USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 440 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 Single : A 9 THR OG1 : rot 28:sc= 0.186 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0574 K(o=-0.057,f=-1.2!) USER MOD Single : A 19 THR OG1 : rot -123:sc= -0.129 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 23 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.33) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 33 TYR OH : rot 78:sc= -0.357 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.43) USER MOD Single : A 47 GLN : amide:sc= -0.895 K(o=-0.9,f=-3.3!) USER MOD Single : A 50 ASN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.671 K(o=-0.67,f=-1.5) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 104:sc= 3.72 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 9 16.083 1.538 -9.163 1.00 5.54 N ATOM 104 CA THR A 9 17.499 1.828 -8.969 1.00 73.13 C ATOM 105 C THR A 9 17.695 3.160 -8.255 1.00 51.33 C ATOM 106 O THR A 9 16.872 4.068 -8.375 1.00 75.33 O ATOM 107 CB THR A 9 18.254 1.862 -10.312 1.00 34.34 C ATOM 108 OG1 THR A 9 17.944 0.692 -11.077 1.00 50.04 O ATOM 109 CG2 THR A 9 19.756 1.943 -10.086 1.00 12.14 C ATOM 0 HA THR A 9 17.904 1.026 -8.352 1.00 73.13 H new ATOM 0 HB THR A 9 17.937 2.749 -10.860 1.00 34.34 H new ATOM 0 HG1 THR A 9 17.053 0.367 -10.831 1.00 50.04 H new ATOM 0 HG21 THR A 9 20.268 1.966 -11.048 1.00 12.14 H new ATOM 0 HG22 THR A 9 19.992 2.849 -9.528 1.00 12.14 H new ATOM 0 HG23 THR A 9 20.086 1.072 -9.520 1.00 12.14 H new ATOM 117 N VAL A 10 18.791 3.272 -7.512 1.00 2.40 N ATOM 118 CA VAL A 10 19.097 4.496 -6.780 1.00 34.44 C ATOM 119 C VAL A 10 20.370 5.148 -7.307 1.00 15.34 C ATOM 120 O VAL A 10 21.227 4.483 -7.887 1.00 22.42 O ATOM 121 CB VAL A 10 19.259 4.222 -5.273 1.00 22.34 C ATOM 122 CG1 VAL A 10 19.259 5.526 -4.490 1.00 22.23 C ATOM 123 CG2 VAL A 10 18.160 3.294 -4.779 1.00 33.34 C ATOM 0 H VAL A 10 19.482 2.530 -7.401 1.00 2.40 H new ATOM 0 HA VAL A 10 18.257 5.174 -6.930 1.00 34.44 H new ATOM 0 HB VAL A 10 20.218 3.730 -5.112 1.00 22.34 H new ATOM 0 HG11 VAL A 10 19.374 5.312 -3.427 1.00 22.23 H new ATOM 0 HG12 VAL A 10 20.085 6.152 -4.826 1.00 22.23 H new ATOM 0 HG13 VAL A 10 18.317 6.049 -4.655 1.00 22.23 H new ATOM 0 HG21 VAL A 10 18.290 3.111 -3.712 1.00 33.34 H new ATOM 0 HG22 VAL A 10 17.188 3.756 -4.952 1.00 33.34 H new ATOM 0 HG23 VAL A 10 18.213 2.348 -5.318 1.00 33.34 H new ATOM 133 N VAL A 11 20.486 6.456 -7.100 1.00 45.32 N ATOM 134 CA VAL A 11 21.656 7.200 -7.553 1.00 11.21 C ATOM 135 C VAL A 11 22.218 8.074 -6.437 1.00 34.42 C ATOM 136 O VAL A 11 21.468 8.626 -5.631 1.00 44.50 O ATOM 137 CB VAL A 11 21.321 8.089 -8.766 1.00 20.52 C ATOM 138 CG1 VAL A 11 21.095 7.237 -10.006 1.00 25.33 C ATOM 139 CG2 VAL A 11 20.103 8.952 -8.473 1.00 62.12 C ATOM 0 H VAL A 11 19.785 7.022 -6.622 1.00 45.32 H new ATOM 0 HA VAL A 11 22.405 6.464 -7.846 1.00 11.21 H new ATOM 0 HB VAL A 11 22.168 8.748 -8.957 1.00 20.52 H new ATOM 0 HG11 VAL A 11 20.860 7.882 -10.853 1.00 25.33 H new ATOM 0 HG12 VAL A 11 21.997 6.666 -10.225 1.00 25.33 H new ATOM 0 HG13 VAL A 11 20.266 6.552 -9.830 1.00 25.33 H new ATOM 0 HG21 VAL A 11 19.880 9.574 -9.340 1.00 62.12 H new ATOM 0 HG22 VAL A 11 19.248 8.312 -8.256 1.00 62.12 H new ATOM 0 HG23 VAL A 11 20.307 9.589 -7.613 1.00 62.12 H new ATOM 149 N ILE A 12 23.540 8.194 -6.396 1.00 22.31 N ATOM 150 CA ILE A 12 24.202 9.002 -5.379 1.00 63.52 C ATOM 151 C ILE A 12 24.675 10.332 -5.956 1.00 65.50 C ATOM 152 O ILE A 12 25.268 10.377 -7.034 1.00 33.32 O ATOM 153 CB ILE A 12 25.407 8.262 -4.769 1.00 65.30 C ATOM 154 CG1 ILE A 12 25.073 6.784 -4.558 1.00 71.44 C ATOM 155 CG2 ILE A 12 25.817 8.910 -3.455 1.00 41.12 C ATOM 156 CD1 ILE A 12 26.197 5.994 -3.926 1.00 22.22 C ATOM 0 H ILE A 12 24.174 7.742 -7.055 1.00 22.31 H new ATOM 0 HA ILE A 12 23.467 9.189 -4.596 1.00 63.52 H new ATOM 0 HB ILE A 12 26.245 8.330 -5.463 1.00 65.30 H new ATOM 0 HG12 ILE A 12 24.187 6.707 -3.928 1.00 71.44 H new ATOM 0 HG13 ILE A 12 24.821 6.336 -5.519 1.00 71.44 H new ATOM 0 HG21 ILE A 12 26.670 8.376 -3.036 1.00 41.12 H new ATOM 0 HG22 ILE A 12 26.092 9.950 -3.632 1.00 41.12 H new ATOM 0 HG23 ILE A 12 24.984 8.869 -2.754 1.00 41.12 H new ATOM 0 HD11 ILE A 12 25.889 4.955 -3.807 1.00 22.22 H new ATOM 0 HD12 ILE A 12 27.079 6.040 -4.565 1.00 22.22 H new ATOM 0 HD13 ILE A 12 26.434 6.416 -2.950 1.00 22.22 H new ATOM 168 N ALA A 13 24.411 11.413 -5.230 1.00 23.33 N ATOM 169 CA ALA A 13 24.813 12.744 -5.667 1.00 24.31 C ATOM 170 C ALA A 13 26.296 12.984 -5.402 1.00 53.12 C ATOM 171 O ALA A 13 26.769 12.828 -4.276 1.00 22.42 O ATOM 172 CB ALA A 13 23.972 13.804 -4.972 1.00 3.13 C ATOM 0 H ALA A 13 23.920 11.393 -4.336 1.00 23.33 H new ATOM 0 HA ALA A 13 24.647 12.812 -6.742 1.00 24.31 H new ATOM 0 HB1 ALA A 13 24.283 14.793 -5.308 1.00 3.13 H new ATOM 0 HB2 ALA A 13 22.921 13.652 -5.216 1.00 3.13 H new ATOM 0 HB3 ALA A 13 24.109 13.727 -3.893 1.00 3.13 H new ATOM 178 N LEU A 14 27.024 13.364 -6.446 1.00 2.31 N ATOM 179 CA LEU A 14 28.454 13.626 -6.326 1.00 64.22 C ATOM 180 C LEU A 14 28.713 15.087 -5.972 1.00 60.31 C ATOM 181 O LEU A 14 29.740 15.420 -5.381 1.00 2.31 O ATOM 182 CB LEU A 14 29.169 13.271 -7.632 1.00 13.53 C ATOM 183 CG LEU A 14 28.658 12.027 -8.360 1.00 3.43 C ATOM 184 CD1 LEU A 14 29.432 11.809 -9.651 1.00 3.25 C ATOM 185 CD2 LEU A 14 28.761 10.804 -7.461 1.00 32.21 C ATOM 0 H LEU A 14 26.648 13.498 -7.385 1.00 2.31 H new ATOM 0 HA LEU A 14 28.846 13.002 -5.523 1.00 64.22 H new ATOM 0 HB2 LEU A 14 29.090 14.122 -8.309 1.00 13.53 H new ATOM 0 HB3 LEU A 14 30.228 13.132 -7.417 1.00 13.53 H new ATOM 0 HG LEU A 14 27.609 12.181 -8.611 1.00 3.43 H new ATOM 0 HD11 LEU A 14 29.055 10.919 -10.156 1.00 3.25 H new ATOM 0 HD12 LEU A 14 29.307 12.675 -10.301 1.00 3.25 H new ATOM 0 HD13 LEU A 14 30.490 11.676 -9.423 1.00 3.25 H new ATOM 0 HD21 LEU A 14 28.393 9.928 -7.995 1.00 32.21 H new ATOM 0 HD22 LEU A 14 29.802 10.646 -7.179 1.00 32.21 H new ATOM 0 HD23 LEU A 14 28.162 10.960 -6.564 1.00 32.21 H new ATOM 197 N TYR A 15 27.774 15.953 -6.336 1.00 1.24 N ATOM 198 CA TYR A 15 27.900 17.379 -6.056 1.00 63.35 C ATOM 199 C TYR A 15 26.529 18.022 -5.876 1.00 32.15 C ATOM 200 O TYR A 15 25.530 17.543 -6.413 1.00 42.14 O ATOM 201 CB TYR A 15 28.658 18.076 -7.188 1.00 13.13 C ATOM 202 CG TYR A 15 30.029 17.495 -7.446 1.00 64.14 C ATOM 203 CD1 TYR A 15 30.201 16.436 -8.330 1.00 2.30 C ATOM 204 CD2 TYR A 15 31.153 18.003 -6.807 1.00 1.21 C ATOM 205 CE1 TYR A 15 31.452 15.901 -8.569 1.00 44.41 C ATOM 206 CE2 TYR A 