 HG22 VAL A 20 70.951 20.137 -3.421 1.00 0.44 H new ATOM 0 HG23 VAL A 20 72.730 20.156 -3.479 1.00 0.44 H new ATOM 294 N LEU A 21 73.068 15.508 -3.253 1.00 0.27 N ATOM 295 CA LEU A 21 73.160 14.034 -3.486 1.00 0.25 C ATOM 296 C LEU A 21 73.223 13.256 -2.161 1.00 0.18 C ATOM 297 O LEU A 21 72.982 12.063 -2.131 1.00 0.20 O ATOM 298 CB LEU A 21 74.455 13.864 -4.274 1.00 0.26 C ATOM 299 CG LEU A 21 74.287 14.459 -5.675 1.00 0.35 C ATOM 300 CD1 LEU A 21 75.624 14.407 -6.415 1.00 0.38 C ATOM 301 CD2 LEU A 21 73.246 13.648 -6.454 1.00 0.42 C ATOM 0 H LEU A 21 73.965 15.990 -3.188 1.00 0.27 H new ATOM 0 HA LEU A 21 72.288 13.646 -4.013 1.00 0.25 H new ATOM 0 HB2 LEU A 21 75.276 14.358 -3.754 1.00 0.26 H new ATOM 0 HB3 LEU A 21 74.713 12.807 -4.345 1.00 0.26 H new ATOM 0 HG LEU A 21 73.956 15.494 -5.591 1.00 0.35 H new ATOM 0 HD11 LEU A 21 75.505 14.830 -7.412 1.00 0.38 H new ATOM 0 HD12 LEU A 21 76.368 14.982 -5.863 1.00 0.38 H new ATOM 0 HD13 LEU A 21 75.954 13.371 -6.498 1.00 0.38 H new ATOM 0 HD21 LEU A 21 73.127 14.072 -7.451 1.00 0.42 H new ATOM 0 HD22 LEU A 21 73.578 12.613 -6.537 1.00 0.42 H new ATOM 0 HD23 LEU A 21 72.291 13.681 -5.929 1.00 0.42 H new ATOM 313 N GLY A 22 73.544 13.917 -1.072 1.00 0.13 N ATOM 314 CA GLY A 22 73.631 13.215 0.246 1.00 0.10 C ATOM 315 C GLY A 22 74.760 12.179 0.221 1.00 0.09 C ATOM 316 O GLY A 22 75.754 12.346 -0.464 1.00 0.09 O ATOM 0 H GLY A 22 73.750 14.916 -1.042 1.00 0.13 H new ATOM 0 HA2 GLY A 22 73.810 13.939 1.041 1.00 0.10 H new ATOM 0 HA3 GLY A 22 72.683 12.725 0.469 1.00 0.10 H new ATOM 320 N VAL A 23 74.614 11.110 0.967 1.00 0.10 N ATOM 321 CA VAL A 23 75.716 10.100 1.074 1.00 0.11 C ATOM 322 C VAL A 23 75.160 8.692 0.860 1.00 0.12 C ATOM 323 O VAL A 23 74.083 8.371 1.333 1.00 0.13 O ATOM 324 CB VAL A 23 76.266 10.232 2.502 1.00 0.12 C ATOM 325 CG1 VAL A 23 77.459 9.285 2.683 1.00 0.14 C ATOM 326 CG2 VAL A 23 76.718 11.674 2.759 1.00 0.12 C ATOM 0 H VAL A 23 73.777 10.892 1.508 1.00 0.10 H new ATOM 0 HA VAL A 23 76.489 10.268 0.324 1.00 0.11 H new ATOM 0 HB VAL A 23 75.480 9.971 3.211 1.00 0.12 H new ATOM 0 HG11 VAL A 23 77.848 9.380 3.697 1.00 0.14 H new ATOM 0 HG12 VAL A 23 77.137 8.258 2.512 1.00 0.14 H new ATOM 0 HG13 VAL A 23 78.241 9.544 1.969 1.00 0.14 H new ATOM 0 HG21 VAL A 23 77.106 11.758 3.774 1.00 0.12 H new ATOM 0 HG22 VAL A 23 77.499 11.943 2.048 1.00 0.12 H new ATOM 0 HG23 VAL A 23 75.870 12.348 2.638 1.00 0.12 H new ATOM 336 N PHE A 24 75.885 7.853 0.157 1.00 0.14 N ATOM 337 CA PHE A 24 75.470 6.423 0.043 1.00 0.17 C ATOM 338 C PHE A 24 76.663 5.500 0.314 1.00 0.18 C ATOM 339 O PHE A 24 77.804 5.902 0.215 1.00 0.18 O ATOM 340 CB PHE A 24 74.943 6.232 -1.389 1.00 0.19 C ATOM 341 CG PHE A 24 76.004 6.316 -2.469 1.00 0.19 C ATOM 342 CD1 PHE A 24 76.708 5.128 -2.857 1.00 0.23 C ATOM 343 CD2 PHE A 24 76.324 7.572 -3.089 1.00 0.16 C ATOM 344 CE1 PHE A 24 77.723 5.190 -3.867 1.00 0.24 C ATOM 345 CE2 PHE A 24 77.341 7.632 -4.098 1.00 0.19 C ATOM 346 CZ PHE A 24 78.038 6.443 -4.488 1.00 0.23 C ATOM 0 H PHE A 24 76.742 8.098 -0.340 1.00 0.14 H new ATOM 0 HA PHE A 24 74.701 6.174 0.774 1.00 0.17 H new ATOM 0 HB2 PHE A 24 74.452 5.261 -1.455 1.00 0.19 H new ATOM 0 HB3 PHE A 24 74.182 6.987 -1.586 1.00 0.19 H new ATOM 0 HD1 PHE A 24 76.473 4.185 -2.387 1.00 0.23 H new ATOM 0 HD2 PHE A 24 75.799 8.469 -2.796 1.00 0.16 H new ATOM 0 HE1 PHE A 24 78.250 4.294 -4.160 1.00 0.24 H new ATOM 0 HE2 PHE A 24 77.582 8.576 -4.565 1.00 0.19 H new ATOM 0 HZ PHE A 24 78.801 6.491 -5.250 1.00 0.23 H new ATOM 356 N GLN A 25 76.394 4.266 0.652 1.00 0.19 N ATOM 357 CA GLN A 25 77.489 3.275 0.865 1.00 0.18 C ATOM 358 C GLN A 25 77.103 1.944 0.216 1.00 0.18 C ATOM 359 O GLN A 25 75.940 1.581 0.186 1.00 0.22 O ATOM 360 CB GLN A 25 77.605 3.132 2.383 1.00 0.20 C ATOM 361 CG GLN A 25 78.001 4.482 2.990 1.00 0.20 C ATOM 362 CD GLN A 25 78.092 4.370 4.515 1.00 0.23 C ATOM 363 OE1 GLN A 25 78.119 3.284 5.063 1.00 0.30 O ATOM 364 NE2 GLN A 25 78.138 5.461 5.230 1.00 0.21 N ATOM 0 H GLN A 25 75.452 3.899 0.791 1.00 0.19 H new ATOM 0 HA GLN A 25 78.435 3.586 0.422 1.00 0.18 H new ATOM 0 HB2 GLN A 25 76.656 2.796 2.802 1.00 0.20 H new ATOM 0 HB3 GLN A 25 78.349 2.376 2.633 1.00 0.20 H new ATOM 0 HG2 GLN A 25 78.960 4.804 2.584 1.00 0.20 H new ATOM 0 HG3 GLN A 25 77.268 5.241 2.717 1.00 0.20 H new ATOM 0 HE21 GLN A 25 78.115 6.372 4.772 1.00 0.21 H new ATOM 0 HE22 GLN A 25 78.197 5.402 6.247 1.00 0.21 H new ATOM 373 N GLY A 26 78.065 1.222 -0.304 1.00 0.14 N ATOM 374 CA GLY A 26 77.744 -0.036 -1.045 1.00 0.12 C ATOM 375 C GLY A 26 79.033 -0.737 -1.470 1.00 0.09 C ATOM 376 O GLY A 26 80.115 -0.185 -1.367 1.00 0.09 O ATOM 0 H GLY A 26 79.058 1.450 -0.247 1.00 0.14 H new ATOM 0 HA2 GLY A 26 77.152 -0.698 -0.414 1.00 0.12 H new ATOM 0 HA3 GLY A 26 77.139 0.193 -1.922 1.00 0.12 H new ATOM 380 N LEU A 27 78.923 -1.955 -1.943 1.00 0.09 N ATOM 381 CA LEU A 27 80.107 -2.644 -2.535 1.00 0.09 C ATOM 382 C LEU A 27 80.189 -2.348 -4.034 1.00 0.11 C ATOM 383 O LEU A 27 79.202 -2.399 -4.745 1.00 0.13 O ATOM 384 CB LEU A 27 79.867 -4.135 -2.293 1.00 0.10 C ATOM 385 CG LEU A 27 79.920 -4.425 -0.792 1.00 0.11 C ATOM 386 CD1 LEU A 27 79.352 -5.821 -0.523 1.00 0.13 C ATOM 387 CD2 LEU A 27 81.376 -4.368 -0.313 1.00 0.13 C ATOM 0 H LEU A 27 78.061 -2.501 -1.943 1.00 0.09 H new ATOM 0 HA LEU A 27 81.045 -2.310 -2.091 1.00 0.09 H new ATOM 0 HB2 LEU A 27 78.898 -4.428 -2.696 1.00 0.10 H new ATOM 0 HB3 LEU A 27 80.621 -4.725 -2.815 1.00 0.10 H new ATOM 0 HG LEU A 27 79.330 -3.681 -0.257 1.00 0.11 H new ATOM 0 