USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 346 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 421 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 422 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 405 SER OG : rot -170:sc= 0.352 USER MOD Set 2.2: A 420 ASN : amide:sc= -2.81! C(o=-2.5!,f=-11!) USER MOD Single : A 383 LYS NZ :NH3+ -164:sc= 0.564 (180deg=-0.194) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.282 F(o=-1.5,f=-0.28) USER MOD Single : A 391 LYS NZ :NH3+ -167:sc= -0.0437 (180deg=-0.299) USER MOD Single : A 393 THR OG1 : rot -46:sc= 1.1 USER MOD Single : A 397 LYS NZ :NH3+ 145:sc= 1.28 (180deg=1.13) USER MOD Single : A 399 SER OG : rot -89:sc= 1.26 USER MOD Single : A 402 LYS NZ :NH3+ -141:sc= 1.19 (180deg=-0.363) USER MOD Single : A 407 HIS : no HD1:sc= -0.249 K(o=-0.25,f=-0.78) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 LYS NZ :NH3+ -159:sc= -0.0998 (180deg=-0.572) USER MOD Single : A 415 LYS NZ :NH3+ 165:sc= 0.319 (180deg=0.219) USER MOD Single : A 416 ASN : amide:sc= -0.608 K(o=-0.61,f=-2.5!) USER MOD Single : A 418 GLN :FLIP amide:sc= -0.787 F(o=-5.4!,f=-0.79) USER MOD Single : A 423 LYS NZ :NH3+ -168:sc= -0.0308 (180deg=-0.237) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0156) USER MOD Single : A 427 SER OG : rot -11:sc= 0.935 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -13.426 12.006 -1.792 1.00 0.00 N ATOM 2 CA GLY A 382 -13.813 11.732 -0.385 1.00 0.00 C ATOM 3 C GLY A 382 -12.643 11.883 0.564 1.00 0.00 C ATOM 4 O GLY A 382 -12.711 12.633 1.537 1.00 0.00 O ATOM 0 HA2 GLY A 382 -14.610 12.414 -0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -14.213 10.721 -0.309 1.00 0.00 H new ATOM 10 N LYS A 383 -11.548 11.209 0.246 1.00 0.00 N ATOM 11 CA LYS A 383 -10.322 11.293 1.028 1.00 0.00 C ATOM 12 C LYS A 383 -9.164 10.751 0.205 1.00 0.00 C ATOM 13 O LYS A 383 -9.367 9.889 -0.649 1.00 0.00 O ATOM 14 CB LYS A 383 -10.459 10.525 2.359 1.00 0.00 C ATOM 15 CG LYS A 383 -10.839 9.053 2.209 1.00 0.00 C ATOM 16 CD LYS A 383 -9.624 8.152 1.994 1.00 0.00 C ATOM 17 CE LYS A 383 -9.029 7.655 3.306 1.00 0.00 C ATOM 18 NZ LYS A 383 -8.468 8.753 4.143 1.00 0.00 N ATOM 0 H LYS A 383 -11.483 10.588 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 383 -10.129 12.337 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.514 10.589 2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -11.212 11.020 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -11.375 8.727 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -11.523 8.942 1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -9.913 7.297 1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -8.863 8.699 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -9.799 7.131 3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -8.243 6.931 3.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -7.848 8.350 4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -7.919 9.401 3.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -9.245 9.275 4.597 1.00 0.00 H new ATOM 32 N SER A 384 -7.985 11.317 0.395 1.00 0.00 N ATOM 33 CA SER A 384 -6.808 10.906 -0.361 1.00 0.00 C ATOM 34 C SER A 384 -6.346 9.512 0.069 1.00 0.00 C ATOM 35 O SER A 384 -5.887 9.323 1.193 1.00 0.00 O ATOM 36 CB SER A 384 -5.689 11.926 -0.157 1.00 0.00 C ATOM 37 OG SER A 384 -6.095 13.216 -0.583 1.00 0.00 O ATOM 0 H SER A 384 -7.814 12.065 1.067 1.00 0.00 H new ATOM 0 HA SER A 384 -7.066 10.862 -1.419 1.00 0.00 H new ATOM 0 HB2 SER A 384 -5.409 11.958 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 384 -4.804 11.617 -0.713 1.00 0.00 H new ATOM 0 HG SER A 384 -5.363 13.853 -0.441 1.00 0.00 H new ATOM 43 N PRO A 385 -6.525 8.504 -0.799 1.00 0.00 N ATOM 44 CA PRO A 385 -6.195 7.116 -0.479 1.00 0.00 C ATOM 45 C PRO A 385 -4.715 6.794 -0.683 1.00 0.00 C ATOM 46 O PRO A 385 -4.132 6.019 0.074 1.00 0.00 O ATOM 47 CB PRO A 385 -7.067 6.327 -1.448 1.00 0.00 C ATOM 48 CG PRO A 385 -7.222 7.212 -2.637 1.00 0.00 C ATOM 49 CD PRO A 385 -7.134 8.629 -2.137 1.00 0.00 C ATOM 0 HA PRO A 385 -6.376 6.882 0.570 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.599 5.381 -1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -8.034 6.089 -1.005 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.443 7.012 -3.372 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.178 7.034 -3.130 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.524 9.247 -2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.118 9.095 -2.085 1.00 0.00 H new ATOM 57 N GLU A 386 -4.115 7.397 -1.707 1.00 0.00 N ATOM 58 CA GLU A 386 -2.707 7.169 -2.012 1.00 0.00 C ATOM 59 C GLU A 386 -1.840 7.532 -0.816 1.00 0.00 C ATOM 60 O GLU A 386 -1.008 6.738 -0.377 1.00 0.00 O ATOM 61 CB GLU A 386 -2.286 7.994 -3.233 1.00 0.00 C ATOM 62 CG GLU A 386 -0.848 7.757 -3.667 1.00 0.00 C ATOM 63 CD GLU A 386 -0.645 6.402 -4.309 1.00 0.00 C ATOM 64 OE1 GLU A 386 -1.176 6.182 -5.416 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.052 5.552 -3.713 1.00 0.00 O ATOM 0 H GLU A 386 -4.583 8.047 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.570 6.111 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.950 7.760 -4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.418 9.052 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.553 8.535 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.193 7.845 -2.801 1.00 0.00 H new ATOM 72 N ALA A 387 -2.083 8.715 -0.264 1.00 0.00 N ATOM 73 CA ALA A 387 -1.350 9.188 0.901 1.00 0.00 C ATOM 74 C ALA A 387 -1.482 8.218 2.069 1.00 0.00 C ATOM 75 O ALA A 387 -0.494 7.892 2.725 1.00 0.00 O ATOM 76 CB ALA A 387 -1.837 10.571 1.300 1.00 0.00 C ATOM 0 H ALA A 387 -2.787 9.367 -0.609 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.294 9.248 0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.282 10.915 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.680 11.264 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.899 10.527 1.540 1.00 0.00 H new ATOM 82 N GLU A 388 -2.696 7.715 2.279 1.00 0.00 N ATOM 83 CA GLU A 388 -2.960 6.747 3.340 1.00 0.00 C ATOM 84 C GLU A 388 -2.104 5.496 3.168 1.00 0.00 C ATOM 85 O GLU A 388 -1.476 5.026 4.118 1.00 0.00 O ATOM 86 CB GLU A 388 -4.437 6.355 3.346 1.00 0.00 C ATOM 87 CG GLU A 388 -5.388 7.513 3.599 1.00 0.00 C ATOM 88 CD GLU A 388 -5.362 8.000 5.032 1.00 0.00 C ATOM 89 OE1 GLU A 388 -4.319 8.520 5.476 1.00 0.00 O ATOM 90 OE2 GLU A 388 -6.393 7.857 5.723 1.00 0.00 O ATOM 0 H GLU A 388 -3.516 7.963 1.725 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.705 7.217 4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.684 5.899 2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.596 5.595 4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.130 8.339 2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.402 7.205 3.345 1.00 0.00 H new ATOM 97 N CYS A 389 -2.089 4.962 1.954 1.00 0.00 N ATOM 98 CA CYS A 389 -1.313 3.772 1.650 1.00 0.00 C ATOM 99 C CYS A 389 0.184 4.060 1.733 1.00 0.00 C ATOM 100 O CYS A 389 0.948 3.261 2.265 1.00 0.00 O ATOM 101 CB CYS A 389 -1.677 3.253 0.260 1.00 0.00 C ATOM 102 SG CYS A 389 -3.413 2.727 0.083 1.00 0.00 S ATOM 0 H CYS A 389 -2.609 5.338 1.161 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.551 3.008 2.390 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.470 4.034 -0.472 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.029 2.411 0.019 1.00 0.00 H new ATOM 107 N ASN A 390 0.591 5.228 1.242 1.00 0.00 N ATOM 108 CA ASN A 390 1.997 5.629 1.263 1.00 0.00 C ATOM 109 C ASN A 390 2.526 5.720 2.690 1.00 0.00 C ATOM 110 O ASN A 390 3.711 5.485 2.936 1.00 0.00 O ATOM 111 CB ASN A 390 2.198 6.973 0.558 1.00 0.00 C ATOM 112 CG ASN A 390 2.040 6.900 -0.953 1.00 0.00 C ATOM 113 OD1 ASN A 390 1.893 5.699 -1.501 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 2.081 7.927 -1.633 1.00 0.00 N flip ATOM 0 H ASN A 390 -0.035 5.916 0.823 1.00 0.00 H new ATOM 0 HA ASN A 390 2.557 4.861 0.729 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.482 7.692 0.955 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.193 7.351 0.793 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.195 8.834 -1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.001 7.870 -2.648 1.00 0.00 H new ATOM 121 N LYS A 391 1.648 6.087 3.620 1.00 0.00 N ATOM 122 CA LYS A 391 2.022 6.207 5.027 1.00 0.00 C ATOM 123 C LYS A 391 2.486 4.868 5.590 1.00 0.00 C ATOM 124 O LYS A 391 3.408 4.818 6.406 1.00 0.00 O ATOM 125 CB LYS A 391 0.852 6.739 5.859 1.00 0.00 C ATOM 126 CG LYS A 391 0.532 8.198 5.594 1.00 0.00 C ATOM 127 CD LYS A 391 -0.632 8.677 6.445 1.00 0.00 C ATOM 128 CE LYS A 391 -0.953 10.140 6.178 1.00 0.00 C ATOM 129 NZ LYS A 391 0.217 11.021 6.439 1.00 0.00 N ATOM 0 H LYS A 391 0.671 6.307 3.424 1.00 0.00 H new ATOM 0 HA LYS A 391 2.849 6.915 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 391 -0.033 6.138 5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.082 6.613 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 391 1.411 8.808 5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.293 8.333 4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -1.511 8.067 6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -0.392 8.543 7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -1.273 10.258 5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -1.788 10.449 6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -0.094 12.013 6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 0.643 10.771 7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 0.921 10.896 5.684 1.00 0.00 H new ATOM 143 N ILE A 392 1.862 3.787 5.134 1.00 0.00 N ATOM 144 CA ILE A 392 2.239 2.449 5.569 1.00 0.00 C ATOM 145 C ILE A 392 3.653 2.123 5.096 1.00 0.00 C ATOM 146 O ILE A 392 4.040 2.459 3.973 1.00 0.00 O ATOM 147 CB ILE A 392 1.264 1.369 5.044 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.188 1.725 5.381 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.618 0.008 5.623 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.452 1.894 6.864 1.00 0.00 C ATOM 0 H ILE A 392 1.094 3.812 4.464 1.00 0.00 H new ATOM 0 HA ILE A 392 2.196 2.441 6.658 1.00 0.00 H new ATOM 0 HB ILE A 392 1.361 1.328 3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.454 2.649 4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.842 0.945 4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.923 -0.741 5.244 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.634 -0.259 5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.552 0.047 6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.501 2.145 7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.220 0.964 7.383 1.00 0.00 H new ATOM 0 HD13 ILE A 392 0.175 2.695 7.256 1.00 0.00 H new ATOM 162 N THR A 393 4.432 1.511 5.970 1.00 0.00 N ATOM 163 CA THR A 393 5.814 1.184 5.667 1.00 0.00 C ATOM 164 C THR A 