15 32.408 17.476 -7.041 1.00 21.30 C ATOM 207 CZ TYR A 15 32.553 16.425 -7.923 1.00 34.24 C ATOM 208 OH TYR A 15 33.801 15.896 -8.157 1.00 70.54 O ATOM 0 H TYR A 15 26.918 15.693 -6.825 1.00 1.24 H new ATOM 0 HA TYR A 15 28.459 17.494 -5.127 1.00 63.35 H new ATOM 0 HB2 TYR A 15 28.068 18.012 -8.102 1.00 13.13 H new ATOM 0 HB3 TYR A 15 28.760 19.134 -6.948 1.00 13.13 H new ATOM 0 HD1 TYR A 15 29.342 16.024 -8.839 1.00 2.30 H new ATOM 0 HD2 TYR A 15 31.044 18.825 -6.115 1.00 1.21 H new ATOM 0 HE1 TYR A 15 31.568 15.077 -9.258 1.00 44.41 H new ATOM 0 HE2 TYR A 15 33.271 17.884 -6.536 1.00 21.30 H new ATOM 0 HH TYR A 15 34.466 16.380 -7.624 1.00 70.54 H new ATOM 218 N ASP A 16 26.489 19.110 -5.115 1.00 11.22 N ATOM 219 CA ASP A 16 25.241 19.822 -4.863 1.00 62.10 C ATOM 220 C ASP A 16 24.761 20.539 -6.121 1.00 61.31 C ATOM 221 O ASP A 16 25.007 21.732 -6.300 1.00 70.20 O ATOM 222 CB ASP A 16 25.424 20.828 -3.726 1.00 12.22 C ATOM 223 CG ASP A 16 26.638 21.714 -3.926 1.00 13.01 C ATOM 224 OD1 ASP A 16 27.771 21.206 -3.794 1.00 74.11 O ATOM 225 OD2 ASP A 16 26.455 22.916 -4.213 1.00 71.35 O ATOM 0 H ASP A 16 27.306 19.518 -4.662 1.00 11.22 H new ATOM 0 HA ASP A 16 24.486 19.091 -4.573 1.00 62.10 H new ATOM 0 HB2 ASP A 16 24.533 21.450 -3.649 1.00 12.22 H new ATOM 0 HB3 ASP A 16 25.521 20.291 -2.782 1.00 12.22 H new ATOM 230 N TYR A 17 24.077 19.803 -6.990 1.00 14.21 N ATOM 231 CA TYR A 17 23.565 20.368 -8.233 1.00 60.42 C ATOM 232 C TYR A 17 22.473 21.396 -7.956 1.00 0.32 C ATOM 233 O TYR A 17 21.726 21.277 -6.985 1.00 3.41 O ATOM 234 CB TYR A 17 23.020 19.259 -9.135 1.00 34.22 C ATOM 235 CG TYR A 17 22.283 19.774 -10.351 1.00 2.35 C ATOM 236 CD1 TYR A 17 22.957 20.454 -11.358 1.00 54.12 C ATOM 237 CD2 TYR A 17 20.914 19.583 -10.491 1.00 64.33 C ATOM 238 CE1 TYR A 17 22.288 20.928 -12.471 1.00 31.54 C ATOM 239 CE2 TYR A 17 20.238 20.051 -11.601 1.00 11.32 C ATOM 240 CZ TYR A 17 20.929 20.723 -12.588 1.00 11.25 C ATOM 241 OH TYR A 17 20.258 21.193 -13.694 1.00 23.14 O ATOM 0 H TYR A 17 23.864 18.814 -6.857 1.00 14.21 H new ATOM 0 HA TYR A 17 24.389 20.869 -8.741 1.00 60.42 H new ATOM 0 HB2 TYR A 17 23.847 18.629 -9.462 1.00 34.22 H new ATOM 0 HB3 TYR A 17 22.348 18.627 -8.554 1.00 34.22 H new ATOM 0 HD1 TYR A 17 24.021 20.615 -11.270 1.00 54.12 H new ATOM 0 HD2 TYR A 17 20.369 19.060 -9.719 1.00 64.33 H new ATOM 0 HE1 TYR A 17 22.826 21.456 -13.244 1.00 31.54 H new ATOM 0 HE2 TYR A 17 19.174 19.892 -11.696 1.00 11.32 H new ATOM 0 HH TYR A 17 19.308 20.964 -13.622 1.00 23.14 H new ATOM 251 N GLN A 18 22.387 22.405 -8.817 1.00 1.11 N ATOM 252 CA GLN A 18 21.387 23.455 -8.665 1.00 52.12 C ATOM 253 C GLN A 18 20.769 23.817 -10.012 1.00 2.21 C ATOM 254 O GLN A 18 21.474 24.190 -10.950 1.00 52.45 O ATOM 255 CB GLN A 18 22.013 24.697 -8.027 1.00 74.44 C ATOM 256 CG GLN A 18 22.063 24.641 -6.509 1.00 62.21 C ATOM 257 CD GLN A 18 22.326 25.997 -5.884 1.00 32.53 C ATOM 258 OE1 GLN A 18 21.926 27.029 -6.422 1.00 10.30 O ATOM 259 NE2 GLN A 18 23.001 26.001 -4.740 1.00 61.53 N ATOM 0 H GLN A 18 22.997 22.517 -9.626 1.00 1.11 H new ATOM 0 HA GLN A 18 20.598 23.079 -8.013 1.00 52.12 H new ATOM 0 HB2 GLN A 18 23.025 24.822 -8.411 1.00 74.44 H new ATOM 0 HB3 GLN A 18 21.446 25.577 -8.331 1.00 74.44 H new ATOM 0 HG2 GLN A 18 21.118 24.248 -6.132 1.00 62.21 H new ATOM 0 HG3 GLN A 18 22.843 23.945 -6.200 1.00 62.21 H new ATOM 0 HE21 GLN A 18 23.314 25.121 -4.329 1.00 61.53 H new ATOM 0 HE22 GLN A 18 23.207 26.884 -4.272 1.00 61.53 H new ATOM 268 N THR A 19 19.447 23.704 -10.101 1.00 5.31 N ATOM 269 CA THR A 19 18.735 24.018 -11.333 1.00 11.12 C ATOM 270 C THR A 19 18.367 25.496 -11.394 1.00 12.11 C ATOM 271 O THR A 19 18.364 26.187 -10.376 1.00 54.01 O ATOM 272 CB THR A 19 17.453 23.175 -11.470 1.00 51.35 C ATOM 273 OG1 THR A 19 16.726 23.576 -12.637 1.00 41.04 O ATOM 274 CG2 THR A 19 16.571 23.327 -10.240 1.00 53.35 C ATOM 0 H THR A 19 18.848 23.397 -9.334 1.00 5.31 H new ATOM 0 HA THR A 19 19.408 23.780 -12.157 1.00 11.12 H new ATOM 0 HB THR A 19 17.741 22.128 -11.563 1.00 51.35 H new ATOM 0 HG1 THR A 19 15.820 23.847 -12.381 1.00 41.04 H new ATOM 0 HG21 THR A 19 15.672 22.723 -10.360 1.00 53.35 H new ATOM 0 HG22 THR A 19 17.117 22.994 -9.357 1.00 53.35 H new ATOM 0 HG23 THR A 19 16.291 24.374 -10.120 1.00 53.35 H new ATOM 282 N ASN A 20 18.056 25.975 -12.594 1.00 64.33 N ATOM 283 CA ASN A 20 17.686 27.372 -12.788 1.00 2.13 C ATOM 284 C ASN A 20 16.170 27.541 -12.766 1.00 41.21 C ATOM 285 O ASN A 20 15.659 28.615 -12.446 1.00 25.20 O ATOM 286 CB ASN A 20 18.250 27.892 -14.112 1.00 11.14 C ATOM 287 CG ASN A 20 18.406 29.401 -14.121 1.00 35.40 C ATOM 288 OD1 ASN A 20 19.017 29.978 -13.222 1.00 14.32 O ATOM 289 ND2 ASN A 20 17.851 30.046 -15.141 1.00 4.14 N ATOM 0 H ASN A 20 18.053 25.416 -13.447 1.00 64.33 H new ATOM 0 HA ASN A 20 18.110 27.952 -11.968 1.00 2.13 H new ATOM 0 HB2 ASN A 20 19.219 27.428 -14.298 1.00 11.14 H new ATOM 0 HB3 ASN A 20 17.591 27.593 -14.927 1.00 11.14 H new ATOM 0 HD21 ASN A 20 17.922 31.062 -15.202 1.00 4.14 H new ATOM 0 HD22 ASN A 20 17.354 29.526 -15.864 1.00 4.14 H new ATOM 296 N ASP A 21 15.457 26.474 -13.108 1.00 55.33 N ATOM 297 CA ASP A 21 13.999 26.503 -13.127 1.00 14.32 C ATOM 298 C ASP A 21 13.422 25.433 -12.205 1.00 61.03 C ATOM 299 O ASP A 21 14.091 24.464 -11.844 1.00 54.22 O ATOM 300 CB ASP A 21 13.481 26.300 -14.552 1.00 22.24 C ATOM 301 CG ASP A 21 13.343 27.606 -15.309 1.00 73.43 C ATOM 302 OD1 ASP A 21 14.327 28.373 -15.353 1.00 72.22 O ATOM 303 OD2 ASP A 21 12.250 27.861 -15.858 1.00 31.23 O ATOM 0 H ASP A 21 15.865 25.578 -13.376 1.00 55.33 H new ATOM 0 HA ASP A 21 13.675 27.480 -12.768 1.00 14.32 H new ATOM 0 HB2 ASP A 21 14.160 25.640 -15.092 1.00 22.24 H new ATOM 0 HB3 ASP A 21 12.513 25.800 -14.516 1.00 22.24 H new ATOM 308 N PRO A 22 12.151 25.611 -11.814 1.00 25.51 N ATOM 309 CA PRO A 22 11.457 24.670 -10.929 1.00 1.50 C ATOM 310 C PRO A 22 11.164 23.340 -11.613 1.00 35.42 C ATOM 311 O PRO A 22 10.868 22.345 -10.952 1.00 34.41 O ATOM 312 CB PRO A 22 10.153 25.398 -10.592 1.00 70.22 C ATOM 313 CG PRO A 22 9.928 26.323 -11.738 1.00 44.00 C ATOM 314 CD PRO A 22 11.295 26.742 -12.206 1.00 13.34 C ATOM 0 HA PRO A 22 12.056 24.413 -10.055 1.00 1.50 H new ATOM 0 HB2 PRO A 22 9.326 24.697 -10.481 1.00 70.22 H new ATOM 0 HB3 PRO A 22 10.236 25.945 -9.653 1.00 70.22 H new ATOM 0 HG2 PRO A 22 9.377 25.827 -12.537 1.00 44.00 H new ATOM 0 HG3 PRO A 22 9.338 27.187 -11.432 1.00 44.00 H new ATOM 0 HD2 PRO A 22 11.317 26.909 -13.283 1.00 13.34 H new ATOM 0 HD3 PRO A 22 11.615 