HD11 LEU A 27 79.389 -6.029 0.546 1.00 0.13 H new ATOM 0 HD12 LEU A 27 78.318 -5.865 -0.866 1.00 0.13 H new ATOM 0 HD13 LEU A 27 79.944 -6.564 -1.058 1.00 0.13 H new ATOM 0 HD21 LEU A 27 81.416 -4.574 0.757 1.00 0.13 H new ATOM 0 HD22 LEU A 27 81.965 -5.113 -0.848 1.00 0.13 H new ATOM 0 HD23 LEU A 27 81.784 -3.376 -0.506 1.00 0.13 H new ATOM 399 N ILE A 28 81.366 -2.040 -4.508 1.00 0.10 N ATOM 400 CA ILE A 28 81.536 -1.652 -5.944 1.00 0.11 C ATOM 401 C ILE A 28 81.256 -2.851 -6.861 1.00 0.11 C ATOM 402 O ILE A 28 81.677 -3.960 -6.593 1.00 0.12 O ATOM 403 CB ILE A 28 83.004 -1.202 -6.061 1.00 0.12 C ATOM 404 CG1 ILE A 28 83.236 0.009 -5.145 1.00 0.12 C ATOM 405 CG2 ILE A 28 83.339 -0.824 -7.513 1.00 0.13 C ATOM 406 CD1 ILE A 28 84.720 0.388 -5.151 1.00 0.14 C ATOM 0 H ILE A 28 82.226 -2.040 -3.960 1.00 0.10 H new ATOM 0 HA ILE A 28 80.844 -0.865 -6.245 1.00 0.11 H new ATOM 0 HB ILE A 28 83.652 -2.025 -5.759 1.00 0.12 H new ATOM 0 HG12 ILE A 28 82.635 0.853 -5.483 1.00 0.12 H new ATOM 0 HG13 ILE A 28 82.915 -0.225 -4.130 1.00 0.12 H new ATOM 0 HG21 ILE A 28 84.380 -0.509 -7.576 1.00 0.13 H new ATOM 0 HG22 ILE A 28 83.182 -1.688 -8.159 1.00 0.13 H new ATOM 0 HG23 ILE A 28 82.693 -0.007 -7.835 1.00 0.13 H new ATOM 0 HD11 ILE A 28 84.879 1.247 -4.500 1.00 0.14 H new ATOM 0 HD12 ILE A 28 85.312 -0.454 -4.792 1.00 0.14 H new ATOM 0 HD13 ILE A 28 85.027 0.640 -6.166 1.00 0.14 H new ATOM 418 N LYS A 29 80.544 -2.625 -7.938 1.00 0.12 N ATOM 419 CA LYS A 29 80.371 -3.691 -8.970 1.00 0.13 C ATOM 420 C LYS A 29 81.229 -3.371 -10.199 1.00 0.13 C ATOM 421 O LYS A 29 81.751 -4.258 -10.848 1.00 0.16 O ATOM 422 CB LYS A 29 78.887 -3.670 -9.336 1.00 0.18 C ATOM 423 CG LYS A 29 78.594 -4.800 -10.326 1.00 0.22 C ATOM 424 CD LYS A 29 77.139 -4.716 -10.789 1.00 1.14 C ATOM 425 CE LYS A 29 76.822 -5.908 -11.695 1.00 1.25 C ATOM 426 NZ LYS A 29 75.907 -5.365 -12.737 1.00 2.13 N ATOM 0 H LYS A 29 80.074 -1.744 -8.146 1.00 0.12 H new ATOM 0 HA LYS A 29 80.680 -4.670 -8.604 1.00 0.13 H new ATOM 0 HB2 LYS A 29 78.278 -3.789 -8.440 1.00 0.18 H new ATOM 0 HB3 LYS A 29 78.623 -2.708 -9.776 1.00 0.18 H new ATOM 0 HG2 LYS A 29 79.263 -4.728 -11.183 1.00 0.22 H new ATOM 0 HG3 LYS A 29 78.781 -5.766 -9.856 1.00 0.22 H new ATOM 0 HD2 LYS A 29 76.472 -4.713 -9.927 1.00 1.14 H new ATOM 0 HD3 LYS A 29 76.970 -3.783 -11.326 1.00 1.14 H new ATOM 0 HE2 LYS A 29 77.729 -6.318 -12.140 1.00 1.25 H new ATOM 0 HE3 LYS A 29 76.349 -6.715 -11.135 1.00 1.25 H new ATOM 0 HZ1 LYS A 29 75.644 -6.124 -13.398 1.00 2.13 H new ATOM 0 HZ2 LYS A 29 75.050 -4.988 -12.284 1.00 2.13 H new ATOM 0 HZ3 LYS A 29 76.387 -4.603 -13.258 1.00 2.13 H new ATOM 440 N GLN A 30 81.375 -2.107 -10.518 1.00 0.12 N ATOM 441 CA GLN A 30 82.187 -1.710 -11.712 1.00 0.14 C ATOM 442 C GLN A 30 82.766 -0.310 -11.495 1.00 0.12 C ATOM 443 O GLN A 30 82.185 0.507 -10.806 1.00 0.11 O ATOM 444 CB GLN A 30 81.223 -1.708 -12.905 1.00 0.17 C ATOM 445 CG GLN A 30 80.838 -3.142 -13.281 1.00 1.14 C ATOM 446 CD GLN A 30 79.968 -3.126 -14.541 1.00 1.31 C ATOM 447 OE1 GLN A 30 79.339 -2.133 -14.848 1.00 1.39 O ATOM 448 NE2 GLN A 30 79.906 -4.194 -15.288 1.00 2.08 N ATOM 0 H GLN A 30 80.965 -1.330 -10.000 1.00 0.12 H new ATOM 0 HA GLN A 30 83.019 -2.393 -11.881 1.00 0.14 H new ATOM 0 HB2 GLN A 30 80.328 -1.137 -12.657 1.00 0.17 H new ATOM 0 HB3 GLN A 30 81.690 -1.214 -13.757 1.00 0.17 H new ATOM 0 HG2 GLN A 30 81.735 -3.737 -13.454 1.00 1.14 H new ATOM 0 HG3 GLN A 30 80.297 -3.612 -12.459 1.00 1.14 H new ATOM 0 HE21 GLN A 30 80.434 -5.028 -15.030 1.00 2.08 H new ATOM 0 HE22 GLN A 30 79.330 -4.195 -16.129 1.00 2.08 H new ATOM 457 N ILE A 31 83.907 -0.030 -12.078 1.00 0.14 N ATOM 458 CA ILE A 31 84.541 1.312 -11.897 1.00 0.14 C ATOM 459 C ILE A 31 85.129 1.795 -13.225 1.00 0.16 C ATOM 460 O ILE A 31 85.747 1.041 -13.955 1.00 0.19 O ATOM 461 CB ILE A 31 85.647 1.123 -10.844 1.00 0.15 C ATOM 462 CG1 ILE A 31 85.029 0.602 -9.538 1.00 0.15 C ATOM 463 CG2 ILE A 31 86.351 2.467 -10.583 1.00 0.16 C ATOM 464 CD1 ILE A 31 86.129 0.330 -8.508 1.00 0.16 C ATOM 0 H ILE A 31 84.427 -0.675 -12.673 1.00 0.14 H new ATOM 0 HA ILE A 31 83.819 2.062 -11.573 1.00 0.14 H new ATOM 0 HB ILE A 31 86.376 0.402 -11.213 1.00 0.15 H new ATOM 0 HG12 ILE A 31 84.323 1.333 -9.144 1.00 0.15 H new ATOM 0 HG13 ILE A 31 84.467 -0.312 -9.731 1.00 0.15 H new ATOM 0 HG21 ILE A 31 87.133 2.329 -9.837 1.00 0.16 H new ATOM 0 HG22 ILE A 31 86.794 2.832 -11.510 1.00 0.16 H new ATOM 0 HG23 ILE A 31 85.625 3.193 -10.217 1.00 0.16 H new ATOM 0 HD11 ILE A 31 85.681 -0.039 -7.586 1.00 0.16 H new ATOM 0 HD12 ILE A 31 86.818 -0.417 -8.901 1.00 0.16 H new ATOM 0 HD13 ILE A 31 86.672 1.253 -8.304 1.00 0.16 H new ATOM 476 N SER A 32 84.935 3.051 -13.535 1.00 0.15 N ATOM 477 CA SER A 32 85.571 3.645 -14.747 1.00 0.17 C ATOM 478 C SER A 32 85.910 5.112 -14.480 1.00 0.17 C ATOM 479 O SER A 32 85.332 5.737 -13.612 1.00 0.16 O ATOM 480 CB SER A 32 84.525 3.526 -15.854 1.00 0.19 C ATOM 481 OG SER A 32 83.412 4.351 -15.537 1.00 0.17 O ATOM 0 H SER A 32 84.358 3.695 -12.995 1.00 0.15 H new ATOM 0 HA SER A 32 86.498 3.141 -15.020 1.00 0.17 H new ATOM 0 HB2 SER A 32 84.954 3.826 -16.810 1.00 0.19 H new ATOM 0 HB3 SER A 32 84.206 2.489 -15.959 1.00 0.19 H new ATOM 0 HG SER A 32 82.629 4.053 -16.046 1.00 0.17 H new ATOM 487 N ALA A 33 86.831 5.665 -15.225 1.00 0.20 N ATOM 488 CA ALA A 33 87.356 7.034 -14.899 1.00 0.21 C ATOM 489 C ALA A 33 86.220 8.065 -14.818 1.00 0.21 C ATOM 490 O ALA A 33 86.354 9.085 -14.168 1.00 0.23 O ATOM 491 CB ALA A 33 88.308 7.386 -16.046 