393 6.146 -0.217 6.180 1.00 0.00 C ATOM 165 O THR A 393 7.293 -0.528 6.504 1.00 0.00 O ATOM 166 CB THR A 393 6.774 2.233 6.288 1.00 0.00 C ATOM 167 OG1 THR A 393 8.143 1.899 6.018 1.00 0.00 O ATOM 168 CG2 THR A 393 6.562 2.350 7.790 1.00 0.00 C ATOM 0 H THR A 393 4.128 1.229 6.902 1.00 0.00 H new ATOM 0 HA THR A 393 5.947 1.202 4.585 1.00 0.00 H new ATOM 0 HB THR A 393 6.547 3.194 5.827 1.00 0.00 H new ATOM 0 HG1 THR A 393 8.290 0.947 6.201 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.248 3.092 8.198 1.00 0.00 H new ATOM 0 HG22 THR A 393 5.535 2.657 7.990 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.750 1.385 8.260 1.00 0.00 H new ATOM 176 N GLU A 394 5.129 -1.068 6.214 1.00 0.00 N ATOM 177 CA GLU A 394 5.283 -2.439 6.676 1.00 0.00 C ATOM 178 C GLU A 394 4.423 -3.378 5.841 1.00 0.00 C ATOM 179 O GLU A 394 3.247 -3.097 5.592 1.00 0.00 O ATOM 180 CB GLU A 394 4.880 -2.543 8.147 1.00 0.00 C ATOM 181 CG GLU A 394 5.775 -1.747 9.082 1.00 0.00 C ATOM 182 CD GLU A 394 5.109 -1.454 10.404 1.00 0.00 C ATOM 183 OE1 GLU A 394 4.732 -2.412 11.112 1.00 0.00 O ATOM 184 OE2 GLU A 394 4.948 -0.262 10.738 1.00 0.00 O ATOM 0 H GLU A 394 4.181 -0.829 5.924 1.00 0.00 H new ATOM 0 HA GLU A 394 6.329 -2.727 6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.853 -2.196 8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.897 -3.591 8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.697 -2.301 9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 394 6.054 -0.809 8.603 1.00 0.00 H new ATOM 191 N GLU A 395 5.022 -4.473 5.398 1.00 0.00 N ATOM 192 CA GLU A 395 4.345 -5.459 4.575 1.00 0.00 C ATOM 193 C GLU A 395 3.111 -6.030 5.276 1.00 0.00 C ATOM 194 O GLU A 395 2.032 -6.014 4.697 1.00 0.00 O ATOM 195 CB GLU A 395 5.314 -6.581 4.191 1.00 0.00 C ATOM 196 CG GLU A 395 4.702 -7.652 3.306 1.00 0.00 C ATOM 197 CD GLU A 395 5.684 -8.753 2.971 1.00 0.00 C ATOM 198 OE1 GLU A 395 6.703 -8.470 2.310 1.00 0.00 O ATOM 199 OE2 GLU A 395 5.448 -9.909 3.384 1.00 0.00 O ATOM 0 H GLU A 395 5.995 -4.702 5.601 1.00 0.00 H new ATOM 0 HA GLU A 395 4.003 -4.959 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 395 6.171 -6.146 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.691 -7.048 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.835 -8.082 3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 395 4.343 -7.196 2.383 1.00 0.00 H new ATOM 206 N PRO A 396 3.224 -6.529 6.531 1.00 0.00 N ATOM 207 CA PRO A 396 2.077 -7.101 7.248 1.00 0.00 C ATOM 208 C PRO A 396 0.890 -6.141 7.322 1.00 0.00 C ATOM 209 O PRO A 396 -0.241 -6.517 7.013 1.00 0.00 O ATOM 210 CB PRO A 396 2.624 -7.377 8.649 1.00 0.00 C ATOM 211 CG PRO A 396 4.088 -7.535 8.457 1.00 0.00 C ATOM 212 CD PRO A 396 4.459 -6.599 7.344 1.00 0.00 C ATOM 0 HA PRO A 396 1.693 -7.988 6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.400 -6.556 9.330 1.00 0.00 H new ATOM 0 HB3 PRO A 396 2.181 -8.276 9.077 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.631 -7.291 9.370 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.340 -8.564 8.202 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.747 -5.618 7.723 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.301 -6.977 6.764 1.00 0.00 H new ATOM 220 N LYS A 397 1.156 -4.891 7.683 1.00 0.00 N ATOM 221 CA LYS A 397 0.106 -3.881 7.778 1.00 0.00 C ATOM 222 C LYS A 397 -0.464 -3.533 6.404 1.00 0.00 C ATOM 223 O LYS A 397 -1.676 -3.395 6.246 1.00 0.00 O ATOM 224 CB LYS A 397 0.631 -2.616 8.457 1.00 0.00 C ATOM 225 CG LYS A 397 0.875 -2.778 9.949 1.00 0.00 C ATOM 226 CD LYS A 397 1.241 -1.452 10.596 1.00 0.00 C ATOM 227 CE LYS A 397 1.325 -1.566 12.113 1.00 0.00 C ATOM 228 NZ LYS A 397 2.429 -2.459 12.550 1.00 0.00 N ATOM 0 H LYS A 397 2.089 -4.552 7.915 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.696 -4.304 8.383 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.562 -2.316 7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.083 -1.808 8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -0.019 -3.182 10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.677 -3.498 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.198 -1.108 10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 397 0.499 -0.700 10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 397 1.471 -0.575 12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 397 0.379 -1.945 12.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 2.841 -2.095 13.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 2.058 -3.417 12.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 3.162 -2.490 11.813 1.00 0.00 H new ATOM 242 N CYS A 398 0.414 -3.341 5.427 1.00 0.00 N ATOM 243 CA CYS A 398 -0.011 -2.945 4.085 1.00 0.00 C ATOM 244 C CYS A 398 -0.772 -4.072 3.396 1.00 0.00 C ATOM 245 O CYS A 398 -1.795 -3.839 2.753 1.00 0.00 O ATOM 246 CB CYS A 398 1.195 -2.536 3.240 1.00 0.00 C ATOM 247 SG CYS A 398 0.761 -1.849 1.608 1.00 0.00 S ATOM 0 H CYS A 398 1.422 -3.452 5.536 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.680 -2.090 4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.777 -1.797 3.790 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.837 -3.405 3.097 1.00 0.00 H new ATOM 252 N SER A 399 -0.287 -5.298 3.555 1.00 0.00 N ATOM 253 CA SER A 399 -0.934 -6.461 2.966 1.00 0.00 C ATOM 254 C SER A 399 -2.306 -6.676 3.599 1.00 0.00 C ATOM 255 O SER A 399 -3.285 -6.967 2.908 1.00 0.00 O ATOM 256 CB SER A 399 -0.047 -7.702 3.135 1.00 0.00 C ATOM 257 OG SER A 399 0.236 -7.951 4.501 1.00 0.00 O ATOM 0 H SER A 399 0.555 -5.511 4.089 1.00 0.00 H new ATOM 0 HA SER A 399 -1.076 -6.288 1.899 1.00 0.00 H new ATOM 0 HB2 SER A 399 -0.545 -8.569 2.701 1.00 0.00 H new ATOM 0 HB3 SER A 399 0.885 -7.562 2.588 1.00 0.00 H new ATOM 0 HG SER A 399 1.050 -7.470 4.760 1.00 0.00 H new ATOM 263 N GLU A 400 -2.388 -6.418 4.903 1.00 0.00 N ATOM 264 CA GLU A 400 -3.649 -6.479 5.632 1.00 0.00 C ATOM 265 C GLU A 400 -4.589 -5.361 5.178 1.00 0.00 C ATOM 266 O GLU A 400 -5.811 -5.521 5.194 1.00 0.00 O ATOM 267 CB GLU A 400 -3.387 -6.382 7.139 1.00 0.00 C ATOM 268 CG GLU A 400 -4.646 -6.333 7.993 1.00 0.00 C ATOM 269 CD GLU A 400 -5.469 -7.609 7.938 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.991 -8.617 7.372 1.00 0.00 O ATOM 271 OE2 GLU A 400 -6.593 -7.610 8.479 1.00 0.00 O ATOM 0 H GLU A 400 -1.586 -6.162 5.479 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.130 -7.434 5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.786 -7.238 7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -2.794 -5.489 7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.366 -6.136 9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.265 -5.497 7.666 1.00 0.00 H new ATOM 278 N GLU A 401 -4.012 -4.230 4.779 1.00 0.00 N ATOM 279 CA GLU A 401 -4.795 -3.091 4.322 1.00 0.00 C ATOM 280 C GLU A 401 -5.651 -3.445 3.116 1.00 0.00 C ATOM 281 O GLU A 401 -5.358 -4.383 2.368 1.00 0.00 O ATOM 282 CB GLU A 401 -3.907 -1.892 3.988 1.00 0.00 C ATOM 283 CG GLU A 401 -3.940 -0.800 5.044 1.00 0.00 C ATOM 284 CD GLU A 401 -5.347 -0.508 5.534 1.00 0.00 C ATOM 285 OE1 GLU A 401 -6.270 -0.365 4.698 1.00 0.00 O ATOM 286 OE2 GLU A 401 -5.538 -0.415 6.763 1.00 0.00 O ATOM 0 H GLU A 401 -3.003 -4.080 4.764 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.452 -2.818 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -2.880 -2.234 3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.222 -1.472 3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.319 -1.097 5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -3.505 0.111 4.634 1.00 0.00 H new ATOM 293 N LYS A 402 -6.751 -2.733 2.993 1.00 0.00 N ATOM 294 CA LYS A 402 -7.738 -2.993 1.962 1.00 0.00 C ATOM 295 C LYS A 402 -7.209 -2.637 0.573 1.00 0.00 C ATOM 296 O LYS A 402 -6.794 -3.512 -0.187 1.00 0.00 O ATOM 297 CB LYS A 402 -9.010 -2.198 2.276 1.00 0.00 C ATOM 298 CG LYS A 402 -9.597 -2.518 3.643 1.00 0.00 C ATOM 299 CD LYS A 402 -10.562 -1.439 4.111 1.00 0.00 C ATOM 300 CE LYS A 402 -9.832 -0.156 4.494 1.00 0.00 C ATOM 301 NZ LYS A 402 -8.896 -0.362 5.634 1.00 0.00 N ATOM 0 H LYS A 402 -6.988 -1.954 3.607 1.00 0.00 H new ATOM 0 HA LYS A 402 -7.963 -4.059 1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -8.786 -1.132 2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.757 -2.404 1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.116 -3.476 3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -8.791 -2.624 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -11.281 -1.226 3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.129 -1.804 4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -9.277 0.216 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -10.561 0.610 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -8.931 0.464 6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -9.174 -1.214 6.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -7.928 -0.480 5.272 1.00 0.00 H new ATOM 315 N ILE A 403 -7.286 -1.362 0.220 1.00 0.00 N ATOM 316 CA ILE A 403 -6.938 -0.913 -1.117 1.00 0.00 C ATOM 317 C ILE A 403 -5.497 -0.385 -1.174 1.00 0.00 C ATOM 318 O ILE A 403 -5.113 0.348 -2.092 1.00 0.00 O ATOM 319 CB ILE A 403 -7.963 0.149 -1.587 1.00 0.00 C ATOM 320 CG1 ILE A 403 -7.956 0.288 -3.112 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.704 1.490 -0.916 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.166 1.013 -3.662 1.00 0.00 C ATOM 0 H ILE A 403 -7.589 -0.617 0.847 1.00 0.00 H new ATOM 0 HA ILE A 403 -6.982 -1.761 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 403 -8.955 -0.191 -1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.055 0.821 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -7.904 -0.705 -3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.437 2.218 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.787 1.378 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.702 1.836 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.092 1.073 -4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.071 0.469 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.208 2.019 -3.245 1.00 0.00 H new ATOM 334 N CYS A 404 -4.660 -0.926 -0.306 1.00 0.00 N ATOM 335 CA CYS A 404 -3.231 -0.650 -0.345 1.00 0.00 C ATOM 336 C CYS A 404 -2.476 -1.932 -0.673 1.00 0.00 C ATOM 337 O CYS A 404 -2.844 -3.005 -0.196 1.00 0.00 O ATOM 338 CB CYS A 404 -2.753 -0.091 1.000 1.00 0.00 C ATOM 339 SG CYS A 404 -3.671 1.376 1.576 1.00 0.00 S ATOM 0 H CYS A 404 -4.945 -1.562 0.438 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.036 0.096 -1.116 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -2.833 -0.874 1.754 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.697 0.166 0.918 1.00 0.00 H new ATOM 344 N SER A 405 -1.483 -1.837 -1.546 1.00 0.00 N ATOM 345 CA SER A 405 -0.743 -3.016 -1.981 1.00 0.00 C ATOM 346 C SER A 405 0.745 -2.869 -1.683 1.00 