27.671 -11.733 1.00 13.34 H new ATOM 322 N GLN A 23 11.248 23.330 -12.939 1.00 61.32 N ATOM 323 CA GLN A 23 10.991 22.120 -13.712 1.00 31.15 C ATOM 324 C GLN A 23 11.938 20.998 -13.298 1.00 0.41 C ATOM 325 O GLN A 23 11.526 19.848 -13.153 1.00 62.02 O ATOM 326 CB GLN A 23 11.139 22.403 -15.207 1.00 44.34 C ATOM 327 CG GLN A 23 10.301 21.489 -16.086 1.00 20.00 C ATOM 328 CD GLN A 23 8.828 21.527 -15.730 1.00 10.12 C ATOM 329 OE1 GLN A 23 8.243 22.599 -15.574 1.00 54.22 O ATOM 330 NE2 GLN A 23 8.220 20.354 -15.599 1.00 32.03 N ATOM 0 H GLN A 23 11.492 24.146 -13.501 1.00 61.32 H new ATOM 0 HA GLN A 23 9.969 21.801 -13.510 1.00 31.15 H new ATOM 0 HB2 GLN A 23 10.858 23.438 -15.402 1.00 44.34 H new ATOM 0 HB3 GLN A 23 12.188 22.300 -15.486 1.00 44.34 H new ATOM 0 HG2 GLN A 23 10.426 21.779 -17.129 1.00 20.00 H new ATOM 0 HG3 GLN A 23 10.667 20.466 -15.993 1.00 20.00 H new ATOM 0 HE21 GLN A 23 8.744 19.490 -15.737 1.00 32.03 H new ATOM 0 HE22 GLN A 23 7.229 20.317 -15.360 1.00 32.03 H new ATOM 339 N GLU A 24 13.208 21.342 -13.110 1.00 3.32 N ATOM 340 CA GLU A 24 14.214 20.363 -12.714 1.00 54.00 C ATOM 341 C GLU A 24 14.444 20.399 -11.206 1.00 2.10 C ATOM 342 O GLU A 24 14.030 21.338 -10.525 1.00 55.32 O ATOM 343 CB GLU A 24 15.530 20.625 -13.449 1.00 10.03 C ATOM 344 CG GLU A 24 15.345 21.056 -14.894 1.00 21.00 C ATOM 345 CD GLU A 24 14.511 20.074 -15.693 1.00 61.25 C ATOM 346 OE1 GLU A 24 13.267 20.145 -15.607 1.00 61.03 O ATOM 347 OE2 GLU A 24 15.102 19.234 -16.405 1.00 14.34 O ATOM 0 H GLU A 24 13.565 22.291 -13.225 1.00 3.32 H new ATOM 0 HA GLU A 24 13.847 19.373 -12.984 1.00 54.00 H new ATOM 0 HB2 GLU A 24 16.086 21.397 -12.917 1.00 10.03 H new ATOM 0 HB3 GLU A 24 16.137 19.720 -13.424 1.00 10.03 H new ATOM 0 HG2 GLU A 24 14.869 22.036 -14.919 1.00 21.00 H new ATOM 0 HG3 GLU A 24 16.322 21.165 -15.365 1.00 21.00 H new ATOM 354 N LEU A 25 15.108 19.370 -10.690 1.00 55.23 N ATOM 355 CA LEU A 25 15.394 19.283 -9.262 1.00 73.55 C ATOM 356 C LEU A 25 16.873 19.532 -8.987 1.00 61.33 C ATOM 357 O LEU A 25 17.676 19.646 -9.913 1.00 0.22 O ATOM 358 CB LEU A 25 14.987 17.910 -8.724 1.00 62.42 C ATOM 359 CG LEU A 25 13.879 17.903 -7.670 1.00 64.12 C ATOM 360 CD1 LEU A 25 12.655 18.648 -8.178 1.00 51.12 C ATOM 361 CD2 LEU A 25 13.516 16.476 -7.287 1.00 65.40 C ATOM 0 H LEU A 25 15.458 18.585 -11.239 1.00 55.23 H new ATOM 0 HA LEU A 25 14.815 20.053 -8.752 1.00 73.55 H new ATOM 0 HB2 LEU A 25 14.666 17.294 -9.564 1.00 62.42 H new ATOM 0 HB3 LEU A 25 15.869 17.433 -8.298 1.00 62.42 H new ATOM 0 HG LEU A 25 14.247 18.414 -6.780 1.00 64.12 H new ATOM 0 HD11 LEU A 25 11.877 18.633 -7.415 1.00 51.12 H new ATOM 0 HD12 LEU A 25 12.924 19.680 -8.401 1.00 51.12 H new ATOM 0 HD13 LEU A 25 12.285 18.166 -9.083 1.00 51.12 H new ATOM 0 HD21 LEU A 25 12.726 16.491 -6.536 1.00 65.40 H new ATOM 0 HD22 LEU A 25 13.168 15.940 -8.170 1.00 65.40 H new ATOM 0 HD23 LEU A 25 14.394 15.974 -6.880 1.00 65.40 H new ATOM 373 N ALA A 26 17.226 19.612 -7.709 1.00 5.43 N ATOM 374 CA ALA A 26 18.610 19.843 -7.312 1.00 12.45 C ATOM 375 C ALA A 26 19.159 18.661 -6.521 1.00 33.24 C ATOM 376 O ALA A 26 18.415 17.964 -5.829 1.00 14.20 O ATOM 377 CB ALA A 26 18.718 21.123 -6.495 1.00 31.30 C ATOM 0 H ALA A 26 16.573 19.520 -6.931 1.00 5.43 H new ATOM 0 HA ALA A 26 19.208 19.950 -8.217 1.00 12.45 H new ATOM 0 HB1 ALA A 26 19.757 21.283 -6.205 1.00 31.30 H new ATOM 0 HB2 ALA A 26 18.374 21.967 -7.093 1.00 31.30 H new ATOM 0 HB3 ALA A 26 18.101 21.037 -5.601 1.00 31.30 H new ATOM 383 N LEU A 27 20.464 18.439 -6.627 1.00 70.43 N ATOM 384 CA LEU A 27 21.113 17.339 -5.922 1.00 20.20 C ATOM 385 C LEU A 27 21.885 17.850 -4.710 1.00 25.40 C ATOM 386 O LEU A 27 22.201 19.036 -4.618 1.00 21.05 O ATOM 387 CB LEU A 27 22.057 16.589 -6.864 1.00 0.31 C ATOM 388 CG LEU A 27 21.416 15.978 -8.110 1.00 72.01 C ATOM 389 CD1 LEU A 27 22.483 15.574 -9.116 1.00 54.50 C ATOM 390 CD2 LEU A 27 20.555 14.781 -7.734 1.00 54.02 C ATOM 0 H LEU A 27 21.094 19.006 -7.194 1.00 70.43 H new ATOM 0 HA LEU A 27 20.339 16.655 -5.575 1.00 20.20 H new ATOM 0 HB2 LEU A 27 22.841 17.276 -7.183 1.00 0.31 H new ATOM 0 HB3 LEU A 27 22.542 15.791 -6.301 1.00 0.31 H new ATOM 0 HG LEU A 27 20.776 16.730 -8.572 1.00 72.01 H new ATOM 0 HD11 LEU A 27 22.008 15.141 -9.996 1.00 54.50 H new ATOM 0 HD12 LEU A 27 23.058 16.452 -9.409 1.00 54.50 H new ATOM 0 HD13 LEU A 27 23.149 14.839 -8.665 1.00 54.50 H new ATOM 0 HD21 LEU A 27 20.107 14.359 -8.633 1.00 54.02 H new ATOM 0 HD22 LEU A 27 21.173 14.026 -7.248 1.00 54.02 H new ATOM 0 HD23 LEU A 27 19.767 15.099 -7.051 1.00 54.02 H new ATOM 402 N ARG A 28 22.189 16.946 -3.784 1.00 35.30 N ATOM 403 CA ARG A 28 22.925 17.305 -2.578 1.00 61.31 C ATOM 404 C ARG A 28 24.088 16.344 -2.345 1.00 52.41 C ATOM 405 O ARG A 28 23.919 15.126 -2.396 1.00 21.01 O ATOM 406 CB ARG A 28 21.993 17.298 -1.365 1.00 4.32 C ATOM 407 CG ARG A 28 22.547 18.054 -0.168 1.00 12.31 C ATOM 408 CD ARG A 28 22.354 19.555 -0.320 1.00 4.14 C ATOM 409 NE ARG A 28 20.999 19.971 0.031 1.00 3.53 N ATOM 410 CZ ARG A 28 20.579 20.127 1.282 1.00 72.42 C ATOM 411 NH1 ARG A 28 21.404 19.901 2.295 1.00 52.41 N ATOM 412 NH2 ARG A 28 19.331 20.508 1.521 1.00 54.33 N ATOM 0 H ARG A 28 21.937 15.960 -3.846 1.00 35.30 H new ATOM 0 HA ARG A 28 23.327 18.309 -2.713 1.00 61.31 H new ATOM 0 HB2 ARG A 28 21.036 17.736 -1.650 1.00 4.32 H new ATOM 0 HB3 ARG A 28 21.797 16.266 -1.074 1.00 4.32 H new ATOM 0 HG2 ARG A 28 22.051 17.712 0.741 1.00 12.31 H new ATOM 0 HG3 ARG A 28 23.608 17.832 -0.055 1.00 12.31 H new ATOM 0 HD2 ARG A 28 23.070 20.078 0.314 1.00 4.14 H new ATOM 0 HD3 ARG A 28 22.567 19.846 -1.349 1.00 4.14 H new ATOM 0 HE ARG A 28 20.339 20.152 -0.725 1.00 3.53 H new ATOM 0 HH11 ARG A 28 22.364 19.607 2.115 1.00 52.41 H new ATOM 0 HH12 ARG A 28 21.079 20.022 3.254 1.00 52.41 H new ATOM 0 HH21 ARG A 28 18.693 20.681 0.744 1.00 54.33 H new ATOM 0 HH22 ARG A 28 19.009 20.628 2.482 1.00 54.33 H new ATOM 426 N ARG A 29 25.267 16.902 -2.090 1.00 60.13 N ATOM 427 CA ARG A 29 26.458 16.095 -1.851 1.00 52.34 C ATOM 428 C ARG A 29 26.192 15.036 -0.785 1.00 42.35 C ATOM 429 O ARG A 29 25.654 15.335 0.280 1.00 44.12 O ATOM 430 CB ARG A 29 27.625 16.986 -1.421 1.00 70.33 C ATOM 431 CG ARG A 29 28.989 16.401 -1.747 1.00 65.04 C ATOM 432 CD ARG A 29 30.111 17.243 -1.160 1.00 23.12 C ATOM 433 NE ARG A 29 29.977 17.402 0.286 1.00 55.23 N ATOM 434 CZ ARG A 29 30.839 18.081 1.034 1.00 62.12 C ATOM 435 NH1 ARG A 29 31.893 18.661 0.476 1.00 70.42 N ATOM 436 NH2 ARG A 29 30.648 18.181 2.343 1.00 2.31 N ATOM 0 