1.00 0.24 C ATOM 0 H ALA A 33 87.246 5.230 -16.049 1.00 0.20 H new ATOM 0 HA ALA A 33 87.853 7.045 -13.929 1.00 0.21 H new ATOM 0 HB1 ALA A 33 88.732 8.376 -15.876 1.00 0.24 H new ATOM 0 HB2 ALA A 33 89.111 6.650 -16.091 1.00 0.24 H new ATOM 0 HB3 ALA A 33 87.760 7.382 -16.988 1.00 0.24 H new ATOM 497 N GLU A 34 85.109 7.807 -15.468 1.00 0.19 N ATOM 498 CA GLU A 34 84.019 8.830 -15.535 1.00 0.21 C ATOM 499 C GLU A 34 83.007 8.636 -14.399 1.00 0.20 C ATOM 500 O GLU A 34 82.351 9.576 -13.987 1.00 0.23 O ATOM 501 CB GLU A 34 83.353 8.612 -16.893 1.00 0.23 C ATOM 502 CG GLU A 34 84.365 8.890 -18.012 1.00 0.75 C ATOM 503 CD GLU A 34 83.697 8.744 -19.388 1.00 1.00 C ATOM 504 OE1 GLU A 34 82.652 8.114 -19.469 1.00 1.26 O ATOM 505 OE2 GLU A 34 84.248 9.266 -20.344 1.00 1.46 O ATOM 0 H GLU A 34 84.911 6.932 -15.954 1.00 0.19 H new ATOM 0 HA GLU A 34 84.409 9.842 -15.425 1.00 0.21 H new ATOM 0 HB2 GLU A 34 82.984 7.589 -16.968 1.00 0.23 H new ATOM 0 HB3 GLU A 34 82.491 9.271 -16.997 1.00 0.23 H new ATOM 0 HG2 GLU A 34 84.770 9.896 -17.903 1.00 0.75 H new ATOM 0 HG3 GLU A 34 85.203 8.198 -17.933 1.00 0.75 H new ATOM 512 N GLU A 35 82.874 7.433 -13.888 1.00 0.17 N ATOM 513 CA GLU A 35 81.784 7.151 -12.900 1.00 0.17 C ATOM 514 C GLU A 35 82.135 5.943 -12.021 1.00 0.14 C ATOM 515 O GLU A 35 82.921 5.096 -12.396 1.00 0.14 O ATOM 516 CB GLU A 35 80.536 6.872 -13.746 1.00 0.19 C ATOM 517 CG GLU A 35 80.783 5.671 -14.670 1.00 0.19 C ATOM 518 CD GLU A 35 79.582 5.468 -15.604 1.00 0.23 C ATOM 519 OE1 GLU A 35 78.488 5.870 -15.239 1.00 0.86 O ATOM 520 OE2 GLU A 35 79.780 4.910 -16.671 1.00 0.88 O ATOM 0 H GLU A 35 83.472 6.637 -14.112 1.00 0.17 H new ATOM 0 HA GLU A 35 81.632 7.986 -12.217 1.00 0.17 H new ATOM 0 HB2 GLU A 35 79.684 6.672 -13.096 1.00 0.19 H new ATOM 0 HB3 GLU A 35 80.285 7.751 -14.339 1.00 0.19 H new ATOM 0 HG2 GLU A 35 81.687 5.834 -15.257 1.00 0.19 H new ATOM 0 HG3 GLU A 35 80.947 4.772 -14.075 1.00 0.19 H new ATOM 527 N ILE A 36 81.550 5.868 -10.851 1.00 0.14 N ATOM 528 CA ILE A 36 81.690 4.643 -10.003 1.00 0.12 C ATOM 529 C ILE A 36 80.325 3.955 -9.869 1.00 0.11 C ATOM 530 O ILE A 36 79.313 4.614 -9.721 1.00 0.11 O ATOM 531 CB ILE A 36 82.171 5.146 -8.634 1.00 0.14 C ATOM 532 CG1 ILE A 36 83.485 5.941 -8.782 1.00 0.17 C ATOM 533 CG2 ILE A 36 82.396 3.954 -7.700 1.00 0.15 C ATOM 534 CD1 ILE A 36 84.576 5.065 -9.412 1.00 0.16 C ATOM 0 H ILE A 36 80.978 6.608 -10.444 1.00 0.14 H new ATOM 0 HA ILE A 36 82.385 3.920 -10.430 1.00 0.12 H new ATOM 0 HB ILE A 36 81.409 5.803 -8.215 1.00 0.14 H new ATOM 0 HG12 ILE A 36 83.316 6.822 -9.401 1.00 0.17 H new ATOM 0 HG13 ILE A 36 83.814 6.296 -7.805 1.00 0.17 H new ATOM 0 HG21 ILE A 36 82.737 4.312 -6.729 1.00 0.15 H new ATOM 0 HG22 ILE A 36 81.461 3.407 -7.577 1.00 0.15 H new ATOM 0 HG23 ILE A 36 83.150 3.293 -8.128 1.00 0.15 H new ATOM 0 HD11 ILE A 36 85.495 5.642 -9.509 1.00 0.16 H new ATOM 0 HD12 ILE A 36 84.757 4.197 -8.778 1.00 0.16 H new ATOM 0 HD13 ILE A 36 84.251 4.732 -10.398 1.00 0.16 H new ATOM 546 N THR A 37 80.290 2.642 -9.921 1.00 0.11 N ATOM 547 CA THR A 37 78.981 1.920 -9.866 1.00 0.11 C ATOM 548 C THR A 37 78.990 0.874 -8.743 1.00 0.11 C ATOM 549 O THR A 37 79.909 0.084 -8.632 1.00 0.12 O ATOM 550 CB THR A 37 78.850 1.238 -11.229 1.00 0.13 C ATOM 551 OG1 THR A 37 78.953 2.214 -12.256 1.00 0.14 O ATOM 552 CG2 THR A 37 77.495 0.534 -11.325 1.00 0.15 C ATOM 0 H THR A 37 81.111 2.042 -9.999 1.00 0.11 H new ATOM 0 HA THR A 37 78.149 2.594 -9.661 1.00 0.11 H new ATOM 0 HB THR A 37 79.646 0.502 -11.344 1.00 0.13 H new ATOM 0 HG1 THR A 37 78.871 1.779 -13.130 1.00 0.14 H new ATOM 0 HG21 THR A 37 77.405 0.049 -12.297 1.00 0.15 H new ATOM 0 HG22 THR A 37 77.418 -0.215 -10.537 1.00 0.15 H new ATOM 0 HG23 THR A 37 76.696 1.266 -11.209 1.00 0.15 H new ATOM 560 N ILE A 38 77.969 0.863 -7.918 1.00 0.12 N ATOM 561 CA ILE A 38 77.913 -0.113 -6.777 1.00 0.12 C ATOM 562 C ILE A 38 76.532 -0.779 -6.717 1.00 0.11 C ATOM 563 O ILE A 38 75.627 -0.414 -7.440 1.00 0.13 O ATOM 564 CB ILE A 38 78.156 0.696 -5.493 1.00 0.16 C ATOM 565 CG1 ILE A 38 77.141 1.843 -5.405 1.00 0.21 C ATOM 566 CG2 ILE A 38 79.578 1.264 -5.486 1.00 0.16 C ATOM 567 CD1 ILE A 38 76.850 2.162 -3.940 1.00 0.33 C ATOM 0 H ILE A 38 77.167 1.490 -7.985 1.00 0.12 H new ATOM 0 HA ILE A 38 78.659 -0.898 -6.899 1.00 0.12 H new ATOM 0 HB ILE A 38 78.035 0.037 -4.633 1.00 0.16 H new ATOM 0 HG12 ILE A 38 77.532 2.727 -5.909 1.00 0.21 H new ATOM 0 HG13 ILE A 38 76.219 1.566 -5.917 1.00 0.21 H new ATOM 0 HG21 ILE A 38 79.737 1.835 -4.571 1.00 0.16 H new ATOM 0 HG22 ILE A 38 80.297 0.446 -5.533 1.00 0.16 H new ATOM 0 HG23 ILE A 38 79.714 1.916 -6.349 1.00 0.16 H new ATOM 0 HD11 ILE A 38 76.129 2.977 -3.881 1.00 0.33 H new ATOM 0 HD12 ILE A 38 76.440 1.279 -3.450 1.00 0.33 H new ATOM 0 HD13 ILE A 38 77.773 2.458 -3.442 1.00 0.33 H new ATOM 579 N VAL A 39 76.373 -1.748 -5.850 1.00 0.11 N ATOM 580 CA VAL A 39 75.070 -2.485 -5.755 1.00 0.11 C ATOM 581 C VAL A 39 74.552 -2.482 -4.310 1.00 0.12 C ATOM 582 O VAL A 39 75.286 -2.206 -3.382 1.00 0.14 O ATOM 583 CB VAL A 39 75.370 -3.913 -6.225 1.00 0.15 C ATOM 584 CG1 VAL A 39 75.855 -3.874 -7.674 1.00 0.17 C ATOM 585 CG2 VAL A 39 76.459 -4.539 -5.344 1.00 0.17 C ATOM 0 H VAL A 39 77.092 -2.064 -5.199 1.00 0.11 H new ATOM 0 HA VAL A 39 74.296 -2.018 -6.364 1.00 0.11 H new ATOM 0 HB VAL A 39 74.462 -4.512 -6.152 1.00 0.15 H new ATOM 0 HG11 VAL A 39 76.070 -4.887 -8.013 1.00 0.17 H new ATOM 0 HG12 VAL A 39 75.081 -3.436 -8.305 1.00 0.17 H new ATOM 0 HG13 VAL A 39 76.760 -3.270 -7.739 1.00 0.17 H new ATOM 0 HG21 VAL A 39 76.665 -5.553 -5.686 1.00 0.17 H new ATOM 0 HG22 VAL A 39 77.369 -3.942 -5.410 1.00 0.17 H new ATOM 0 HG23 VAL A 39 76.118 -4.567 -4.309 1.00 0.17 H new ATOM 595 N ARG A 40 73.282 -2.784 -4.118 1.00 0.12 N ATOM 596 CA ARG A 40 72.674 -2.752 -2.741 1.00 0.15 C ATOM 597 C ARG A 40 72.856 -1.367 -2.113 1.00 0.18 C ATOM 598 O ARG A 40 73.573 -1.197 -1.146 1.00 0.30 O ATOM 599 CB ARG A 40 73.403 -3.826 -1.918 1.00 0.24 C ATOM 600 CG ARG A 40 73.242 -5.190 -2.597 1.00 0.37 C ATOM 601 CD ARG A 40 71.775 -5.623 -2.532 1.00 1.03 C ATOM 602 NE ARG A 40 71.749 -7.006 -3.108 1.00 1.24 N ATOM 603 CZ ARG A 40 70.766 -7.851 -2.846 1.00 1.77 C ATOM 604 NH1 ARG A 40 69.754 -7.525 -2.072 1.00 2.59 N ATOM 605 NH2 ARG A 40 70.799 -9.044 -3.374 1.00 1.84 N ATOM 0 H ARG A 40 72.638 -3.053 -4.862 1.00 0.12 H new ATOM 0 HA ARG A 40 71.603 -2.950 -2.774 1.00 0.15 H new ATOM 0 HB2 ARG A 40 74.460 -3.575 -1.829 1.00 0.24 H new ATOM 0 HB3 ARG A 40 72.997 -3.862 -0.907 1.00 0.24 H new ATOM 0 HG2 ARG A 40 73.569 -5.132 -3.635 1.00 0.37 H new ATOM 0 HG3 ARG A 40 73.873 -5.930 -2.104 1.00 0.37 H new ATOM 0 HD2 ARG A 40 71.407 -5.617 -1.506 1.00 1.03 H new ATOM 0 HD3 ARG A 40 71.139 -4.946 -3.103 1.00 1.03 H new ATOM 0 HE ARG A 40 72.510 -7.304 -3.719 1.00 1.24 H new ATOM 0 HH11 ARG A 40 69.711 -6.596 -1.653 1.00 2.59 H new ATOM 0 HH12 ARG A 40 69.012 -8.201 -1.891 1.00 2.59 H new ATOM 0 HH21 ARG A 40 71.575 -9.313 -3.979 1.00 1.84 H new ATOM 0 HH22 ARG A 40 70.049 -9.708 -3.182 1.00 1.84 H new ATOM 619 N ALA A 41 72.202 -0.380 -2.671 1.00 0.25 N ATOM 620 CA ALA A 41 72.428 1.033 -2.230 1.00 0.38 C ATOM 621 C ALA A 41 71.894 1.275 -0.813 1.00 0.24 C ATOM 622 O ALA A 41 70.737 1.028 -0.518 1.00 0.23 O ATOM 623 CB ALA A 41 71.652 1.890 -3.231 1.00 0.57 C ATOM 0 H ALA A 41 71.517 -0.492 -3.418 1.00 0.25 H new ATOM 0 HA ALA A 41 73.491 1.271 -2.204 1.00 0.38 H new ATOM 0 HB1 ALA A 41 71.768 2.943 -2.975 1.00 0.57 H new ATOM 0 HB2 ALA A 41 72.038 1.716 -4.235 1.00 0.57 H new ATOM 0 HB3 ALA A 41 70.596 1.623 -3.197 1.00 0.57 H new ATOM 629 N PHE A 42 72.735 1.759 0.064 1.00 0.19 N ATOM 630 CA PHE A 42 72.243 2.315 1.360 1.00 0.11 C ATOM 631 C PHE A 42 72.507 3.822 1.396 1.00 0.10 C ATOM 632 O PHE A 42 73.597 4.265 1.096 1.00 0.14 O ATOM 633 CB PHE A 42 73.043 1.598 2.451 1.00 0.19 C ATOM 634 CG PHE A 42 72.398 0.322 2.951 1.00 0.21 C ATOM 635 CD1 PHE A 42 72.521 -0.905 2.209 1.00 0.35 C ATOM 636 CD2 PHE A 42 71.659 0.339 4.182 1.00 0.24 C ATOM 637 CE1 PHE A 42 71.907 -2.105 2.699 1.00 0.40 C ATOM 638 CE2 PHE A 42 71.046 -0.863 4.671 1.00 0.26 C ATOM 639 CZ PHE A 42 71.170 -2.084 3.929 1.00 0.30 C ATOM 0 H PHE A 42 73.747 1.793 -0.063 1.00 0.19 H new ATOM 0 HA PHE A 42 71.172 2.164 1.498 1.00 0.11 H new ATOM 0 HB2 PHE A 42 74.035 1.364 2.065 1.00 0.19 H new ATOM 0 HB3 PHE A 42 73.180 2.277 3.292 1.00 0.19 H new ATOM 0 HD1 PHE A 42 73.076 -0.922 1.283 1.00 0.35 H new ATOM 0 HD2 PHE A 42 71.564 1.258 4.741 1.00 0.24 H new ATOM 0 HE1 PHE A 42 72.000 -3.025 2.141 1.00 0.40 H new ATOM 0 HE2 PHE A 42 70.491 -0.848 5.598 1.00 0.26 H new ATOM 0 HZ PHE A 42 70.708 -2.988 4.297 1.00 0.30 H new ATOM 649 N ARG A 43 71.523 4.606 1.759 1.00 0.09 N ATOM 650 CA ARG A 43 71.687 6.093 1.719 1.00 0.11 C ATOM 651 C ARG A 43 71.142 6.720 3.002 1.00 0.13 C ATOM 652 O ARG A 43 70.163 6.264 3.557 1.00 0.16 O ATOM 653 CB ARG A 43 70.871 6.548 0.510 1.00 0.17 C ATOM 654 CG ARG A 43 71.101 8.041 0.272 1.00 1.01 C ATOM 655 CD ARG A 43 70.347 8.479 -0.987 1.00 0.98 C ATOM 656 NE ARG A 43 68.896 8.383 -0.629 1.00 1.65 N ATOM 657 CZ ARG A 43 67.956 8.277 -1.553 1.00 1.99 C ATOM 658 NH1 ARG A 43 68.240 8.258 -2.837 1.00 2.64 N ATOM 659 NH2 ARG A 43 66.709 8.192 -1.179 1.00 1.91 N ATOM 0 H ARG A 43 70.612 4.281 2.082 1.00 0.09 H new ATOM 0 HA ARG A 43 72.732 6.392 1.641 1.00 0.11 H new ATOM 0 HB2 ARG A 43 71.162 5.979 -0.373 1.00 0.17 H new ATOM 0 HB3 ARG A 43 69.812 6.355 0.679 1.00 0.17 H new ATOM 0 HG2 ARG A 43 70.757 8.615 1.133 1.00 1.01 H new ATOM 0 HG3 ARG A 43 72.166 8.242 0.159 1.00 1.01 H new ATOM 0 HD2 ARG A 43 70.616 9.496 -1.273 1.00 0.98 H new ATOM 0 HD3 ARG A 43 70.587 7.836 -1.834 1.00 0.98 H new ATOM 0 HE ARG A 43 68.625 8.400 0.354 1.00 1.65 H new ATOM 0 HH11 ARG A 43 69.210 8.326 -3.146 1.00 2.64 H new ATOM 0 HH12 ARG A 43 67.491 8.175 -3.524 1.00 2.64 H new ATOM 0 HH21 ARG A 43 66.472 8.208 -0.187 1.00 1.91 H new ATOM 0 HH22 ARG A 43 65.971 8.110 -1.879 1.00 1.91 H new ATOM 673 N ASN A 44 71.776 7.765 3.482 1.00 0.16 N ATOM 674 CA ASN A 44 71.291 8.462 4.725 1.00 0.21 C ATOM 675 C ASN A 44 71.103 7.466 5.882 1.00 0.23 C ATOM 676 O ASN A 44 70.153 7.551 6.636 1.00 0.28 O ATOM 677 CB ASN A 44 69.949 9.101 4.346 1.00 0.24 C ATOM 678 CG ASN A 44 70.148 10.073 3.178 1.00 0.26 C ATOM 679 OD1 ASN A 44 69.380 10.074 2.237 1.00 0.28 O ATOM 680 ND2 ASN A 44 71.153 10.907 3.199 1.00 0.27 N ATOM 0 H ASN A 44 72.614 8.170 3.065 1.00 0.16 H new ATOM 0 HA ASN A 44 72.012 9.204 5.068 1.00 0.21 H new ATOM 0 HB2 ASN A 44 69.233 8.327 4.069 1.00 0.24 H new ATOM 0 HB3 ASN A 44 69.532 9.629 5.204 1.00 0.24 H new ATOM 0 HD21 ASN A 44 71.292 11.558 2.426 1.00 0.27 H new ATOM 0 HD22 ASN A 44 71.799 10.908 3.988 1.00 0.27 H new ATOM 687 N GLY A 45 72.007 6.527 6.017 1.00 0.22 N ATOM 688 CA GLY A 45 71.958 5.580 7.174 1.00 0.28 C ATOM 689 C GLY A 45 70.666 4.751 7.154 1.00 0.27 C ATOM 690 O GLY A 45 70.246 4.235 8.174 1.00 0.32 O ATOM 0 H GLY A 45 72.782 6.375 5.371 1.00 0.22 H new ATOM 0 HA2 GLY A 45 72.821 4.915 7.141 1.00 