0.00 C ATOM 347 O SER A 405 1.308 -1.781 -1.819 1.00 0.00 O ATOM 348 CB SER A 405 -0.951 -3.242 -3.478 1.00 0.00 C ATOM 349 OG SER A 405 -2.329 -3.246 -3.808 1.00 0.00 O ATOM 0 H SER A 405 -1.171 -0.961 -1.966 1.00 0.00 H new ATOM 0 HA SER A 405 -1.121 -3.876 -1.429 1.00 0.00 H new ATOM 0 HB2 SER A 405 -0.442 -2.460 -4.041 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.501 -4.190 -3.771 1.00 0.00 H new ATOM 0 HG SER A 405 -2.443 -3.547 -4.734 1.00 0.00 H new ATOM 355 N TRP A 406 1.373 -3.962 -1.260 1.00 0.00 N ATOM 356 CA TRP A 406 2.797 -3.950 -0.956 1.00 0.00 C ATOM 357 C TRP A 406 3.623 -4.083 -2.232 1.00 0.00 C ATOM 358 O TRP A 406 3.165 -4.624 -3.239 1.00 0.00 O ATOM 359 CB TRP A 406 3.172 -5.061 0.026 1.00 0.00 C ATOM 360 CG TRP A 406 4.546 -4.879 0.610 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.637 -5.677 0.415 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.977 -3.828 1.488 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.714 -5.184 1.103 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.336 -4.056 1.775 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.349 -2.719 2.055 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.071 -3.217 2.606 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.080 -1.887 2.879 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.428 -2.138 3.146 1.00 0.00 C ATOM 0 H TRP A 406 0.918 -4.864 -1.121 1.00 0.00 H new ATOM 0 HA TRP A 406 3.020 -2.992 -0.486 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.440 -5.090 0.833 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.123 -6.023 -0.484 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.649 -6.569 -0.194 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.648 -5.593 1.112 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.308 -2.515 1.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.112 -3.411 2.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.602 -1.027 3.325 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.973 -1.466 3.792 1.00 0.00 H new ATOM 379 N HIS A 407 4.797 -3.486 -2.200 1.00 0.00 N ATOM 380 CA HIS A 407 5.677 -3.402 -3.347 1.00 0.00 C ATOM 381 C HIS A 407 7.089 -3.769 -2.898 1.00 0.00 C ATOM 382 O HIS A 407 7.827 -2.921 -2.407 1.00 0.00 O ATOM 383 CB HIS A 407 5.634 -1.968 -3.887 1.00 0.00 C ATOM 384 CG HIS A 407 6.197 -1.776 -5.257 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.403 -2.299 -5.659 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.735 -1.051 -6.304 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.659 -1.906 -6.886 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.665 -1.152 -7.308 1.00 0.00 N ATOM 0 H HIS A 407 5.172 -3.039 -1.363 1.00 0.00 H new ATOM 0 HA HIS A 407 5.366 -4.087 -4.136 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.597 -1.631 -3.889 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.177 -1.323 -3.197 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.808 -0.497 -6.341 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.541 -2.160 -7.456 1.00 0.00 H new ATOM 0 HE2 HIS A 407 6.598 -0.716 -8.228 1.00 0.00 H new ATOM 397 N LYS A 408 7.378 -5.060 -2.895 1.00 0.00 N ATOM 398 CA LYS A 408 8.623 -5.573 -2.325 1.00 0.00 C ATOM 399 C LYS A 408 9.861 -5.028 -3.039 1.00 0.00 C ATOM 400 O LYS A 408 10.790 -4.532 -2.398 1.00 0.00 O ATOM 401 CB LYS A 408 8.624 -7.104 -2.367 1.00 0.00 C ATOM 402 CG LYS A 408 7.611 -7.730 -1.423 1.00 0.00 C ATOM 403 CD LYS A 408 7.522 -9.238 -1.596 1.00 0.00 C ATOM 404 CE LYS A 408 6.922 -9.615 -2.942 1.00 0.00 C ATOM 405 NZ LYS A 408 6.603 -11.064 -3.019 1.00 0.00 N ATOM 0 H LYS A 408 6.767 -5.779 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 408 8.671 -5.231 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.414 -7.433 -3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.620 -7.467 -2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.885 -7.499 -0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.631 -7.287 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 408 8.517 -9.674 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 408 6.915 -9.661 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 408 6.015 -9.034 -3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 408 7.621 -9.354 -3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 6.196 -11.281 -3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 7.472 -11.619 -2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 5.917 -11.308 -2.277 1.00 0.00 H new ATOM 419 N GLU A 409 9.894 -5.157 -4.357 1.00 0.00 N ATOM 420 CA GLU A 409 11.050 -4.721 -5.131 1.00 0.00 C ATOM 421 C GLU A 409 10.878 -3.281 -5.604 1.00 0.00 C ATOM 422 O GLU A 409 10.659 -3.021 -6.788 1.00 0.00 O ATOM 423 CB GLU A 409 11.277 -5.649 -6.326 1.00 0.00 C ATOM 424 CG GLU A 409 12.623 -5.454 -7.001 1.00 0.00 C ATOM 425 CD GLU A 409 12.842 -6.411 -8.150 1.00 0.00 C ATOM 426 OE1 GLU A 409 12.774 -7.636 -7.929 1.00 0.00 O ATOM 427 OE2 GLU A 409 13.091 -5.942 -9.280 1.00 0.00 O ATOM 0 H GLU A 409 9.138 -5.558 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 409 11.926 -4.765 -4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.194 -6.683 -5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.486 -5.485 -7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 409 12.697 -4.430 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 409 13.417 -5.587 -6.266 1.00 0.00 H new ATOM 434 N VAL A 410 