H ARG A 29 25.423 17.909 -2.044 1.00 60.13 H new ATOM 0 HA ARG A 29 26.718 15.591 -2.782 1.00 52.34 H new ATOM 0 HB2 ARG A 29 27.529 17.956 -1.908 1.00 70.33 H new ATOM 0 HB3 ARG A 29 27.561 17.161 -0.347 1.00 70.33 H new ATOM 0 HG2 ARG A 29 29.053 15.385 -1.357 1.00 65.04 H new ATOM 0 HG3 ARG A 29 29.109 16.336 -2.828 1.00 65.04 H new ATOM 0 HD2 ARG A 29 31.070 16.777 -1.386 1.00 23.12 H new ATOM 0 HD3 ARG A 29 30.114 18.225 -1.634 1.00 23.12 H new ATOM 0 HE ARG A 29 29.177 16.968 0.746 1.00 55.23 H new ATOM 0 HH11 ARG A 29 32.043 18.586 -0.530 1.00 70.42 H new ATOM 0 HH12 ARG A 29 32.553 19.182 1.053 1.00 70.42 H new ATOM 0 HH21 ARG A 29 29.839 17.736 2.776 1.00 2.31 H new ATOM 0 HH22 ARG A 29 31.311 18.703 2.917 1.00 2.31 H new ATOM 450 N ASN A 30 26.573 13.798 -1.081 1.00 71.34 N ATOM 451 CA ASN A 30 26.375 12.694 -0.149 1.00 71.10 C ATOM 452 C ASN A 30 24.889 12.454 0.102 1.00 23.12 C ATOM 453 O ASN A 30 24.439 12.437 1.247 1.00 13.31 O ATOM 454 CB ASN A 30 27.087 12.982 1.174 1.00 43.41 C ATOM 455 CG ASN A 30 27.493 11.715 1.900 1.00 22.44 C ATOM 456 OD1 ASN A 30 26.723 10.758 1.980 1.00 71.44 O ATOM 457 ND2 ASN A 30 28.709 11.703 2.435 1.00 35.24 N ATOM 0 H ASN A 30 27.021 13.534 -1.959 1.00 71.34 H new ATOM 0 HA ASN A 30 26.800 11.795 -0.594 1.00 71.10 H new ATOM 0 HB2 ASN A 30 27.973 13.587 0.982 1.00 43.41 H new ATOM 0 HB3 ASN A 30 26.431 13.571 1.816 1.00 43.41 H new ATOM 0 HD21 ASN A 30 29.037 10.878 2.936 1.00 35.24 H new ATOM 0 HD22 ASN A 30 29.314 12.519 2.344 1.00 35.24 H new ATOM 464 N GLU A 31 24.135 12.268 -0.976 1.00 54.03 N ATOM 465 CA GLU A 31 22.700 12.029 -0.872 1.00 51.10 C ATOM 466 C GLU A 31 22.234 11.039 -1.936 1.00 44.30 C ATOM 467 O GLU A 31 22.761 11.015 -3.048 1.00 22.23 O ATOM 468 CB GLU A 31 21.930 13.344 -1.011 1.00 40.13 C ATOM 469 CG GLU A 31 20.569 13.327 -0.335 1.00 44.32 C ATOM 470 CD GLU A 31 20.166 14.689 0.197 1.00 74.40 C ATOM 471 OE1 GLU A 31 20.880 15.217 1.075 1.00 52.55 O ATOM 472 OE2 GLU A 31 19.136 15.225 -0.263 1.00 61.32 O ATOM 0 H GLU A 31 24.493 12.278 -1.931 1.00 54.03 H new ATOM 0 HA GLU A 31 22.500 11.601 0.110 1.00 51.10 H new ATOM 0 HB2 GLU A 31 22.527 14.151 -0.587 1.00 40.13 H new ATOM 0 HB3 GLU A 31 21.798 13.568 -2.070 1.00 40.13 H new ATOM 0 HG2 GLU A 31 19.818 12.982 -1.046 1.00 44.32 H new ATOM 0 HG3 GLU A 31 20.584 12.610 0.486 1.00 44.32 H new ATOM 479 N GLU A 32 21.244 10.225 -1.585 1.00 61.34 N ATOM 480 CA GLU A 32 20.709 9.232 -2.510 1.00 12.03 C ATOM 481 C GLU A 32 19.399 9.714 -3.127 1.00 32.45 C ATOM 482 O GLU A 32 18.668 10.500 -2.523 1.00 61.04 O ATOM 483 CB GLU A 32 20.487 7.900 -1.790 1.00 61.12 C ATOM 484 CG GLU A 32 21.679 6.960 -1.868 1.00 54.33 C ATOM 485 CD GLU A 32 22.614 7.104 -0.683 1.00 52.24 C ATOM 486 OE1 GLU A 32 22.446 8.071 0.090 1.00 65.24 O ATOM 487 OE2 GLU A 32 23.513 6.251 -0.529 1.00 55.21 O ATOM 0 H GLU A 32 20.796 10.233 -0.668 1.00 61.34 H new ATOM 0 HA GLU A 32 21.436 9.088 -3.309 1.00 12.03 H new ATOM 0 HB2 GLU A 32 20.258 8.096 -0.743 1.00 61.12 H new ATOM 0 HB3 GLU A 32 19.616 7.405 -2.220 1.00 61.12 H new ATOM 0 HG2 GLU A 32 21.323 5.931 -1.922 1.00 54.33 H new ATOM 0 HG3 GLU A 32 22.231 7.155 -2.787 1.00 54.33 H new ATOM 494 N TYR A 33 19.109 9.237 -4.332 1.00 30.31 N ATOM 495 CA TYR A 33 17.889 9.620 -5.033 1.00 2.14 C ATOM 496 C TYR A 33 17.281 8.426 -5.761 1.00 70.42 C ATOM 497 O TYR A 33 17.971 7.711 -6.489 1.00 42.12 O ATOM 498 CB TYR A 33 18.180 10.745 -6.028 1.00 31.31 C ATOM 499 CG TYR A 33 18.553 12.054 -5.370 1.00 53.12 C ATOM 500 CD1 TYR A 33 17.574 12.928 -4.913 1.00 73.12 C ATOM 501 CD2 TYR A 33 19.884 12.418 -5.207 1.00 15.04 C ATOM 502 CE1 TYR A 33 17.909 14.126 -4.312 1.00 65.33 C ATOM 503 CE2 TYR A 33 20.229 13.613 -4.605 1.00 75.15 C ATOM 504 CZ TYR A 33 19.238 14.463 -4.160 1.00 41.42 C ATOM 505 OH TYR A 33 19.578 15.655 -3.562 1.00 53.32 O ATOM 0 H TYR A 33 19.702 8.584 -4.844 1.00 30.31 H new ATOM 0 HA TYR A 33 17.171 9.975 -4.293 1.00 2.14 H new ATOM 0 HB2 TYR A 33 18.991 10.435 -6.687 1.00 31.31 H new ATOM 0 HB3 TYR A 33 17.302 10.900 -6.655 1.00 31.31 H new ATOM 0 HD1 TYR A 33 16.533 12.666 -5.030 1.00 73.12 H new ATOM 0 HD2 TYR A 33 20.662 11.756 -5.557 1.00 15.04 H new ATOM 0 HE1 TYR A 33 17.135 14.794 -3.963 1.00 65.33 H new ATOM 0 HE2 TYR A 33 21.268 13.880 -4.484 1.00 75.15 H new ATOM 0 HH TYR A 33 19.479 15.574 -2.590 1.00 53.32 H new ATOM 515 N CYS A 34 15.985 8.216 -5.560 1.00 72.00 N ATOM 516 CA CYS A 34 15.282 7.108 -6.197 1.00 54.10 C ATOM 517 C CYS A 34 15.128 7.351 -7.695 1.00 15.32 C ATOM 518 O CYS A 34 14.309 8.167 -8.121 1.00 74.44 O ATOM 519 CB CYS A 34 13.907 6.913 -5.556 1.00 10.24 C ATOM 520 SG CYS A 34 13.966 6.303 -3.854 1.00 50.45 S ATOM 0 H CYS A 34 15.400 8.798 -4.961 1.00 72.00 H new ATOM 0 HA CYS A 34 15.874 6.204 -6.053 1.00 54.10 H new ATOM 0 HB2 CYS A 34 13.372 7.863 -5.572 1.00 10.24 H new ATOM 0 HB3 CYS A 34 13.331 6.213 -6.162 1.00 10.24 H new ATOM 0 HG CYS A 34 12.756 6.172 -3.398 1.00 50.45 H new ATOM 526 N LEU A 35 15.921 6.640 -8.489 1.00 14.42 N ATOM 527 CA LEU A 35 15.874 6.780 -9.940 1.00 71.22 C ATOM 528 C LEU A 35 14.511 6.362 -10.484 1.00 2.52 C ATOM 529 O LEU A 35 13.977 5.317 -10.113 1.00 35.42 O ATOM 530 CB LEU A 35 16.974 5.938 -10.589 1.00 20.33 C ATOM 531 CG LEU A 35 17.536 6.469 -11.908 1.00 20.31 C ATOM 532 CD1 LEU A 35 16.453 6.502 -12.975 1.00 33.13 C ATOM 533 CD2 LEU A 35 18.138 7.853 -11.713 1.00 34.32 C ATOM 0 H LEU A 35 16.604 5.961 -8.153 1.00 14.42 H new ATOM 0 HA LEU A 35 16.036 7.830 -10.184 1.00 71.22 H new ATOM 0 HB2 LEU A 35 17.796 5.841 -9.880 1.00 20.33 H new ATOM 0 HB3 LEU A 35 16.582 4.936 -10.761 1.00 20.33 H new ATOM 0 HG LEU A 35 18.325 5.795 -12.242 1.00 20.31 H new ATOM 0 HD11 LEU A 35 16.872 6.883 -13.907 1.00 33.13 H new ATOM 0 HD12 LEU A 35 16.069 5.495 -13.135 1.00 33.13 H new ATOM 0 HD13 LEU A 35 15.641 7.153 -12.649 1.00 33.13 H new ATOM 0 HD21 LEU A 35 18.533 8.215 -12.662 1.00 34.32 H new ATOM 0 HD22 LEU A 35 17.369 8.537 -11.356 1.00 34.32 H new ATOM 0 HD23 LEU A 35 18.944 7.799 -10.981 1.00 34.32 H new ATOM 545 N LEU A 36 13.955 7.185 -11.366 1.00 50.12 N ATOM 546 CA LEU A 36 12.655 6.901 -11.964 1.00 31.44 C ATOM 547 C LEU A 36 12.769 6.769 -13.479 1.00 10.30 C ATOM 548 O LEU A 36 12.271 5.810 -14.068 1.00 62.31 O ATOM 549 CB LEU A 36 11.657 8.004 -11.610 1.00 15.23 C ATOM 550 CG LEU A 36 11.552 8.365 -10.127 1.00 64.04 C ATOM 551 CD1 LEU A 36 11.270 9.850 -9.958 1.00 34.41 C ATOM 552 CD2 LEU A 36 10.472 7.534 -9.451 1.00 21.32 C ATOM 0 H LEU A 36 14.384 8.054 -11.683 1.00 