0.28 H new ATOM 0 HA3 GLY A 45 72.021 6.138 8.108 1.00 0.28 H new ATOM 694 N VAL A 46 70.035 4.618 6.009 1.00 0.21 N ATOM 695 CA VAL A 46 68.845 3.717 5.902 1.00 0.22 C ATOM 696 C VAL A 46 68.840 3.017 4.526 1.00 0.18 C ATOM 697 O VAL A 46 69.357 3.556 3.570 1.00 0.16 O ATOM 698 CB VAL A 46 67.634 4.647 6.078 1.00 0.25 C ATOM 699 CG1 VAL A 46 66.325 3.885 5.834 1.00 0.28 C ATOM 700 CG2 VAL A 46 67.633 5.183 7.508 1.00 0.31 C ATOM 0 H VAL A 46 70.294 5.095 5.146 1.00 0.21 H new ATOM 0 HA VAL A 46 68.841 2.921 6.647 1.00 0.22 H new ATOM 0 HB VAL A 46 67.706 5.462 5.358 1.00 0.25 H new ATOM 0 HG11 VAL A 46 65.480 4.562 5.964 1.00 0.28 H new ATOM 0 HG12 VAL A 46 66.319 3.488 4.819 1.00 0.28 H new ATOM 0 HG13 VAL A 46 66.244 3.063 6.546 1.00 0.28 H new ATOM 0 HG21 VAL A 46 66.778 5.845 7.648 1.00 0.31 H new ATOM 0 HG22 VAL A 46 67.566 4.351 8.209 1.00 0.31 H new ATOM 0 HG23 VAL A 46 68.554 5.736 7.690 1.00 0.31 H new ATOM 710 N PRO A 47 68.255 1.832 4.456 1.00 0.22 N ATOM 711 CA PRO A 47 68.287 1.056 3.190 1.00 0.24 C ATOM 712 C PRO A 47 67.370 1.704 2.146 1.00 0.29 C ATOM 713 O PRO A 47 66.265 2.114 2.454 1.00 0.35 O ATOM 714 CB PRO A 47 67.768 -0.336 3.581 1.00 0.33 C ATOM 715 CG PRO A 47 67.629 -0.327 5.074 1.00 0.32 C ATOM 716 CD PRO A 47 67.522 1.109 5.505 1.00 0.28 C ATOM 0 HA PRO A 47 69.282 1.015 2.747 1.00 0.24 H new ATOM 0 HB2 PRO A 47 66.811 -0.543 3.102 1.00 0.33 H new ATOM 0 HB3 PRO A 47 68.460 -1.114 3.259 1.00 0.33 H new ATOM 0 HG2 PRO A 47 66.746 -0.887 5.381 1.00 0.32 H new ATOM 0 HG3 PRO A 47 68.489 -0.806 5.543 1.00 0.32 H new ATOM 0 HD2 PRO A 47 66.483 1.434 5.567 1.00 0.28 H new ATOM 0 HD3 PRO A 47 67.965 1.268 6.488 1.00 0.28 H new ATOM 724 N LEU A 48 67.821 1.796 0.917 1.00 0.30 N ATOM 725 CA LEU A 48 66.947 2.341 -0.169 1.00 0.42 C ATOM 726 C LEU A 48 65.948 1.277 -0.630 1.00 0.52 C ATOM 727 O LEU A 48 66.243 0.096 -0.628 1.00 0.89 O ATOM 728 CB LEU A 48 67.901 2.722 -1.304 1.00 0.45 C ATOM 729 CG LEU A 48 68.848 3.829 -0.828 1.00 0.50 C ATOM 730 CD1 LEU A 48 69.896 4.119 -1.911 1.00 0.59 C ATOM 731 CD2 LEU A 48 68.040 5.103 -0.540 1.00 0.61 C ATOM 0 H LEU A 48 68.756 1.517 0.620 1.00 0.30 H new ATOM 0 HA LEU A 48 66.361 3.197 0.166 1.00 0.42 H new ATOM 0 HB2 LEU A 48 68.474 1.850 -1.620 1.00 0.45 H new ATOM 0 HB3 LEU A 48 67.334 3.062 -2.171 1.00 0.45 H new ATOM 0 HG LEU A 48 69.354 3.504 0.081 1.00 0.50 H new ATOM 0 HD11 LEU A 48 70.566 4.907 -1.567 1.00 0.59 H new ATOM 0 HD12 LEU A 48 70.471 3.215 -2.112 1.00 0.59 H new ATOM 0 HD13 LEU A 48 69.396 4.441 -2.824 1.00 0.59 H new ATOM 0 HD21 LEU A 48 68.712 5.891 -0.201 1.00 0.61 H new ATOM 0 HD22 LEU A 48 67.532 5.425 -1.449 1.00 0.61 H new ATOM 0 HD23 LEU A 48 67.302 4.898 0.235 1.00 0.61 H new ATOM 743 N ARG A 49 64.768 1.691 -1.027 1.00 0.53 N ATOM 744 CA ARG A 49 63.720 0.708 -1.461 1.00 0.62 C ATOM 745 C ARG A 49 64.234 -0.146 -2.624 1.00 0.65 C ATOM 746 O ARG A 49 63.906 -1.313 -2.739 1.00 1.22 O ATOM 747 CB ARG A 49 62.527 1.556 -1.911 1.00 0.79 C ATOM 748 CG ARG A 49 61.978 2.342 -0.720 1.00 1.53 C ATOM 749 CD ARG A 49 60.732 3.121 -1.154 1.00 1.84 C ATOM 750 NE ARG A 49 60.409 4.021 0.000 1.00 2.34 N ATOM 751 CZ ARG A 49 59.205 4.546 0.155 1.00 2.97 C ATOM 752 NH1 ARG A 49 58.226 4.309 -0.691 1.00 3.51 N ATOM 753 NH2 ARG A 49 58.982 5.326 1.177 1.00 3.48 N ATOM 0 H ARG A 49 64.483 2.670 -1.070 1.00 0.53 H new ATOM 0 HA ARG A 49 63.452 0.023 -0.657 1.00 0.62 H new ATOM 0 HB2 ARG A 49 62.833 2.241 -2.702 1.00 0.79 H new ATOM 0 HB3 ARG A 49 61.749 0.916 -2.327 1.00 0.79 H new ATOM 0 HG2 ARG A 49 61.730 1.662 0.095 1.00 1.53 H new ATOM 0 HG3 ARG A 49 62.736 3.028 -0.343 1.00 1.53 H new ATOM 0 HD2 ARG A 49 60.923 3.696 -2.060 1.00 1.84 H new ATOM 0 HD3 ARG A 49 59.903 2.448 -1.372 1.00 1.84 H new ATOM 0 HE ARG A 49 61.136 4.234 0.683 1.00 2.34 H new ATOM 0 HH11 ARG A 49 58.384 3.704 -1.497 1.00 3.51 H new ATOM 0 HH12 ARG A 49 57.309 4.730 -0.541 1.00 3.51 H new ATOM 0 HH21 ARG A 49 59.731 5.523 1.841 1.00 3.48 H new ATOM 0 HH22 ARG A 49 58.059 5.739 1.311 1.00 3.48 H new ATOM 767 N LYS A 50 65.036 0.432 -3.485 1.00 0.55 N ATOM 768 CA LYS A 50 65.572 -0.330 -4.654 1.00 0.60 C ATOM 769 C LYS A 50 66.873 -1.044 -4.266 1.00 0.53 C ATOM 770 O LYS A 50 67.936 -0.742 -4.779 1.00 0.57 O ATOM 771 CB LYS A 50 65.831 0.727 -5.728 1.00 0.77 C ATOM 772 CG LYS A 50 64.508 1.387 -6.125 1.00 1.24 C ATOM 773 CD LYS A 50 64.749 2.359 -7.281 1.00 1.66 C ATOM 774 CE LYS A 50 63.454 3.112 -7.596 1.00 2.34 C ATOM 775 NZ LYS A 50 63.390 4.207 -6.588 1.00 2.85 N ATOM 0 H LYS A 50 65.343 1.403 -3.427 1.00 0.55 H new ATOM 0 HA LYS A 50 64.883 -1.099 -5.002 1.00 0.60 H new ATOM 0 HB2 LYS A 50 66.526 1.478 -5.354 1.00 0.77 H new ATOM 0 HB3 LYS A 50 66.297 0.268 -6.600 1.00 0.77 H new ATOM 0 HG2 LYS A 50 63.784 0.627 -6.420 1.00 1.24 H new ATOM 0 HG3 LYS A 50 64.084 1.917 -5.272 1.00 1.24 H new ATOM 0 HD2 LYS A 50 65.537 3.064 -7.018 1.00 1.66 H new ATOM 0 HD3 LYS A 50 65.089 1.815 -8.162 1.00 1.66 H new ATOM 0 HE2 LYS A 50 63.466 3.510 -8.611 1.00 2.34 H new ATOM 0 HE3 LYS A 50 62.587 2.455 -7.521 1.00 2.34 H new ATOM 0 HZ1 LYS A 50 62.433 4.251 -6.183 1.00 2.85 H new ATOM 0 HZ2 LYS A 50 64.078 4.022 -5.831 1.00 2.85 H new ATOM 0 HZ3 LYS A 50 63.614 5.114 -7.046 1.00 2.85 H new ATOM 789 N GLN A 51 66.790 -1.989 -3.362 1.00 0.56 N ATOM 790 CA GLN A 51 68.020 -2.715 -2.902 1.00 0.59 C ATOM 791 C GLN A 51 68.706 -3.405 -4.087 1.00 0.45 C ATOM 792 O GLN A 51 69.919 -3.425 -4.186 1.00 0.45 O ATOM 793 CB GLN A 51 67.524 -3.757 -1.895 1.00 0.74 C ATOM 794 CG