10.918 -2.350 -4.664 1.00 0.00 N ATOM 435 CA VAL A 410 10.762 -0.938 -4.988 1.00 0.00 C ATOM 436 C VAL A 410 12.026 -0.350 -5.588 1.00 0.00 C ATOM 437 O VAL A 410 13.108 -0.432 -5.000 1.00 0.00 O ATOM 438 CB VAL A 410 10.372 -0.093 -3.762 1.00 0.00 C ATOM 439 CG1 VAL A 410 8.902 -0.255 -3.454 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.210 -0.464 -2.550 1.00 0.00 C ATOM 0 H VAL A 410 11.057 -2.544 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 410 9.956 -0.900 -5.720 1.00 0.00 H new ATOM 0 HB VAL A 410 10.567 0.953 -4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.644 0.349 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.313 0.071 -4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 410 8.688 -1.303 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 410 10.912 0.149 -1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.057 -1.516 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.264 -0.292 -2.770 1.00 0.00 H new ATOM 450 N LYS A 411 11.847 0.380 -6.670 1.00 0.00 N ATOM 451 CA LYS A 411 12.915 1.176 -7.238 1.00 0.00 C ATOM 452 C LYS A 411 13.052 2.451 -6.411 1.00 0.00 C ATOM 453 O LYS A 411 12.061 2.931 -5.860 1.00 0.00 O ATOM 454 CB LYS A 411 12.597 1.499 -8.701 1.00 0.00 C ATOM 455 CG LYS A 411 13.666 2.309 -9.410 1.00 0.00 C ATOM 456 CD LYS A 411 13.265 2.601 -10.847 1.00 0.00 C ATOM 457 CE LYS A 411 14.223 3.572 -11.509 1.00 0.00 C ATOM 458 NZ LYS A 411 14.292 4.862 -10.775 1.00 0.00 N ATOM 0 H LYS A 411 10.964 0.438 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 411 13.857 0.629 -7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.447 0.565 -9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 411 11.655 2.047 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 411 13.831 3.246 -8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 411 14.610 1.764 -9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 411 13.240 1.671 -11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 411 12.256 3.014 -10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 411 15.217 3.127 -11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 411 13.905 3.754 -12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 14.651 5.604 -11.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 13.342 5.122 -10.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 14.931 4.764 -9.961 1.00 0.00 H new ATOM 472 N ALA A 412 14.276 2.914 -6.205 1.00 0.00 N ATOM 473 CA ALA A 412 14.509 4.069 -5.345 1.00 0.00 C ATOM 474 C ALA A 412 13.677 5.267 -5.802 1.00 0.00 C ATOM 475 O ALA A 412 13.747 5.679 -6.961 1.00 0.00 O ATOM 476 CB ALA A 412 15.989 4.426 -5.316 1.00 0.00 C ATOM 0 H ALA A 412 15.118 2.513 -6.617 1.00 0.00 H new ATOM 0 HA ALA A 412 14.198 3.806 -4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 412 16.142 5.290 -4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.560 3.580 -4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 412 16.326 4.664 -6.325 1.00 0.00 H new ATOM 482 N GLY A 413 12.834 5.767 -4.908 1.00 0.00 N ATOM 483 CA GLY A 413 11.959 6.870 -5.250 1.00 0.00 C ATOM 484 C GLY A 413 10.494 6.479 -5.213 1.00 0.00 C ATOM 485 O GLY A 413 9.617 7.338 -5.100 1.00 0.00 O ATOM 0 H GLY A 413 12.741 5.427 -3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 413 12.130 7.694 -4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 413 12.210 7.234 -6.246 1.00 0.00 H new ATOM 489 N GLU A 414 10.227 5.188 -5.372 1.00 0.00 N ATOM 490 CA GLU A 414 8.857 4.681 -5.411 1.00 0.00 C ATOM 491 C GLU A 414 8.250 4.603 -4.007 1.00 0.00 C ATOM 492 O GLU A 414 8.549 5.428 -3.141 1.00 0.00 O ATOM 493 CB GLU A 414 8.836 3.299 -6.071 1.00 0.00 C ATOM 494 CG GLU A 414 9.463 3.279 -7.455 1.00 0.00 C ATOM 495 CD GLU A 414 8.788 4.230 -8.415 1.00 0.00 C ATOM 496 OE1 GLU A 414 7.578 4.056 -8.676 1.00 0.00 O ATOM 497 OE2 GLU A 414 9.460 5.153 -8.916 1.00 0.00 O ATOM 0 H GLU A 414 10.943 4.469 -5.477 1.00 0.00 H new ATOM 0 HA GLU A 414 8.254 5.374 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.364 2.592 -5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.804 2.955 -6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 414 10.519 3.539 -7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 414 9.413 2.267 -7.857 1.00 0.00 H new ATOM 504 N LYS A 415 7.421 3.591 -3.779 1.00 0.00 N ATOM 505 CA LYS A 415 6.787 3.382 -2.484 1.00 0.00 C ATOM 506 C LYS A 415 6.469 1.912 -2.295 1.00 0.00 C ATOM 507 O LYS A 415 5.929 1.271 -3.198 1.00 0.00 O ATOM 508 CB LYS A 415 5.493 4.197 -2.367 1.00 0.00 C ATOM 509 CG LYS A 415 5.662 5.539 -1.674 1.00 0.00 C ATOM 510 CD LYS A 415 6.046 5.368 -0.211 1.00 0.00 C ATOM 511 CE LYS A 415 6.092 6.705 0.508 1.00 0.00 C ATOM 512 NZ LYS A 415 6.443 6.566 1.946 1.00 0.00 N ATOM 0 H LYS A 415 7.171 2.896 -4.483 1.00 0.00 H new ATOM 0 HA LYS A 415 7.481 3.713 -1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 415 5.091 4.365 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.755 3.609 -1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.428 6.120 -2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 415 4.733 6.105 -1.743 1.00 0.00 H new ATOM 0 HD2 LYS A 415 5.328 4.713 0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.019 4.882 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 415 6.821 7.351 0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 415 5.122 7.195 0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 6.709 