50.12 H new ATOM 0 HA LEU A 36 12.297 5.953 -11.562 1.00 31.44 H new ATOM 0 HB2 LEU A 36 11.928 8.903 -12.164 1.00 15.23 H new ATOM 0 HB3 LEU A 36 10.671 7.700 -11.960 1.00 15.23 H new ATOM 0 HG LEU A 36 12.506 8.141 -9.650 1.00 64.04 H new ATOM 0 HD11 LEU A 36 11.199 10.088 -8.897 1.00 34.41 H new ATOM 0 HD12 LEU A 36 12.079 10.427 -10.406 1.00 34.41 H new ATOM 0 HD13 LEU A 36 10.330 10.100 -10.450 1.00 34.41 H new ATOM 0 HD21 LEU A 36 10.411 7.804 -8.397 1.00 21.32 H new ATOM 0 HD22 LEU A 36 9.512 7.726 -9.930 1.00 21.32 H new ATOM 0 HD23 LEU A 36 10.718 6.476 -9.541 1.00 21.32 H new ATOM 564 N ASP A 37 13.429 7.738 -14.103 1.00 50.44 N ATOM 565 CA ASP A 37 13.612 7.730 -15.550 1.00 72.32 C ATOM 566 C ASP A 37 15.059 8.044 -15.917 1.00 31.30 C ATOM 567 O ASP A 37 15.564 9.126 -15.621 1.00 11.44 O ATOM 568 CB ASP A 37 12.674 8.742 -16.210 1.00 62.13 C ATOM 569 CG ASP A 37 11.766 8.103 -17.243 1.00 24.45 C ATOM 570 OD1 ASP A 37 12.239 7.846 -18.369 1.00 74.44 O ATOM 571 OD2 ASP A 37 10.583 7.860 -16.924 1.00 3.22 O ATOM 0 H ASP A 37 13.846 8.539 -13.630 1.00 50.44 H new ATOM 0 HA ASP A 37 13.372 6.732 -15.916 1.00 72.32 H new ATOM 0 HB2 ASP A 37 12.066 9.223 -15.444 1.00 62.13 H new ATOM 0 HB3 ASP A 37 13.265 9.525 -16.685 1.00 62.13 H new ATOM 576 N SER A 38 15.721 7.089 -16.563 1.00 20.15 N ATOM 577 CA SER A 38 17.112 7.262 -16.965 1.00 72.54 C ATOM 578 C SER A 38 17.259 7.135 -18.479 1.00 14.42 C ATOM 579 O SER A 38 17.746 6.124 -18.984 1.00 51.31 O ATOM 580 CB SER A 38 17.999 6.229 -16.268 1.00 31.32 C ATOM 581 OG SER A 38 17.329 4.987 -16.137 1.00 23.33 O ATOM 0 H SER A 38 15.317 6.188 -16.819 1.00 20.15 H new ATOM 0 HA SER A 38 17.429 8.262 -16.668 1.00 72.54 H new ATOM 0 HB2 SER A 38 18.918 6.092 -16.837 1.00 31.32 H new ATOM 0 HB3 SER A 38 18.286 6.597 -15.283 1.00 31.32 H new ATOM 0 HG SER A 38 17.918 4.343 -15.690 1.00 23.33 H new ATOM 587 N SER A 39 16.833 8.170 -19.197 1.00 2.25 N ATOM 588 CA SER A 39 16.913 8.175 -20.653 1.00 20.05 C ATOM 589 C SER A 39 18.343 8.431 -21.117 1.00 44.33 C ATOM 590 O SER A 39 18.897 7.666 -21.906 1.00 50.21 O ATOM 591 CB SER A 39 15.978 9.238 -21.232 1.00 42.32 C ATOM 592 OG SER A 39 15.992 9.212 -22.649 1.00 34.51 O ATOM 0 H SER A 39 16.429 9.015 -18.794 1.00 2.25 H new ATOM 0 HA SER A 39 16.603 7.194 -21.013 1.00 20.05 H new ATOM 0 HB2 SER A 39 14.963 9.069 -20.872 1.00 42.32 H new ATOM 0 HB3 SER A 39 16.281 10.224 -20.880 1.00 42.32 H new ATOM 0 HG SER A 39 15.385 9.900 -22.995 1.00 34.51 H new ATOM 598 N GLU A 40 18.935 9.514 -20.622 1.00 21.34 N ATOM 599 CA GLU A 40 20.301 9.872 -20.987 1.00 33.23 C ATOM 600 C GLU A 40 20.893 10.853 -19.980 1.00 3.51 C ATOM 601 O GLU A 40 20.170 11.463 -19.191 1.00 73.54 O ATOM 602 CB GLU A 40 20.334 10.481 -22.390 1.00 21.01 C ATOM 603 CG GLU A 40 21.411 9.891 -23.284 1.00 63.42 C ATOM 604 CD GLU A 40 20.845 9.266 -24.544 1.00 63.55 C ATOM 605 OE1 GLU A 40 20.272 10.007 -25.370 1.00 3.14 O ATOM 606 OE2 GLU A 40 20.976 8.034 -24.705 1.00 60.13 O ATOM 0 H GLU A 40 18.490 10.158 -19.968 1.00 21.34 H new ATOM 0 HA GLU A 40 20.903 8.963 -20.979 1.00 33.23 H new ATOM 0 HB2 GLU A 40 19.362 10.337 -22.862 1.00 21.01 H new ATOM 0 HB3 GLU A 40 20.492 11.556 -22.307 1.00 21.01 H new ATOM 0 HG2 GLU A 40 22.120 10.673 -23.557 1.00 63.42 H new ATOM 0 HG3 GLU A 40 21.967 9.137 -22.727 1.00 63.42 H new ATOM 613 N ILE A 41 22.213 11.001 -20.013 1.00 24.32 N ATOM 614 CA ILE A 41 22.903 11.908 -19.104 1.00 43.03 C ATOM 615 C ILE A 41 22.330 13.318 -19.196 1.00 4.33 C ATOM 616 O ILE A 41 22.462 14.115 -18.266 1.00 31.01 O ATOM 617 CB ILE A 41 24.414 11.960 -19.400 1.00 30.43 C ATOM 618 CG1 ILE A 41 25.141 12.756 -18.314 1.00 41.13 C ATOM 619 CG2 ILE A 41 24.665 12.570 -20.770 1.00 41.13 C ATOM 620 CD1 ILE A 41 25.329 14.217 -18.660 1.00 73.32 C ATOM 0 H ILE A 41 22.826 10.504 -20.659 1.00 24.32 H new ATOM 0 HA ILE A 41 22.752 11.521 -18.096 1.00 43.03 H new ATOM 0 HB ILE A 41 24.805 10.942 -19.401 1.00 30.43 H new ATOM 0 HG12 ILE A 41 24.580 12.681 -17.383 1.00 41.13 H new ATOM 0 HG13 ILE A 41 26.117 12.305 -18.136 1.00 41.13 H new ATOM 0 HG21 ILE A 41 25.737 12.600 -20.964 1.00 41.13 H new ATOM 0 HG22 ILE A 41 24.175 11.965 -21.533 1.00 41.13 H new ATOM 0 HG23 ILE A 41 24.263 13.583 -20.796 1.00 41.13 H new ATOM 0 HD11 ILE A 41 25.851 14.720 -17.846 1.00 73.32 H new ATOM 0 HD12 ILE A 41 25.916 14.302 -19.574 1.00 73.32 H new ATOM 0 HD13 ILE A 41 24.355 14.684 -18.809 1.00 73.32 H new ATOM 632 N HIS A 42 21.692 13.620 -20.322 1.00 44.11 N ATOM 633 CA HIS A 42 21.096 14.934 -20.535 1.00 3.35 C ATOM 634 C HIS A 42 20.131 15.282 -19.405 1.00 44.20 C ATOM 635 O HIS A 42 20.175 16.383 -18.856 1.00 53.22 O ATOM 636 CB HIS A 42 20.365 14.975 -21.877 1.00 32.05 C ATOM 637 CG HIS A 42 21.211 14.541 -23.033 1.00 60.44 C ATOM 638 ND1 HIS A 42 22.589 14.569 -23.010 1.00 44.22 N ATOM 639 CD2 HIS A 42 20.867 14.063 -24.252 1.00 54.43 C ATOM 640 CE1 HIS A 42 23.056 14.130 -24.165 1.00 43.13 C ATOM 641 NE2 HIS A 42 22.031 13.816 -24.937 1.00 1.12 N ATOM 0 H HIS A 42 21.574 12.972 -21.101 1.00 44.11 H new ATOM 0 HA HIS A 42 21.898 15.672 -20.545 1.00 3.35 H new ATOM 0 HB2 HIS A 42 19.484 14.335 -21.821 1.00 32.05 H new ATOM 0 HB3 HIS A 42 20.011 15.990 -22.058 1.00 32.05 H new ATOM 0 HD2 HIS A 42 19.863 13.905 -24.618 1.00 54.43 H new ATOM 0 HE1 HIS A 42 24.099 14.043 -24.433 1.00 43.13 H new ATOM 0 HE2 HIS A 42 22.094 13.450 -25.887 1.00 1.12 H new ATOM 649 N TRP A 43 19.262 14.338 -19.064 1.00 64.43 N ATOM 650 CA TRP A 43 18.286 14.545 -18.001 1.00 2.24 C ATOM 651 C TRP A 43 17.915 13.224 -17.337 1.00 74.43 C ATOM 652 O TRP A 43 17.554 12.260 -18.013 1.00 31.22 O ATOM 653 CB TRP A 43 17.032 15.222 -18.556 1.00 70.42 C ATOM 654 CG TRP A 43 16.331 14.407 -19.601 1.00 43.22 C ATOM 655 CD1 TRP A 43 16.485 14.503 -20.955 1.00 4.22 C ATOM 656 CD2 TRP A 43 15.365 13.374 -19.378 1.00 1.54 C ATOM 657 NE1 TRP A 43 15.673 13.592 -21.586 1.00 41.32 N ATOM 658 CE2 TRP A 43 14.976 12.887 -20.641 1.00 4.12 C ATOM 659 CE3 TRP A 43 14.792 12.813 -18.234 1.00 22.44 C ATOM 660 CZ2 TRP A 43 14.041 11.867 -20.789 1.00 32.31 C ATOM 661 CZ3 TRP A 43 13.864 11.800 -18.382 1.00 54.23 C ATOM 662 CH2 TRP A 43 13.496 11.335 -19.652 1.00 12.01 C ATOM 0 H TRP A 43 19.213 13.421 -19.508 1.00 64.43 H new ATOM 0 HA TRP A 43 18.737 15.193 -17.249 1.00 2.24 H new ATOM 0 HB2 TRP A 43 16.342 15.420 -17.736 1.00 70.42 H new ATOM 0 HB3 TRP A 43 17.307 16.187 -18.982 1.00 70.42 H new ATOM 0 HD1 TRP A 43 17.148 15.193 -21.456 1.00 4.22 H new ATOM 0 HE1 TRP A 43 15.601 13.462 -22.595 