GLN A 51 68.718 -4.364 -1.156 1.00 1.23 C ATOM 795 CD GLN A 51 69.241 -3.363 -0.125 1.00 1.47 C ATOM 796 OE1 GLN A 51 68.517 -2.948 0.758 1.00 1.57 O ATOM 797 NE2 GLN A 51 70.479 -2.957 -0.197 1.00 1.93 N ATOM 0 H GLN A 51 65.922 -2.291 -2.920 1.00 0.56 H new ATOM 0 HA GLN A 51 68.750 -2.037 -2.460 1.00 0.59 H new ATOM 0 HB2 GLN A 51 66.840 -3.294 -1.184 1.00 0.74 H new ATOM 0 HB3 GLN A 51 66.966 -4.539 -2.410 1.00 0.74 H new ATOM 0 HG2 GLN A 51 68.422 -5.290 -0.662 1.00 1.23 H new ATOM 0 HG3 GLN A 51 69.507 -4.619 -1.864 1.00 1.23 H new ATOM 0 HE21 GLN A 51 71.088 -3.305 -0.938 1.00 1.93 H new ATOM 0 HE22 GLN A 51 70.838 -2.292 0.488 1.00 1.93 H new ATOM 806 N ASN A 52 67.934 -3.967 -4.982 1.00 0.37 N ATOM 807 CA ASN A 52 68.526 -4.692 -6.153 1.00 0.32 C ATOM 808 C ASN A 52 69.143 -3.704 -7.151 1.00 0.29 C ATOM 809 O ASN A 52 70.051 -4.047 -7.887 1.00 0.34 O ATOM 810 CB ASN A 52 67.356 -5.441 -6.799 1.00 0.38 C ATOM 811 CG ASN A 52 67.894 -6.492 -7.773 1.00 1.21 C ATOM 812 OD1 ASN A 52 69.019 -6.935 -7.649 1.00 2.06 O ATOM 813 ND2 ASN A 52 67.131 -6.914 -8.744 1.00 1.75 N ATOM 0 H ASN A 52 66.914 -3.956 -4.954 1.00 0.37 H new ATOM 0 HA ASN A 52 69.325 -5.367 -5.845 1.00 0.32 H new ATOM 0 HB2 ASN A 52 66.749 -5.920 -6.031 1.00 0.38 H new ATOM 0 HB3 ASN A 52 66.709 -4.740 -7.326 1.00 0.38 H new ATOM 0 HD21 ASN A 52 67.479 -7.615 -9.398 1.00 1.75 H new ATOM 0 HD22 ASN A 52 66.187 -6.543 -8.849 1.00 1.75 H new ATOM 820 N ALA A 53 68.660 -2.484 -7.180 1.00 0.33 N ATOM 821 CA ALA A 53 69.106 -1.519 -8.234 1.00 0.37 C ATOM 822 C ALA A 53 70.527 -1.030 -7.945 1.00 0.26 C ATOM 823 O ALA A 53 70.909 -0.846 -6.804 1.00 0.24 O ATOM 824 CB ALA A 53 68.115 -0.355 -8.164 1.00 0.51 C ATOM 0 H ALA A 53 67.976 -2.116 -6.519 1.00 0.33 H new ATOM 0 HA ALA A 53 69.124 -1.978 -9.223 1.00 0.37 H new ATOM 0 HB1 ALA A 53 68.380 0.394 -8.911 1.00 0.51 H new ATOM 0 HB2 ALA A 53 67.108 -0.722 -8.360 1.00 0.51 H new ATOM 0 HB3 ALA A 53 68.151 0.094 -7.171 1.00 0.51 H new ATOM 830 N GLU A 54 71.308 -0.821 -8.977 1.00 0.29 N ATOM 831 CA GLU A 54 72.707 -0.331 -8.782 1.00 0.27 C ATOM 832 C GLU A 54 72.742 1.206 -8.757 1.00 0.23 C ATOM 833 O GLU A 54 71.929 1.865 -9.379 1.00 0.25 O ATOM 834 CB GLU A 54 73.510 -0.898 -9.971 1.00 0.39 C ATOM 835 CG GLU A 54 73.066 -0.266 -11.304 1.00 0.46 C ATOM 836 CD GLU A 54 73.846 -0.892 -12.466 1.00 0.61 C ATOM 837 OE1 GLU A 54 74.955 -1.349 -12.241 1.00 1.02 O ATOM 838 OE2 GLU A 54 73.318 -0.902 -13.566 1.00 1.06 O ATOM 0 H GLU A 54 71.035 -0.969 -9.949 1.00 0.29 H new ATOM 0 HA GLU A 54 73.129 -0.658 -7.831 1.00 0.27 H new ATOM 0 HB2 GLU A 54 74.573 -0.713 -9.815 1.00 0.39 H new ATOM 0 HB3 GLU A 54 73.379 -1.979 -10.018 1.00 0.39 H new ATOM 0 HG2 GLU A 54 71.996 -0.418 -11.450 1.00 0.46 H new ATOM 0 HG3 GLU A 54 73.235 0.811 -11.280 1.00 0.46 H new ATOM 845 N VAL A 55 73.682 1.768 -8.040 1.00 0.19 N ATOM 846 CA VAL A 55 73.842 3.256 -8.022 1.00 0.15 C ATOM 847 C VAL A 55 75.014 3.646 -8.920 1.00 0.12 C ATOM 848 O VAL A 55 76.108 3.137 -8.763 1.00 0.12 O ATOM 849 CB VAL A 55 74.154 3.611 -6.561 1.00 0.16 C ATOM 850 CG1 VAL A 55 74.327 5.128 -6.417 1.00 0.14 C ATOM 851 CG2 VAL A 55 73.006 3.154 -5.658 1.00 0.21 C ATOM 0 H VAL A 55 74.350 1.258 -7.462 1.00 0.19 H new ATOM 0 HA VAL A 55 72.955 3.777 -8.383 1.00 0.15 H new ATOM 0 HB VAL A 55 75.075 3.108 -6.268 1.00 0.16 H new ATOM 0 HG11 VAL A 55 74.548 5.372 -5.378 1.00 0.14 H new ATOM 0 HG12 VAL A 55 75.148 5.462 -7.051 1.00 0.14 H new ATOM 0 HG13 VAL A 55 73.408 5.629 -6.720 1.00 0.14 H new ATOM 0 HG21 VAL A 55 73.234 3.409 -4.623 1.00 0.21 H new ATOM 0 HG22 VAL A 55 72.085 3.652 -5.960 1.00 0.21 H new ATOM 0 HG23 VAL A 55 72.881 2.075 -5.747 1.00 0.21 H new ATOM 861 N VAL A 56 74.795 4.538 -9.854 1.00 0.12 N ATOM 862 CA VAL A 56 75.918 4.997 -10.728 1.00 0.11 C ATOM 863 C VAL A 56 76.052 6.514 -10.634 1.00 0.11 C ATOM 864 O VAL A 56 75.181 7.252 -11.061 1.00 0.13 O ATOM 865 CB VAL A 56 75.566 4.573 -12.157 1.00 0.15 C ATOM 866 CG1 VAL A 56 76.757 4.885 -13.060 1.00 0.16 C ATOM 867 CG2 VAL A 56 75.278 3.068 -12.211 1.00 0.17 C ATOM 0 H VAL A 56 73.890 4.967 -10.049 1.00 0.12 H new ATOM 0 HA VAL A 56 76.869 4.560 -10.423 1.00 0.11 H new ATOM 0 HB VAL A 56 74.679 5.113 -12.488 1.00 0.15 H new ATOM 0 HG11 VAL A 56 76.525 4.590 -14.083 1.00 0.16 H new ATOM 0 HG12 VAL A 56 76.966 5.954 -13.030 1.00 0.16 H new ATOM 0 HG13 VAL A 56 77.631 4.334 -12.713 1.00 0.16 H new ATOM 0 HG21 VAL A 56 75.029 2.782 -13.233 1.00 0.17 H new ATOM 0 HG22 VAL A 56 76.160 2.517 -11.884 1.00 0.17 H new ATOM 0 HG23 VAL A 56 74.440 2.834 -11.555 1.00 0.17 H new ATOM 877 N LEU A 57 77.136 6.978 -10.077 1.00 0.09 N ATOM 878 CA LEU A 57 77.291 8.439 -9.820 1.00 0.10 C ATOM 879 C LEU A 57 78.620 8.943 -10.388 1.00 0.12 C ATOM 880 O LEU A 57 79.656 8.331 -10.202 1.00 0.14 O ATOM 881 CB LEU A 57 77.224 8.549 -8.299 1.00 0.10 C ATOM 882 CG LEU A 57 75.749 8.578 -7.880 1.00 0.11 C ATOM 883 CD1 LEU A 57 75.587 7.954 -6.498 1.00 0.11 C ATOM 884 CD2 LEU A 57 75.269 10.030 -7.822 1.00 0.15 C ATOM 0 H LEU A 57 77.928 6.404 -9.786 1.00 0.09 H new ATOM 0 HA LEU A 57 76.528 9.052 -10.300 1.00 0.10 H new ATOM 0 HB2 LEU A 57 77.733 7.704 -7.835 1.00 0.10 H new ATOM 0 HB3 LEU A 57 77.732 9.452 -7.961 1.00 0.10 H new ATOM 0 HG LEU A 57 75.163 8.015 -8.606 1.00 0.11 H new ATOM 0 HD11 LEU A 57 74.536 7.979 -6.208 1.00 0.11 H new ATOM 0 HD12 LEU A 57 75.932 6.920 -6.523 1.00 0.11 H new ATOM 0 HD13 LEU A 57 76.176 8.516 -5.774 1.00 0.11 H new ATOM 0 HD21 LEU A 57 74.221 10.055 -7.524 1.00 0.15 