7.495 2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 5.623 6.197 2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 7.242 5.908 2.046 1.00 0.00 H new ATOM 526 N ASN A 416 6.818 1.370 -1.135 1.00 0.00 N ATOM 527 CA ASN A 416 6.551 -0.032 -0.850 1.00 0.00 C ATOM 528 C ASN A 416 5.056 -0.243 -0.669 1.00 0.00 C ATOM 529 O ASN A 416 4.467 -1.102 -1.297 1.00 0.00 O ATOM 530 CB ASN A 416 7.293 -0.513 0.400 1.00 0.00 C ATOM 531 CG ASN A 416 8.802 -0.543 0.236 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.440 0.492 0.044 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.383 -1.730 0.323 1.00 0.00 N ATOM 0 H ASN A 416 7.283 1.877 -0.382 1.00 0.00 H new ATOM 0 HA ASN A 416 6.912 -0.616 -1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.039 0.139 1.236 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.944 -1.513 0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.396 -1.810 0.230 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.818 -2.564 0.483 1.00 0.00 H new ATOM 540 N CYS A 417 4.417 0.619 0.094 1.00 0.00 N ATOM 541 CA CYS A 417 2.973 0.567 0.196 1.00 0.00 C ATOM 542 C CYS A 417 2.375 1.715 -0.599 1.00 0.00 C ATOM 543 O CYS A 417 2.800 2.863 -0.461 1.00 0.00 O ATOM 544 CB CYS A 417 2.521 0.621 1.654 1.00 0.00 C ATOM 545 SG CYS A 417 0.775 0.157 1.905 1.00 0.00 S ATOM 0 H CYS A 417 4.865 1.352 0.644 1.00 0.00 H new ATOM 0 HA CYS A 417 2.622 -0.379 -0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.152 -0.044 2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.677 1.630 2.035 1.00 0.00 H new ATOM 550 N GLN A 418 1.495 1.388 -1.528 1.00 0.00 N ATOM 551 CA GLN A 418 0.947 2.384 -2.431 1.00 0.00 C ATOM 552 C GLN A 418 -0.486 2.029 -2.800 1.00 0.00 C ATOM 553 O GLN A 418 -0.907 0.875 -2.661 1.00 0.00 O ATOM 554 CB GLN A 418 1.820 2.534 -3.694 1.00 0.00 C ATOM 555 CG GLN A 418 1.598 1.473 -4.772 1.00 0.00 C ATOM 556 CD GLN A 418 2.110 0.091 -4.402 1.00 0.00 C ATOM 557 OE1 GLN A 418 3.039 0.028 -3.467 1.00 0.00 O flip ATOM 558 NE2 GLN A 418 1.712 -0.909 -5.000 1.00 0.00 N flip ATOM 0 H GLN A 418 1.145 0.442 -1.677 1.00 0.00 H new ATOM 0 HA GLN A 418 0.945 3.345 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.634 3.516 -4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.868 2.511 -3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 418 0.531 1.407 -4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.089 1.796 -5.690 1.00 0.00 H new ATOM 0 HE21 GLN A 418 0.992 -0.822 -5.717 1.00 0.00 H new ATOM 0 HE22 GLN A 418 2.102 -1.825 -4.778 1.00 0.00 H new ATOM 567 N PHE A 419 -1.252 3.047 -3.162 1.00 0.00 N ATOM 568 CA PHE A 419 -2.665 2.886 -3.476 1.00 0.00 C ATOM 569 C PHE A 419 -2.857 2.070 -4.749 1.00 0.00 C ATOM 570 O PHE A 419 -2.403 2.472 -5.820 1.00 0.00 O ATOM 571 CB PHE A 419 -3.301 4.265 -3.660 1.00 0.00 C ATOM 572 CG PHE A 419 -4.754 4.226 -4.030 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.672 3.644 -3.183 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.197 4.785 -5.218 1.00 0.00 C ATOM 575 CE1 PHE A 419 -7.013 3.611 -3.515 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.534 4.757 -5.557 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.446 4.169 -4.703 1.00 0.00 C ATOM 0 H PHE A 419 -0.914 4.006 -3.246 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.142 2.355 -2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.188 4.831 -2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.755 4.805 -4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.340 3.210 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.487 5.248 -5.887 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.723 3.149 -2.846 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.866 5.194 -6.487 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.494 4.145 -4.963 1.00 0.00 H new ATOM 587 N ASN A 420 -3.659 1.019 -4.667 1.00 0.00 N ATOM 588 CA ASN A 420 -4.060 0.312 -5.862 1.00 0.00 C ATOM 589 C ASN A 420 -5.403 0.858 -6.314 1.00 0.00 C ATOM 590 O ASN A 420 -6.296 1.069 -5.499 1.00 0.00 O ATOM 591 CB ASN A 420 -4.103 -1.211 -5.632 1.00 0.00 C ATOM 592 CG ASN A 420 -5.266 -1.712 -4.782 1.00 0.00 C ATOM 593 OD1 ASN A 420 -6.435 -1.583 -5.146 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.948 -2.338 -3.664 1.00 0.00 N ATOM 0 H ASN A 420 -4.037 0.645 -3.797 1.00 0.00 H new ATOM 0 HA ASN A 420 -3.324 0.474 -6.649 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -4.144 -1.707 -6.602 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.170 -1.516 -5.157 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.681 -2.732 -3.074 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -3.969 -2.428 -3.390 1.00 0.00 H new ATOM 601 N SER A 421 -5.490 1.278 -7.559 1.00 0.00 N ATOM 602 CA SER A 421 -6.694 1.937 -8.021 1.00 0.00 C ATOM 603 C SER A 421 -7.678 0.917 -8.577 1.00 0.00 C ATOM 604 O SER A 421 -7.435 0.308 -9.625 1.00 0.00 O ATOM 605 CB SER A 421 -6.358 3.002 -9.066 1.00 0.00 C ATOM 606 OG SER A 421 -7.503 3.776 -9.391 1.00 0.00 O ATOM 0 H SER A 421 -4.755 1.178 -8.259 1.00 0.00 H new ATOM 0 HA SER A 421 -7.164 2.435 -7.173 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.570 3.653 -8.686 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.971 2.524 -9.966 1.00 0.00 H new ATOM 0 HG SER A 421 -7.263 4.451 -10.060 1.00 0.00 H new ATOM 612 N THR A 422 -8.796 0.760 -7.870 1.00 0.00 N ATOM 613 CA THR A 422 -9.870 -0.130 -8.289 1.00 0.00 