1.00 41.32 H new ATOM 0 HE3 TRP A 43 15.069 13.165 -17.251 1.00 22.44 H new ATOM 0 HZ2 TRP A 43 13.756 11.508 -21.767 1.00 32.31 H new ATOM 0 HZ3 TRP A 43 13.415 11.359 -17.504 1.00 54.23 H new ATOM 0 HH2 TRP A 43 12.768 10.541 -19.735 1.00 12.01 H new ATOM 673 N TRP A 44 18.005 13.186 -16.013 1.00 33.41 N ATOM 674 CA TRP A 44 17.677 11.981 -15.259 1.00 22.30 C ATOM 675 C TRP A 44 16.586 12.261 -14.232 1.00 11.22 C ATOM 676 O TRP A 44 16.762 13.087 -13.336 1.00 33.12 O ATOM 677 CB TRP A 44 18.924 11.437 -14.561 1.00 25.54 C ATOM 678 CG TRP A 44 19.612 10.352 -15.333 1.00 60.40 C ATOM 679 CD1 TRP A 44 19.556 10.144 -16.682 1.00 0.13 C ATOM 680 CD2 TRP A 44 20.457 9.325 -14.802 1.00 0.21 C ATOM 681 NE1 TRP A 44 20.315 9.050 -17.021 1.00 4.30 N ATOM 682 CE2 TRP A 44 20.879 8.531 -15.886 1.00 22.21 C ATOM 683 CE3 TRP A 44 20.900 9.001 -13.517 1.00 31.02 C ATOM 684 CZ2 TRP A 44 21.721 7.434 -15.721 1.00 73.21 C ATOM 685 CZ3 TRP A 44 21.735 7.912 -13.355 1.00 33.21 C ATOM 686 CH2 TRP A 44 22.139 7.139 -14.452 1.00 12.21 C ATOM 0 H TRP A 44 18.302 13.975 -15.439 1.00 33.41 H new ATOM 0 HA TRP A 44 17.306 11.233 -15.960 1.00 22.30 H new ATOM 0 HB2 TRP A 44 19.625 12.255 -14.395 1.00 25.54 H new ATOM 0 HB3 TRP A 44 18.644 11.053 -13.580 1.00 25.54 H new ATOM 0 HD1 TRP A 44 18.997 10.750 -17.380 1.00 0.13 H new ATOM 0 HE1 TRP A 44 20.438 8.684 -17.965 1.00 4.30 H new ATOM 0 HE3 TRP A 44 20.595 9.591 -12.665 1.00 31.02 H new ATOM 0 HZ2 TRP A 44 22.033 6.837 -16.565 1.00 73.21 H new ATOM 0 HZ3 TRP A 44 22.082 7.652 -12.366 1.00 33.21 H new ATOM 0 HH2 TRP A 44 22.793 6.294 -14.293 1.00 12.21 H new ATOM 697 N ARG A 45 15.460 11.569 -14.368 1.00 15.05 N ATOM 698 CA ARG A 45 14.339 11.745 -13.451 1.00 45.20 C ATOM 699 C ARG A 45 14.544 10.927 -12.179 1.00 40.41 C ATOM 700 O ARG A 45 14.632 9.700 -12.225 1.00 2.43 O ATOM 701 CB ARG A 45 13.030 11.336 -14.128 1.00 11.32 C ATOM 702 CG ARG A 45 11.995 12.448 -14.173 1.00 15.13 C ATOM 703 CD ARG A 45 10.582 11.900 -14.044 1.00 21.40 C ATOM 704 NE ARG A 45 9.810 12.609 -13.028 1.00 12.24 N ATOM 705 CZ ARG A 45 8.539 12.341 -12.750 1.00 53.23 C ATOM 706 NH1 ARG A 45 7.900 11.384 -13.410 1.00 4.24 N ATOM 707 NH2 ARG A 45 7.904 13.031 -11.811 1.00 74.23 N ATOM 0 H ARG A 45 15.299 10.881 -15.104 1.00 15.05 H new ATOM 0 HA ARG A 45 14.286 12.799 -13.180 1.00 45.20 H new ATOM 0 HB2 ARG A 45 13.244 11.009 -15.145 1.00 11.32 H new ATOM 0 HB3 ARG A 45 12.609 10.481 -13.600 1.00 11.32 H new ATOM 0 HG2 ARG A 45 12.186 13.157 -13.368 1.00 15.13 H new ATOM 0 HG3 ARG A 45 12.089 12.997 -15.110 1.00 15.13 H new ATOM 0 HD2 ARG A 45 10.074 11.978 -15.005 1.00 21.40 H new ATOM 0 HD3 ARG A 45 10.626 10.840 -13.792 1.00 21.40 H new ATOM 0 HE ARG A 45 10.272 13.351 -12.503 1.00 12.24 H new ATOM 0 HH11 ARG A 45 8.385 10.852 -14.133 1.00 4.24 H new ATOM 0 HH12 ARG A 45 6.924 11.180 -13.195 1.00 4.24 H new ATOM 0 HH21 ARG A 45 8.392 13.768 -11.302 1.00 74.23 H new ATOM 0 HH22 ARG A 45 6.928 12.824 -11.598 1.00 74.23 H new ATOM 721 N VAL A 46 14.619 11.616 -11.045 1.00 3.14 N ATOM 722 CA VAL A 46 14.813 10.954 -9.760 1.00 11.41 C ATOM 723 C VAL A 46 13.863 11.512 -8.706 1.00 31.11 C ATOM 724 O VAL A 46 13.198 12.523 -8.929 1.00 10.10 O ATOM 725 CB VAL A 46 16.262 11.109 -9.262 1.00 22.51 C ATOM 726 CG1 VAL A 46 17.243 10.603 -10.309 1.00 3.13 C ATOM 727 CG2 VAL A 46 16.551 12.559 -8.905 1.00 20.22 C ATOM 0 H VAL A 46 14.548 12.632 -10.990 1.00 3.14 H new ATOM 0 HA VAL A 46 14.601 9.896 -9.914 1.00 11.41 H new ATOM 0 HB VAL A 46 16.385 10.506 -8.362 1.00 22.51 H new ATOM 0 HG11 VAL A 46 18.262 10.720 -9.940 1.00 3.13 H new ATOM 0 HG12 VAL A 46 17.049 9.549 -10.510 1.00 3.13 H new ATOM 0 HG13 VAL A 46 17.122 11.176 -11.228 1.00 3.13 H new ATOM 0 HG21 VAL A 46 17.579 12.650 -8.555 1.00 20.22 H new ATOM 0 HG22 VAL A 46 16.411 13.185 -9.786 1.00 20.22 H new ATOM 0 HG23 VAL A 46 15.870 12.883 -8.118 1.00 20.22 H new ATOM 737 N GLN A 47 13.805 10.846 -7.557 1.00 64.53 N ATOM 738 CA GLN A 47 12.936 11.275 -6.468 1.00 61.03 C ATOM 739 C GLN A 47 13.707 11.352 -5.155 1.00 0.34 C ATOM 740 O GLN A 47 14.577 10.524 -4.885 1.00 3.44 O ATOM 741 CB GLN A 47 11.753 10.316 -6.323 1.00 41.14 C ATOM 742 CG GLN A 47 10.913 10.569 -5.082 1.00 2.40 C ATOM 743 CD GLN A 47 9.558 9.893 -5.146 1.00 51.34 C ATOM 744 OE1 GLN A 47 9.150 9.392 -6.195 1.00 4.22 O ATOM 745 NE2 GLN A 47 8.851 9.875 -4.023 1.00 11.45 N ATOM 0 H GLN A 47 14.350 10.007 -7.356 1.00 64.53 H new ATOM 0 HA GLN A 47 12.561 12.270 -6.707 1.00 61.03 H new ATOM 0 HB2 GLN A 47 11.118 10.400 -7.205 1.00 41.14 H new ATOM 0 HB3 GLN A 47 12.127 9.293 -6.296 1.00 41.14 H new ATOM 0 HG2 GLN A 47 11.452 10.212 -4.204 1.00 2.40 H new ATOM 0 HG3 GLN A 47 10.773 11.643 -4.955 1.00 2.40 H new ATOM 0 HE21 GLN A 47 9.227 10.302 -3.177 1.00 11.45 H new ATOM 0 HE22 GLN A 47 7.931 9.434 -4.006 1.00 11.45 H new ATOM 754 N ASP A 48 13.382 12.351 -4.342 1.00 10.43 N ATOM 755 CA ASP A 48 14.044 12.537 -3.055 1.00 75.43 C ATOM 756 C ASP A 48 13.449 11.610 -2.000 1.00 34.31 C ATOM 757 O ASP A 48 12.572 10.797 -2.296 1.00 44.21 O ATOM 758 CB ASP A 48 13.923 13.992 -2.600 1.00 74.14 C ATOM 759 CG ASP A 48 14.229 14.974 -3.714 1.00 74.11 C ATOM 760 OD1 ASP A 48 14.945 14.591 -4.662 1.00 71.33 O ATOM 761 OD2 ASP A 48 13.753 16.126 -3.637 1.00 54.11 O ATOM 0 H ASP A 48 12.664 13.045 -4.551 1.00 10.43 H new ATOM 0 HA ASP A 48 15.099 12.290 -3.178 1.00 75.43 H new ATOM 0 HB2 ASP A 48 12.914 14.171 -2.229 1.00 74.14 H new ATOM 0 HB3 ASP A 48 14.605 14.167 -1.768 1.00 74.14 H new ATOM 766 N ARG A 49 13.931 11.737 -0.768 1.00 64.32 N ATOM 767 CA ARG A 49 13.449 10.909 0.331 1.00 60.14 C ATOM 768 C ARG A 49 12.320 11.607 1.083 1.00 51.54 C ATOM 769 O ARG A 49 11.984 11.233 2.205 1.00 33.20 O ATOM 770 CB ARG A 49 14.593 10.585 1.293 1.00 31.52 C ATOM 771 CG ARG A 49 15.191 11.811 1.964 1.00 72.52 C ATOM 772 CD ARG A 49 16.643 11.581 2.352 1.00 31.41 C ATOM 773 NE ARG A 49 16.764 10.871 3.623 1.00 71.23 N ATOM 774 CZ ARG A 49 17.918 10.433 4.113 1.00 63.22 C ATOM 775 NH1 ARG A 49 19.045 10.631 3.443 1.00 52.44 N ATOM 776 NH2 ARG A 49 17.947 9.795 5.276 1.00 3.11 N ATOM 0 H ARG A 49 14.655 12.406 -0.506 1.00 64.32 H new ATOM 0 HA ARG A 49 13.063 9.980 -0.089 1.00 60.14 H new ATOM 0 HB2 ARG A 49 14.228 9.903 2.061 1.00 31.52 H new ATOM 0 HB3 ARG A 49 15.378 10.061 0.747 1.00 31.52 H new ATOM 0 HG2 ARG A 49 15.124 12.665 1.290 1.00 72.52 H new ATOM 0 HG3 ARG A 49 14.611 12.060 2.853 1.00 72.52 H new ATOM 0 HD2 ARG A 49 17.141 11.010 1.569 1.00 31.41 H new ATOM 0 HD3 ARG A 49 