H new ATOM 0 HD22 LEU A 57 75.866 10.582 -7.096 1.00 0.15 H new ATOM 0 HD23 LEU A 57 75.378 10.489 -8.805 1.00 0.15 H new ATOM 896 N LYS A 58 78.590 10.054 -11.082 1.00 0.14 N ATOM 897 CA LYS A 58 79.829 10.571 -11.746 1.00 0.16 C ATOM 898 C LYS A 58 80.796 11.142 -10.704 1.00 0.15 C ATOM 899 O LYS A 58 80.399 11.855 -9.801 1.00 0.15 O ATOM 900 CB LYS A 58 79.347 11.670 -12.697 1.00 0.18 C ATOM 901 CG LYS A 58 80.489 12.082 -13.629 1.00 0.82 C ATOM 902 CD LYS A 58 79.996 13.163 -14.592 1.00 0.86 C ATOM 903 CE LYS A 58 81.111 13.512 -15.582 1.00 1.73 C ATOM 904 NZ LYS A 58 80.405 13.926 -16.826 1.00 1.87 N ATOM 0 H LYS A 58 77.758 10.628 -11.218 1.00 0.14 H new ATOM 0 HA LYS A 58 80.368 9.785 -12.276 1.00 0.16 H new ATOM 0 HB2 LYS A 58 78.499 11.313 -13.281 1.00 0.18 H new ATOM 0 HB3 LYS A 58 79.001 12.532 -12.127 1.00 0.18 H new ATOM 0 HG2 LYS A 58 81.331 12.455 -13.047 1.00 0.82 H new ATOM 0 HG3 LYS A 58 80.846 11.217 -14.188 1.00 0.82 H new ATOM 0 HD2 LYS A 58 79.115 12.812 -15.129 1.00 0.86 H new ATOM 0 HD3 LYS A 58 79.697 14.052 -14.036 1.00 0.86 H new ATOM 0 HE2 LYS A 58 81.741 14.315 -15.200 1.00 1.73 H new ATOM 0 HE3 LYS A 58 81.761 12.656 -15.763 1.00 1.73 H new ATOM 0 HZ1 LYS A 58 81.104 14.181 -17.553 1.00 1.87 H new ATOM 0 HZ2 LYS A 58 79.818 13.139 -17.170 1.00 1.87 H new ATOM 0 HZ3 LYS A 58 79.800 14.747 -16.625 1.00 1.87 H new ATOM 918 N CYS A 59 82.065 10.831 -10.827 1.00 0.18 N ATOM 919 CA CYS A 59 83.078 11.320 -9.830 1.00 0.21 C ATOM 920 C CYS A 59 83.014 12.848 -9.676 1.00 0.19 C ATOM 921 O CYS A 59 83.240 13.381 -8.605 1.00 0.20 O ATOM 922 CB CYS A 59 84.446 10.890 -10.387 1.00 0.27 C ATOM 923 SG CYS A 59 84.718 11.601 -12.036 1.00 0.28 S ATOM 0 H CYS A 59 82.447 10.257 -11.578 1.00 0.18 H new ATOM 0 HA CYS A 59 82.892 10.903 -8.840 1.00 0.21 H new ATOM 0 HB2 CYS A 59 85.238 11.213 -9.711 1.00 0.27 H new ATOM 0 HB3 CYS A 59 84.497 9.803 -10.441 1.00 0.27 H new ATOM 0 HG CYS A 59 85.239 10.701 -12.816 1.00 0.28 H new ATOM 929 N THR A 60 82.706 13.548 -10.741 1.00 0.19 N ATOM 930 CA THR A 60 82.625 15.043 -10.669 1.00 0.21 C ATOM 931 C THR A 60 81.482 15.468 -9.741 1.00 0.20 C ATOM 932 O THR A 60 81.502 16.549 -9.180 1.00 0.23 O ATOM 933 CB THR A 60 82.353 15.512 -12.102 1.00 0.25 C ATOM 934 OG1 THR A 60 81.121 14.967 -12.550 1.00 0.24 O ATOM 935 CG2 THR A 60 83.485 15.052 -13.023 1.00 0.28 C ATOM 0 H THR A 60 82.507 13.149 -11.658 1.00 0.19 H new ATOM 0 HA THR A 60 83.541 15.479 -10.271 1.00 0.21 H new ATOM 0 HB THR A 60 82.299 16.600 -12.122 1.00 0.25 H new ATOM 0 HG1 THR A 60 80.564 15.681 -12.924 1.00 0.24 H new ATOM 0 HG21 THR A 60 83.286 15.389 -14.040 1.00 0.28 H new ATOM 0 HG22 THR A 60 84.429 15.475 -12.679 1.00 0.28 H new ATOM 0 HG23 THR A 60 83.548 13.964 -13.007 1.00 0.28 H new ATOM 943 N ASP A 61 80.488 14.626 -9.577 1.00 0.18 N ATOM 944 CA ASP A 61 79.371 14.947 -8.637 1.00 0.19 C ATOM 945 C ASP A 61 79.722 14.470 -7.223 1.00 0.17 C ATOM 946 O ASP A 61 79.219 14.989 -6.244 1.00 0.17 O ATOM 947 CB ASP A 61 78.156 14.191 -9.181 1.00 0.22 C ATOM 948 CG ASP A 61 77.800 14.712 -10.577 1.00 0.46 C ATOM 949 OD1 ASP A 61 78.049 15.879 -10.840 1.00 0.68 O ATOM 950 OD2 ASP A 61 77.283 13.934 -11.362 1.00 0.60 O ATOM 0 H ASP A 61 80.404 13.729 -10.056 1.00 0.18 H new ATOM 0 HA ASP A 61 79.179 16.018 -8.572 1.00 0.19 H new ATOM 0 HB2 ASP A 61 78.371 13.123 -9.226 1.00 0.22 H new ATOM 0 HB3 ASP A 61 77.307 14.317 -8.509 1.00 0.22 H new ATOM 955 N ILE A 62 80.581 13.484 -7.114 1.00 0.16 N ATOM 956 CA ILE A 62 81.049 13.030 -5.768 1.00 0.14 C ATOM 957 C ILE A 62 82.158 13.963 -5.268 1.00 0.14 C ATOM 958 O ILE A 62 82.971 14.438 -6.041 1.00 0.18 O ATOM 959 CB ILE A 62 81.590 11.610 -5.983 1.00 0.15 C ATOM 960 CG1 ILE A 62 80.476 10.711 -6.530 1.00 0.17 C ATOM 961 CG2 ILE A 62 82.087 11.039 -4.653 1.00 0.16 C ATOM 962 CD1 ILE A 62 81.055 9.345 -6.902 1.00 0.19 C ATOM 0 H ILE A 62 80.978 12.974 -7.903 1.00 0.16 H new ATOM 0 HA ILE A 62 80.253 13.044 -5.023 1.00 0.14 H new ATOM 0 HB ILE A 62 82.414 11.648 -6.695 1.00 0.15 H new ATOM 0 HG12 ILE A 62 79.691 10.593 -5.784 1.00 0.17 H new ATOM 0 HG13 ILE A 62 80.018 11.173 -7.404 1.00 0.17 H new ATOM 0 HG21 ILE A 62 82.470 10.031 -4.810 1.00 0.16 H new ATOM 0 HG22 ILE A 62 82.882 11.672 -4.260 1.00 0.16 H new ATOM 0 HG23 ILE A 62 81.263 11.007 -3.940 1.00 0.16 H new ATOM 0 HD11 ILE A 62 80.261 8.707 -7.291 1.00 0.19 H new ATOM 0 HD12 ILE A 62 81.825 9.471 -7.663 1.00 0.19 H new ATOM 0 HD13 ILE A 62 81.492 8.882 -6.017 1.00 0.19 H new ATOM 974 N ARG A 63 82.194 14.224 -3.984 1.00 0.14 N ATOM 975 CA ARG A 63 83.209 15.171 -3.432 1.00 0.16 C ATOM 976 C ARG A 63 84.370 14.397 -2.799 1.00 0.18 C ATOM 977 O ARG A 63 85.504 14.842 -2.833 1.00 0.24 O ATOM 978 CB ARG A 63 82.464 15.988 -2.377 1.00 0.21 C ATOM 979 CG ARG A 63 83.389 17.074 -1.825 1.00 1.07 C ATOM 980 CD ARG A 63 83.594 18.161 -2.883 1.00 0.85 C ATOM 981 NE ARG A 63 84.582 19.112 -2.281 1.00 1.51 N ATOM 982 CZ ARG A 63 85.310 19.926 -3.029 1.00 1.91 C ATOM 983 NH1 ARG A 63 85.202 19.952 -4.339 1.00 2.32 N ATOM 984 NH2 ARG A 63 86.159 20.729 -2.448 1.00 2.36 N ATOM 0 H ARG A 63 81.561 13.820 -3.293 1.00 0.14 H new ATOM 0 HA ARG A 63 83.640 15.808 -4.205 1.00 0.16 H new ATOM 0 HB2 ARG A 63 81.574 16.441 -2.814 1.00 0.21 H new ATOM 0 HB3 ARG A 63 82.127 15.338 -1.570 1.00 0.21 H new ATOM 0 HG2 ARG A 63 82.959 17.508 -0.922 1.00 1.07 H new ATOM 0 HG3 ARG A 63 84.349 16.640 -1.544 1.00 1.07 H new ATOM 0 HD2 ARG A 63 83.971 17.738 -3.814 1.00 0.85 H new ATOM 0 HD3 ARG A 63 82.656 18.664 -3.118 1.00 0.85 H new ATOM 0 HE ARG A 63 84.697 19.133 -1.268 1.00 1.51 H new ATOM 0 HH11 ARG A 63 84.542 19.332 -4.809 1.00 2.32 H new ATOM 0 HH12 ARG A 63 85.778 20.592 -4.886 1.00 2.32 H new ATOM 0 HH21 ARG A 63 86.254 20.723 -1.432 1.00 2.36 H new ATOM 0 HH22 ARG A 63 86.728 21.363 -3.009 1.00 2.36 H new ATOM 998 N SER A 64 84.098 13.248 -2.223 1.00 0.17 N ATOM 999 CA SER A 64 85.195 12.451 -1.582 1.00 0.22 C ATOM 1000 C SER A 64 84.776 10.989 -1.413 1.00 0.18 C ATOM 1001 O SER A 64 83.605 10.678 -1.306 1.00 0.25 O ATOM 1002 CB SER A 64 85.422 13.108 -0.222 1.00 0.29 C ATOM 1003 OG SER A 64 86.531 12.492 0.418 1.00 1.22 O ATOM 0 H SER A 64 83.169 12.830 -2.169 1.00 0.17 H new ATOM 0 HA SER A 64 86.101 12.445 -2.188 1.00 0.22 H new ATOM 0 HB2 SER A 64 85.606 14.175 -0.347 1.00 0.29 H new ATOM 0 HB3 SER A 64 84.530 13.009 0.396 1.00 0.29 H new ATOM 0 HG SER A 64 86.680 12.913 1.290 1.00 1.22 H new ATOM 1009 N ILE A 65 85.732 10.090 -1.386 1.00 0.35 N ATOM 1010 CA ILE A 65 85.406 8.634 -1.257 1.00 0.28 C ATOM 1011 C ILE A 65 86.391 7.966 -0.291 1.00 0.23 C ATOM 1012 O ILE A 65 87.544 8.349 -0.202 1.00 0.25 O ATOM 1013 CB ILE A 65 85.545 8.039 -2.664 1.00 0.29 C ATOM 1014 CG1 ILE A 65 84.612 8.773 -3.639 1.00 0.37 C ATOM 1015 CG2 ILE A 65 85.173 6.551 -2.622 1.00 0.26 C ATOM 1016 CD1 ILE A 65 84.837 8.250 -5.061 1.00 0.42 C ATOM 0 H ILE A 65 86.727 10.303 -1.448 1.00 0.35 H new ATOM 0 HA ILE A 65 84.402 8.477 -0.863 1.00 0.28 H new ATOM 0 HB ILE A 65 86.575 8.153 -3.003 1.00 0.29 H new ATOM 0 HG12 ILE A 65 83.573 8.623 -3.346 1.00 0.37 H new ATOM 0 HG13 ILE A 65 84.802 9.846 -3.601 1.00 0.37 H new ATOM 0 HG21 ILE A 65 85.270 6.123 -3.620 1.00 0.26 H new ATOM 0 HG22 ILE A 65 85.840 6.028 -1.937 1.00 0.26 H new ATOM 0 HG23 ILE A 65 84.144 6.443 -2.280 1.00 0.26 H new ATOM 0 HD11 ILE A 65 84.174 8.773 -5.750 1.00 0.42 H new ATOM 0 HD12 ILE A 65 85.873 8.423 -5.353 1.00 0.42 H new ATOM 0 HD13 ILE A 65 84.625 7.181 -5.093 1.00 0.42 H new ATOM 1028 N ASP A 66 85.938 6.968 0.428 1.00 0.20 N ATOM 1029 CA ASP A 66 86.841 6.238 1.370 1.00 0.20 C ATOM 1030 C ASP A 66 86.606 4.725 1.270 1.00 0.20 C ATOM 1031 O ASP A 66 85.484 4.265 1.343 1.00 0.23 O ATOM 1032 CB ASP A 66 86.461 6.756 2.763 1.00 0.24 C ATOM 1033 CG ASP A 66 84.985 6.464 3.058 1.00 0.23 C ATOM 1034 OD1 ASP A 66 84.159 7.303 2.740 1.00 1.05 O ATOM 1035 OD2 ASP A 66 84.708 5.404 3.597 1.00 1.05 O ATOM 0 H ASP A 66 84.977 6.627 0.402 1.00 0.20 H new ATOM 0 HA ASP A 66 87.895 6.406 1.147 1.00 0.20 H new ATOM 0 HB2 ASP A 66 87.090 6.283 3.518 1.00 0.24 H new ATOM 0 HB3 ASP A 66 86.645 7.829 2.822 1.00 0.24 H new ATOM 1040 N LEU A 67 87.656 3.955 1.105 1.00 0.19 N ATOM 1041 CA LEU A 67 87.506 2.464 1.128 1.00 0.20 C ATOM 1042 C LEU A 67 87.350 1.982 2.573 1.00 0.20 C ATOM 1043 O LEU A 67 88.264 2.089 3.371 1.00 0.22 O ATOM 1044 CB LEU A 67 88.806 1.923 0.524 1.00 0.24 C ATOM 1045 CG LEU A 67 88.693 1.879 -1.008 1.00 0.25 C ATOM 1046 CD1 LEU A 67 90.007 2.351 -1.636 1.00 0.43 C ATOM 1047 CD2 LEU A 67 88.412 0.442 -1.464 1.00 0.27 C ATOM 0 H LEU A 67 88.607 4.293 0.956 1.00 0.19 H new ATOM 0 HA LEU A 67 86.630 2.126 0.575 1.00 0.20 H new ATOM 0 HB2 LEU A 67 89.644 2.555 0.817 1.00 0.24 H new ATOM 0 HB3 LEU A 67 89.009 0.924 0.911 1.00 0.24 H new ATOM 0 HG LEU A 67 87.879 2.532 -1.323 1.00 0.25 H new ATOM 0 HD11 LEU A 67 89.923 2.319 -2.722 1.00 0.43 H new ATOM 0 HD12 LEU A 67 90.216 3.373 -1.318 1.00 0.43 H new ATOM 0 HD13 LEU A 67 90.819 1.698 -1.315 1.00 0.43 H new ATOM 0 HD21 LEU A 67 88.332 0.414 -2.551 1.00 0.27 H new ATOM 0 HD22 LEU A 67 89.226 -0.207 -1.143 1.00 0.27 H new ATOM 0 HD23 LEU A 67 87.477 0.097 -1.023 1.00 0.27 H new ATOM 1059 N ILE A 68 86.199 1.454 2.913 1.00 0.21 N ATOM 1060 CA ILE A 68 85.969 0.968 4.311 1.00 0.23 C ATOM 1061 C ILE A 68 86.623 -0.405 4.502 1.00 0.21 C ATOM 1062 O ILE A 68 87.280 -0.656 5.497 1.00 0.28 O ATOM 1063 CB ILE A 68 84.444 0.869 4.461 1.00 0.27 C ATOM 1064 CG1 ILE A 68 83.812 2.246 4.222 1.00 0.30 C ATOM 1065 CG2 ILE A 68 84.092 0.397 5.876 1.00 0.30 C ATOM 1066 CD1 ILE A 68 82.286 2.118 4.211 1.00 0.36 C ATOM 0 H ILE A 68 85.407 1.338 2.281 1.00 0.21 H new ATOM 0 HA ILE A 68 86.402 1.635 5.057 1.00 0.23 H new ATOM 0 HB ILE A 68 84.061 0.156 3.731 1.00 0.27 H new ATOM 0 HG12 ILE A 68 84.123 2.940 5.003 1.00 0.30 H new ATOM 0 HG13 ILE A 68 84.159 2.657 3.274 1.00 0.30 H new ATOM 0 HG21 ILE A 68 83.009 0.328 5.978 1.00 0.30 H new ATOM 0 HG22 ILE A 68 84.536 -0.582 6.054 1.00 0.30 H new ATOM 0 HG23 ILE A 68 84.480 1.109 6.604 1.00 0.30 H new ATOM 0 HD11 ILE A 68 81.840 3.098 4.041 1.00 0.36 H new ATOM 0 HD12 ILE A 68 81.984 1.438 3.414 1.00 0.36 H new ATOM 0 HD13 ILE A 68 81.947 1.726 5.170 1.00 0.36 H new ATOM 1078 N GLU A 69 86.444 -1.288 3.553 1.00 0.17 N ATOM 1079 CA GLU A 69 86.976 -2.676 3.696 1.00 0.18 C ATOM 1080 C GLU A 69 87.619 -3.141 2.376 1.00 0.21 C ATOM 1081 O GLU A 69 86.915 -3.543 1.470 1.00 0.26 O ATOM 1082 CB GLU A 69 85.756 -3.535 4.028 1.00 0.22 C ATOM 1083 CG GLU A 69 85.156 -3.078 5.359 1.00 0.38 C ATOM 1084 CD GLU A 69 84.283 -4.193 5.936 1.00 1.09 C ATOM 1085 OE1 GLU A 69 84.776 -5.302 6.059 1.00 1.79 O ATOM 1086 OE2 GLU A 69 83.135 -3.918 6.246 1.00 1.66 O ATOM 0 H GLU A 69 85.949 -1.105 2.680 1.00 0.17 H new ATOM 0 HA GLU A 69 87.746 -2.745 4.465 1.00 0.18 H new ATOM 0 HB2 GLU A 69 85.013 -3.452 3.235 1.00 0.22 H new ATOM 0 HB3 GLU A 69 86.043 -4.585 4.088 1.00 0.22 H new ATOM 0 HG2 GLU A 69 85.951 -2.825 6.060 1.00 0.38 H new ATOM 0 HG3 GLU A 69 84.562 -2.176 5.211 1.00 0.38 H new