C ATOM 614 C THR A 422 -9.356 -1.560 -8.501 1.00 0.00 C ATOM 615 O THR A 422 -9.540 -2.160 -9.562 1.00 0.00 O ATOM 616 CB THR A 422 -10.551 0.408 -9.569 1.00 0.00 C ATOM 617 OG1 THR A 422 -10.736 1.829 -9.449 1.00 0.00 O ATOM 618 CG2 THR A 422 -11.902 -0.254 -9.798 1.00 0.00 C ATOM 0 H THR A 422 -8.980 1.247 -6.993 1.00 0.00 H new ATOM 0 HA THR A 422 -10.613 -0.162 -7.492 1.00 0.00 H new ATOM 0 HB THR A 422 -9.908 0.179 -10.419 1.00 0.00 H new ATOM 0 HG1 THR A 422 -11.166 2.173 -10.260 1.00 0.00 H new ATOM 0 HG21 THR A 422 -12.354 0.146 -10.705 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.766 -1.330 -9.904 1.00 0.00 H new ATOM 0 HG23 THR A 422 -12.554 -0.053 -8.948 1.00 0.00 H new ATOM 626 N LYS A 423 -8.648 -2.073 -7.503 1.00 0.00 N ATOM 627 CA LYS A 423 -8.060 -3.403 -7.582 1.00 0.00 C ATOM 628 C LYS A 423 -8.438 -4.235 -6.357 1.00 0.00 C ATOM 629 O LYS A 423 -8.681 -5.440 -6.462 1.00 0.00 O ATOM 630 CB LYS A 423 -6.536 -3.300 -7.690 1.00 0.00 C ATOM 631 CG LYS A 423 -5.846 -4.632 -7.929 1.00 0.00 C ATOM 632 CD LYS A 423 -6.182 -5.208 -9.294 1.00 0.00 C ATOM 633 CE LYS A 423 -5.542 -6.571 -9.494 1.00 0.00 C ATOM 634 NZ LYS A 423 -4.066 -6.530 -9.307 1.00 0.00 N ATOM 0 H LYS A 423 -8.467 -1.585 -6.626 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.450 -3.897 -8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -6.284 -2.620 -8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -6.145 -2.859 -6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -4.767 -4.502 -7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -6.143 -5.339 -7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -7.264 -5.294 -9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -5.840 -4.526 -10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -5.976 -7.282 -8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -5.770 -6.934 -10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -3.648 -7.420 -9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -3.670 -5.733 -9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -3.847 -6.408 -8.298 1.00 0.00 H new ATOM 648 N ALA A 424 -8.426 -3.591 -5.194 1.00 0.00 N ATOM 649 CA ALA A 424 -8.730 -4.255 -3.929 1.00 0.00 C ATOM 650 C ALA A 424 -10.128 -4.855 -3.936 1.00 0.00 C ATOM 651 O ALA A 424 -11.053 -4.300 -4.537 1.00 0.00 O ATOM 652 CB ALA A 424 -8.599 -3.277 -2.774 1.00 0.00 C ATOM 0 H ALA A 424 -8.207 -2.599 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.012 -5.065 -3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -8.829 -3.786 -1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -7.580 -2.892 -2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -9.294 -2.450 -2.917 1.00 0.00 H new ATOM 658 N SER A 425 -10.283 -5.971 -3.244 1.00 0.00 N ATOM 659 CA SER A 425 -11.579 -6.614 -3.120 1.00 0.00 C ATOM 660 C SER A 425 -12.496 -5.764 -2.244 1.00 0.00 C ATOM 661 O SER A 425 -12.081 -5.286 -1.184 1.00 0.00 O ATOM 662 CB SER A 425 -11.407 -8.010 -2.523 1.00 0.00 C ATOM 663 OG SER A 425 -10.456 -8.769 -3.264 1.00 0.00 O ATOM 0 H SER A 425 -9.525 -6.451 -2.759 1.00 0.00 H new ATOM 0 HA SER A 425 -12.033 -6.710 -4.106 1.00 0.00 H new ATOM 0 HB2 SER A 425 -11.083 -7.928 -1.485 1.00 0.00 H new ATOM 0 HB3 SER A 425 -12.366 -8.528 -2.518 1.00 0.00 H new ATOM 0 HG SER A 425 -10.362 -9.658 -2.862 1.00 0.00 H new ATOM 669 N LYS A 426 -13.686 -5.471 -2.748 1.00 0.00 N ATOM 670 CA LYS A 426 -14.605 -4.583 -2.052 1.00 0.00 C ATOM 671 C LYS A 426 -15.153 -5.250 -0.794 1.00 0.00 C ATOM 672 O LYS A 426 -15.069 -4.688 0.299 1.00 0.00 O ATOM 673 CB LYS A 426 -15.748 -4.162 -2.986 1.00 0.00 C ATOM 674 CG LYS A 426 -16.710 -3.152 -2.374 1.00 0.00 C ATOM 675 CD LYS A 426 -15.984 -1.916 -1.857 1.00 0.00 C ATOM 676 CE LYS A 426 -15.287 -1.151 -2.974 1.00 0.00 C ATOM 677 NZ LYS A 426 -16.252 -0.482 -3.886 1.00 0.00 N ATOM 0 H LYS A 426 -14.037 -5.834 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 426 -14.059 -3.690 -1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -15.322 -3.738 -3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -16.308 -5.049 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -17.447 -2.855 -3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -17.256 -3.621 -1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -16.697 -1.259 -1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -15.249 -2.214 -1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -14.622 -0.404 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -14.664 -1.837 -3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -15.732 0.067 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -16.836 -1.200 -4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -16.864 0.155 -3.337 1.00 0.00 H new ATOM 691 N SER A 427 -15.658 -6.468 -0.947 1.00 0.00 N ATOM 692 CA SER A 427 -16.184 -7.242 0.174 1.00 0.00 C ATOM 693 C SER A 427 -16.311 -8.709 -0.222 1.00 0.00 C ATOM 694 O SER A 427 -15.701 -9.103 -1.238 1.00 0.00 O ATOM 695 CB SER A 427 -17.552 -6.703 0.619 1.00 0.00 C ATOM 696 OG SER A 427 -17.458 -5.366 1.085 1.00 0.00 O ATOM 697 OXT SER A 427 -17.033 -9.462 0.464 1.00 0.00 O ATOM 0 H SER A 427 -15.715 -6.946 -1.846 1.00 0.00 H new ATOM 0 HA SER A 427 -15.489 -7.150 1.009 1.00 0.00 H new ATOM 0 HB2 SER A 427 -18.252 -6.750 -0.215 1.00 0.00 H new ATOM 0 HB3 SER A 427 -17.955 -7.337 1.409 1.00 0.00 H new ATOM 0 HG SER A 427 -16.515 -5.120 1.185 1.00 0.00 H new TER 703 SER A 427