17.156 12.540 2.422 1.00 31.41 H new ATOM 0 HE ARG A 49 15.916 10.702 4.164 1.00 71.23 H new ATOM 0 HH11 ARG A 49 19.027 11.121 2.549 1.00 52.44 H new ATOM 0 HH12 ARG A 49 19.930 10.293 3.822 1.00 52.44 H new ATOM 0 HH21 ARG A 49 17.082 9.640 5.795 1.00 3.11 H new ATOM 0 HH22 ARG A 49 18.834 9.459 5.651 1.00 3.11 H new ATOM 790 N ASN A 50 11.739 12.625 0.455 1.00 1.23 N ATOM 791 CA ASN A 50 10.648 13.377 1.065 1.00 5.05 C ATOM 792 C ASN A 50 9.369 13.243 0.245 1.00 64.12 C ATOM 793 O ASN A 50 8.265 13.369 0.772 1.00 30.21 O ATOM 794 CB ASN A 50 11.030 14.853 1.198 1.00 23.31 C ATOM 795 CG ASN A 50 12.424 15.041 1.766 1.00 71.42 C ATOM 796 OD1 ASN A 50 12.593 15.257 2.966 1.00 64.02 O ATOM 797 ND2 ASN A 50 13.430 14.959 0.903 1.00 61.40 N ATOM 0 H ASN A 50 12.005 12.948 -0.475 1.00 1.23 H new ATOM 0 HA ASN A 50 10.466 12.965 2.057 1.00 5.05 H new ATOM 0 HB2 ASN A 50 10.972 15.330 0.220 1.00 23.31 H new ATOM 0 HB3 ASN A 50 10.308 15.356 1.841 1.00 23.31 H new ATOM 0 HD21 ASN A 50 14.390 15.077 1.226 1.00 61.40 H new ATOM 0 HD22 ASN A 50 13.242 14.778 -0.083 1.00 61.40 H new ATOM 804 N GLY A 51 9.528 12.986 -1.050 1.00 74.12 N ATOM 805 CA GLY A 51 8.378 12.838 -1.923 1.00 54.30 C ATOM 806 C GLY A 51 8.389 13.829 -3.070 1.00 3.51 C ATOM 807 O GLY A 51 7.336 14.209 -3.583 1.00 61.31 O ATOM 0 H GLY A 51 10.432 12.878 -1.510 1.00 74.12 H new ATOM 0 HA2 GLY A 51 8.358 11.824 -2.323 1.00 54.30 H new ATOM 0 HA3 GLY A 51 7.465 12.970 -1.342 1.00 54.30 H new ATOM 811 N HIS A 52 9.584 14.252 -3.473 1.00 15.13 N ATOM 812 CA HIS A 52 9.728 15.207 -4.566 1.00 71.30 C ATOM 813 C HIS A 52 10.523 14.598 -5.717 1.00 40.22 C ATOM 814 O HIS A 52 11.650 14.140 -5.531 1.00 11.40 O ATOM 815 CB HIS A 52 10.416 16.480 -4.072 1.00 61.42 C ATOM 816 CG HIS A 52 9.804 17.048 -2.829 1.00 31.31 C ATOM 817 ND1 HIS A 52 10.384 16.930 -1.583 1.00 55.43 N ATOM 818 CD2 HIS A 52 8.657 17.742 -2.645 1.00 33.04 C ATOM 819 CE1 HIS A 52 9.618 17.526 -0.686 1.00 45.42 C ATOM 820 NE2 HIS A 52 8.564 18.027 -1.305 1.00 4.54 N ATOM 0 H HIS A 52 10.465 13.948 -3.059 1.00 15.13 H new ATOM 0 HA HIS A 52 8.732 15.460 -4.929 1.00 71.30 H new ATOM 0 HB2 HIS A 52 11.468 16.265 -3.884 1.00 61.42 H new ATOM 0 HB3 HIS A 52 10.381 17.232 -4.861 1.00 61.42 H new ATOM 0 HD2 HIS A 52 7.947 18.020 -3.410 1.00 33.04 H new ATOM 0 HE1 HIS A 52 9.819 17.592 0.373 1.00 45.42 H new ATOM 0 HE2 HIS A 52 7.804 18.542 -0.860 1.00 4.54 H new ATOM 828 N GLU A 53 9.928 14.597 -6.906 1.00 34.42 N ATOM 829 CA GLU A 53 10.581 14.043 -8.086 1.00 33.51 C ATOM 830 C GLU A 53 10.867 15.135 -9.113 1.00 35.43 C ATOM 831 O GLU A 53 10.026 15.995 -9.370 1.00 52.03 O ATOM 832 CB GLU A 53 9.710 12.952 -8.714 1.00 12.33 C ATOM 833 CG GLU A 53 9.114 11.990 -7.700 1.00 2.03 C ATOM 834 CD GLU A 53 7.623 12.192 -7.509 1.00 45.04 C ATOM 835 OE1 GLU A 53 6.902 12.281 -8.524 1.00 51.55 O ATOM 836 OE2 GLU A 53 7.179 12.260 -6.344 1.00 53.33 O ATOM 0 H GLU A 53 8.996 14.973 -7.077 1.00 34.42 H new ATOM 0 HA GLU A 53 11.529 13.605 -7.773 1.00 33.51 H new ATOM 0 HB2 GLU A 53 8.902 13.422 -9.275 1.00 12.33 H new ATOM 0 HB3 GLU A 53 10.309 12.388 -9.429 1.00 12.33 H new ATOM 0 HG2 GLU A 53 9.299 10.966 -8.024 1.00 2.03 H new ATOM 0 HG3 GLU A 53 9.620 12.118 -6.743 1.00 2.03 H new ATOM 843 N GLY A 54 12.061 15.093 -9.696 1.00 33.30 N ATOM 844 CA GLY A 54 12.437 16.084 -10.687 1.00 64.41 C ATOM 845 C GLY A 54 13.527 15.588 -11.617 1.00 3.31 C ATOM 846 O GLY A 54 13.881 14.409 -11.597 1.00 42.24 O ATOM 0 H GLY A 54 12.774 14.391 -9.500 1.00 33.30 H new ATOM 0 HA2 GLY A 54 11.560 16.358 -11.273 1.00 64.41 H new ATOM 0 HA3 GLY A 54 12.778 16.988 -10.182 1.00 64.41 H new ATOM 850 N TYR A 55 14.060 16.490 -12.435 1.00 33.35 N ATOM 851 CA TYR A 55 15.113 16.137 -13.379 1.00 51.02 C ATOM 852 C TYR A 55 16.475 16.605 -12.876 1.00 40.22 C ATOM 853 O TYR A 55 16.590 17.659 -12.250 1.00 43.14 O ATOM 854 CB TYR A 55 14.824 16.751 -14.750 1.00 2.51 C ATOM 855 CG TYR A 55 13.579 16.203 -15.409 1.00 52.11 C ATOM 856 CD1 TYR A 55 12.315 16.570 -14.964 1.00 33.54 C ATOM 857 CD2 TYR A 55 13.666 15.318 -16.476 1.00 61.04 C ATOM 858 CE1 TYR A 55 11.174 16.071 -15.562 1.00 71.43 C ATOM 859 CE2 TYR A 55 12.531 14.815 -17.082 1.00 52.31 C ATOM 860 CZ TYR A 55 11.287 15.194 -16.621 1.00 42.34 C ATOM 861 OH TYR A 55 10.154 14.695 -17.221 1.00 70.41 O ATOM 0 H TYR A 55 13.780 17.470 -12.463 1.00 33.35 H new ATOM 0 HA TYR A 55 15.134 15.051 -13.472 1.00 51.02 H new ATOM 0 HB2 TYR A 55 14.722 17.831 -14.641 1.00 2.51 H new ATOM 0 HB3 TYR A 55 15.678 16.576 -15.404 1.00 2.51 H new ATOM 0 HD1 TYR A 55 12.223 17.257 -14.136 1.00 33.54 H new ATOM 0 HD2 TYR A 55 14.638 15.018 -16.838 1.00 61.04 H new ATOM 0 HE1 TYR A 55 10.199 16.366 -15.203 1.00 71.43 H new ATOM 0 HE2 TYR A 55 12.617 14.129 -17.912 1.00 52.31 H new ATOM 0 HH TYR A 55 10.409 14.093 -17.951 1.00 70.41 H new ATOM 871 N VAL A 56 17.506 15.814 -13.155 1.00 73.53 N ATOM 872 CA VAL A 56 18.861 16.146 -12.734 1.00 3.03 C ATOM 873 C VAL A 56 19.895 15.512 -13.657 1.00 62.51 C ATOM 874 O VAL A 56 19.661 14.470 -14.270 1.00 34.44 O ATOM 875 CB VAL A 56 19.128 15.685 -11.288 1.00 45.35 C ATOM 876 CG1 VAL A 56 18.456 16.622 -10.296 1.00 42.04 C ATOM 877 CG2 VAL A 56 18.653 14.254 -11.089 1.00 51.15 C ATOM 0 H VAL A 56 17.428 14.938 -13.671 1.00 73.53 H new ATOM 0 HA VAL A 56 18.951 17.231 -12.784 1.00 3.03 H new ATOM 0 HB VAL A 56 20.203 15.715 -11.108 1.00 45.35 H new ATOM 0 HG11 VAL A 56 18.656 16.280 -9.280 1.00 42.04 H new ATOM 0 HG12 VAL A 56 18.850 17.630 -10.424 1.00 42.04 H new ATOM 0 HG13 VAL A 56 17.380 16.628 -10.472 1.00 42.04 H new ATOM 0 HG21 VAL A 56 18.849 13.945 -10.062 1.00 51.15 H new ATOM 0 HG22 VAL A 56 17.583 14.195 -11.287 1.00 51.15 H new ATOM 0 HG23 VAL A 56 19.186 13.595 -11.775 1.00 51.15 H new ATOM 887 N PRO A 57 21.069 16.153 -13.761 1.00 34.12 N ATOM 888 CA PRO A 57 22.163 15.669 -14.607 1.00 23.30 C ATOM 889 C PRO A 57 22.797 14.393 -14.062 1.00 0.53 C ATOM 890 O PRO A 57 23.266 14.359 -12.924 1.00 40.41 O ATOM 891 CB PRO A 57 23.171 16.821 -14.578 1.00 15.12 C ATOM 892 CG PRO A 57 22.896 17.532 -13.297 1.00 61.35 C ATOM 893 CD PRO A 57 21.417 17.400 -13.059 1.00 62.15 C ATOM 0 HA PRO A 57 21.819 15.410 -15.608 1.00 23.30 H new ATOM 0 HB2 PRO A 57 24.196 16.451 -14.614 1.00 15.12 H new ATOM 0 HB3 PRO A 57 23.041 17.483 -15.434 1.00 15.12 H new ATOM 0 HG2 PRO A 57 23.464 17.092 -12.477 1.00 61.35 H new ATOM 0 HG3 PRO A 57 23.189 18.580 -13.362 1.00 61.35 H new ATOM 0 HD2 PRO A 57 21.185 17.341 -11.996 1.00 62.15 H new ATOM 0 HD3 PRO A 57 20.868 18.253 -13.458 1.00 62.15 H new ATOM 901 N SER A 58 22.808 13.347 -14.881 1.00 31.44 N ATOM 902 CA SER A 58 23.381 12.068 -14.479 1.00 23.54 C ATOM 903 C SER A 58 24.883 12.196 -14.240 1.00 13.41 C ATOM 904 O SER A 58 25.477 11.402 -13.512 1.00 21.34 O ATOM 905 CB SER A 58 23.113 11.006 -15.547 1.00 34.22 C ATOM 906 OG SER A 58 23.381 9.705 -15.052 1.00 51.31 O ATOM 0 H SER A 58 22.427 13.360 -15.827 1.00 31.44 H new ATOM 0 HA SER A 58 22.906 11.763 -13.546 1.00 23.54 H new ATOM 0 HB2 SER A 58 22.075 11.068 -15.873 1.00 34.22 H new ATOM 0 HB3 SER A 58 23.734 11.201 -16.422 1.00 34.22 H new ATOM 0 HG SER A 58 22.536 9.247 -14.860 1.00 51.31 H new ATOM 912 N SER A 59 25.490 13.204 -14.859 1.00 73.34 N ATOM 913 CA SER A 59 26.922 13.436 -14.718 1.00 64.34 C ATOM 914 C SER A 59 27.305 13.594 -13.250 1.00 62.20 C ATOM 915 O SER A 59 28.448 13.345 -12.864 1.00 74.53 O ATOM 916 CB SER A 59 27.338 14.682 -15.503 1.00 23.24 C ATOM 917 OG SER A 59 28.744 14.859 -15.470 1.00 12.52 O ATOM 0 H SER A 59 25.012 13.873 -15.463 1.00 73.34 H new ATOM 0 HA SER A 59 27.447 12.570 -15.121 1.00 64.34 H new ATOM 0 HB2 SER A 59 27.004 14.593 -16.537 1.00 23.24 H new ATOM 0 HB3 SER A 59 26.848 15.561 -15.084 1.00 23.24 H new ATOM 0 HG SER A 59 28.985 15.661 -15.980 1.00 12.52 H new ATOM 923 N TYR A 60 26.342 14.010 -12.436 1.00 33.23 N ATOM 924 CA TYR A 60 26.577 14.204 -11.010 1.00 11.21 C ATOM 925 C TYR A 60 25.848 13.146 -10.188 1.00 72.52 C ATOM 926 O TYR A 60 25.649 13.306 -8.983 1.00 61.42 O ATOM 927 CB TYR A 60 26.122 15.600 -10.582 1.00 51.53 C ATOM 928 CG TYR A 60 26.732 16.714 -11.403 1.00 4.12 C ATOM 929 CD1 TYR A 60 26.241 17.024 -12.665 1.00 14.24 C ATOM 930 CD2 TYR A 60 27.801 17.457 -10.915 1.00 72.05 C ATOM 931 CE1 TYR A 60 26.796 18.040 -13.418 1.00 11.21 C ATOM 932 CE2 TYR A 60 28.362 18.476 -11.661 1.00 75.12 C ATOM 933 CZ TYR A 60 27.856 18.763 -12.912 1.00 11.31 C ATOM 934 OH TYR A 60 28.411 19.777 -13.659 1.00 0.24 O ATOM 0 H TYR A 60 25.391 14.220 -12.739 1.00 33.23 H new ATOM 0 HA TYR A 60 27.647 14.106 -10.828 1.00 11.21 H new ATOM 0 HB2 TYR A 60 25.036 15.658 -10.657 1.00 51.53 H new ATOM 0 HB3 TYR A 60 26.378 15.751 -9.533 1.00 51.53 H new ATOM 0 HD1 TYR A 60 25.411 16.461 -13.064 1.00 14.24 H new ATOM 0 HD2 TYR A 60 28.200 17.234 -9.936 1.00 72.05 H new ATOM 0 HE1 TYR A 60 26.402 18.267 -14.398 1.00 11.21 H new ATOM 0 HE2 TYR A 60 29.192 19.044 -11.267 1.00 75.12 H new ATOM 0 HH TYR A 60 29.147 20.187 -13.158 1.00 0.24 H new ATOM 944 N LEU A 61 25.452 12.063 -10.849 1.00 14.15 N ATOM 945 CA LEU A 61 24.745 10.976 -10.181 1.00 34.42 C ATOM 946 C LEU A 61 25.375 9.628 -10.518 1.00 4.35 C ATOM 947 O LEU A 61 25.659 9.337 -11.680 1.00 33.55 O ATOM 948 CB LEU A 61 23.269 10.976 -10.585 1.00 43.10 C ATOM 949 CG LEU A 61 22.380 11.999 -9.878 1.00 11.15 C ATOM 950 CD1 LEU A 61 20.989 12.013 -10.492 1.00 71.23 C ATOM 951 CD2 LEU A 61 22.303 11.699 -8.388 1.00 5.44 C ATOM 0 H LEU A 61 25.609 11.915 -11.846 1.00 14.15 H new ATOM 0 HA LEU A 61 24.821 11.134 -9.105 1.00 34.42 H new ATOM 0 HB2 LEU A 61 23.207 11.151 -11.659 1.00 43.10 H new ATOM 0 HB3 LEU A 61 22.862 9.982 -10.400 1.00 43.10 H new ATOM 0 HG LEU A 61 22.822 12.987 -10.008 1.00 11.15 H new ATOM 0 HD11 LEU A 61 20.371 12.747 -9.976 1.00 71.23 H new ATOM 0 HD12 LEU A 61 21.060 12.276 -11.547 1.00 71.23 H new ATOM 0 HD13 LEU A 61 20.538 11.026 -10.394 1.00 71.23 H new ATOM 0 HD21 LEU A 61 21.666 12.437 -7.901 1.00 5.44 H new ATOM 0 HD22 LEU A 61 21.885 10.704 -8.238 1.00 5.44 H new ATOM 0 HD23 LEU A 61 23.303 11.741 -7.956 1.00 5.44 H new ATOM 963 N VAL A 62 25.591 8.809 -9.493 1.00 41.01 N ATOM 964 CA VAL A 62 26.185 7.491 -9.680 1.00 61.24 C ATOM 965 C VAL A 62 25.247 6.391 -9.196 1.00 11.35 C ATOM 966 O VAL A 62 24.794 6.409 -8.052 1.00 14.03 O ATOM 967 CB VAL A 62 27.528 7.370 -8.936 1.00 62.52 C ATOM 968 CG1 VAL A 62 28.060 5.947 -9.022 1.00 51.01 C ATOM 969 CG2 VAL A 62 28.538 8.360 -9.496 1.00 22.20 C ATOM 0 H VAL A 62 25.363 9.035 -8.525 1.00 41.01 H new ATOM 0 HA VAL A 62 26.359 7.371 -10.749 1.00 61.24 H new ATOM 0 HB VAL A 62 27.364 7.608 -7.885 1.00 62.52 H new ATOM 0 HG11 VAL A 62 29.009 5.881 -8.491 1.00 51.01 H new ATOM 0 HG12 VAL A 62 27.343 5.262 -8.570 1.00 51.01 H new ATOM 0 HG13 VAL A 62 28.210 5.677 -10.067 1.00 51.01 H new ATOM 0 HG21 VAL A 62 29.481 8.261 -8.959 1.00 22.20 H new ATOM 0 HG22 VAL A 62 28.700 8.155 -10.554 1.00 22.20 H new ATOM 0 HG23 VAL A 62 28.158 9.375 -9.377 1.00 22.20 H new ATOM 979 N GLU A 63 24.960 5.435 -10.074 1.00 4.32 N ATOM 980 CA GLU A 63 24.075 4.327 -9.734 1.00 43.43 C ATOM 981 C GLU A 63 24.575 3.592 -8.494 1.00 13.43 C ATOM 982 O GLU A 63 25.647 2.988 -8.506 1.00 20.44 O ATOM 983 CB GLU A 63 23.968 3.353 -10.909 1.00 71.11 C ATOM 984 CG GLU A 63 22.863 3.703 -11.892 1.00 1.54 C ATOM 985 CD GLU A 63 23.158 3.220 -13.298 1.00 61.51 C ATOM 986 OE1 GLU A 63 23.845 3.948 -14.045 1.00 33.51 O ATOM 987 OE2 GLU A 63 22.702 2.112 -13.652 1.00 31.15 O ATOM 0 H GLU A 63 25.327 5.405 -11.025 1.00 4.32 H new ATOM 0 HA GLU A 63 23.088 4.736 -9.519 1.00 43.43 H new ATOM 0 HB2 GLU A 63 24.920 3.330 -11.439 1.00 71.11 H new ATOM 0 HB3 GLU A 63 23.794 2.349 -10.523 1.00 71.11 H new ATOM 0 HG2 GLU A 63 21.926 3.264 -11.550 1.00 1.54 H new ATOM 0 HG3 GLU A 63 22.723 4.784 -11.905 1.00 1.54 H new ATOM 994 N LYS A 64 23.790 3.650 -7.423 1.00 73.22 N ATOM 995 CA LYS A 64 24.149 2.990 -6.174 1.00 5.23 C ATOM 996 C LYS A 64 23.955 1.481 -6.280 1.00 23.04 C ATOM 997 O LYS A 64 22.833 0.983 -6.198 1.00 74.12 O ATOM 998 CB LYS A 64 23.309 3.544 -5.021 1.00 21.54 C ATOM 999 CG LYS A 64 23.919 3.299 -3.651 1.00 63.03 C ATOM 1000 CD LYS A 64 23.531 1.936 -3.103 1.00 64.13 C ATOM 1001 CE LYS A 64 24.658 0.928 -3.268 1.00 24.24 C ATOM 1002 NZ LYS A 64 24.821 0.075 -2.057 1.00 52.25 N ATOM 0 H LYS A 64 22.900 4.148 -7.396 1.00 73.22 H new ATOM 0 HA LYS A 64 25.202 3.189 -5.976 1.00 5.23 H new ATOM 0 HB2 LYS A 64 23.175 4.616 -5.163 1.00 21.54 H new ATOM 0 HB3 LYS A 64 22.318 3.091 -5.054 1.00 21.54 H new ATOM 0 HG2 LYS A 64 25.005 3.370 -3.717 1.00 63.03 H new ATOM 0 HG3 LYS A 64 23.590 4.076 -2.961 1.00 63.03 H new ATOM 0 HD2 LYS A 64 23.274 2.027 -2.048 1.00 64.13 H new ATOM 0 HD3 LYS A 64 22.641 1.576 -3.618 1.00 64.13 H new ATOM 0 HE2 LYS A 64 24.456 0.296 -4.133 1.00 24.24 H new ATOM 0 HE3 LYS A 64 25.590 1.455 -3.469 1.00 24.24 H new ATOM 0 HZ1 LYS A 64 25.599 -0.599 -2.209 1.00 52.25 H new ATOM 0 HZ2 LYS A 64 25.039 0.675 -1.236 1.00 52.25 H new ATOM 0 HZ3 LYS A 64 23.940 -0.448 -1.880 1.00 52.25 H new