USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=16 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 405 SER OG : rot -175:sc= 0.222 USER MOD Set 1.2: A 420 ASN : amide:sc= 0.799 K(o=1,f=-2.8!) USER MOD Single : A 383 LYS NZ :NH3+ -168:sc= -0.018 (180deg=-0.161) USER MOD Single : A 384 SER OG : rot 180:sc= -0.068 USER MOD Single : A 390 ASN : amide:sc= -1.97! K(o=-2!,f=-0.07) USER MOD Single : A 391 LYS NZ :NH3+ -166:sc= -0.0176 (180deg=-0.197) USER MOD Single : A 393 THR OG1 : rot -39:sc= 0.976 USER MOD Single : A 397 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.2) USER MOD Single : A 399 SER OG : rot -83:sc= 0.879 USER MOD Single : A 402 LYS NZ :NH3+ 149:sc= -1.29 (180deg=-2.8!) USER MOD Single : A 407 HIS : no HD1:sc= -1.82 K(o=-0.54,f=-8.7!) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 LYS NZ :NH3+ 166:sc=-0.00202 (180deg=-0.137) USER MOD Single : A 415 LYS NZ :NH3+ 173:sc=-0.00805 (180deg=-0.104) USER MOD Single : A 416 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.76) USER MOD Single : A 418 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.4) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 52:sc= 0.035 USER MOD Single : A 423 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00734) USER MOD Single : A 425 SER OG : rot -128:sc= 1.26 USER MOD Single : A 426 LYS NZ :NH3+ -170:sc=-0.00115 (180deg=-0.0948) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -6.773 17.655 1.642 1.00 0.00 N ATOM 2 CA GLY A 382 -8.000 16.834 1.741 1.00 0.00 C ATOM 3 C GLY A 382 -7.706 15.430 2.211 1.00 0.00 C ATOM 4 O GLY A 382 -6.882 15.226 3.104 1.00 0.00 O ATOM 0 HA2 GLY A 382 -8.698 17.308 2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -8.490 16.795 0.768 1.00 0.00 H new ATOM 10 N LYS A 383 -8.313 14.454 1.558 1.00 0.00 N ATOM 11 CA LYS A 383 -8.080 13.060 1.887 1.00 0.00 C ATOM 12 C LYS A 383 -8.129 12.198 0.633 1.00 0.00 C ATOM 13 O LYS A 383 -8.988 12.380 -0.232 1.00 0.00 O ATOM 14 CB LYS A 383 -9.092 12.551 2.930 1.00 0.00 C ATOM 15 CG LYS A 383 -10.556 12.659 2.514 1.00 0.00 C ATOM 16 CD LYS A 383 -11.132 14.047 2.767 1.00 0.00 C ATOM 17 CE LYS A 383 -11.170 14.383 4.254 1.00 0.00 C ATOM 18 NZ LYS A 383 -12.051 13.457 5.018 1.00 0.00 N ATOM 0 H LYS A 383 -8.973 14.603 0.795 1.00 0.00 H new ATOM 0 HA LYS A 383 -7.084 12.985 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.869 11.507 3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -8.950 13.110 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.648 12.418 1.455 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -11.142 11.920 3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -10.532 14.790 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.140 14.102 2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.160 14.339 4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.521 15.406 4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.209 13.837 5.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.963 13.362 4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.597 12.524 5.088 1.00 0.00 H new ATOM 32 N SER A 384 -7.172 11.296 0.511 1.00 0.00 N ATOM 33 CA SER A 384 -7.074 10.425 -0.647 1.00 0.00 C ATOM 34 C SER A 384 -6.415 9.106 -0.252 1.00 0.00 C ATOM 35 O SER A 384 -5.428 9.100 0.488 1.00 0.00 O ATOM 36 CB SER A 384 -6.270 11.112 -1.759 1.00 0.00 C ATOM 37 OG SER A 384 -6.827 12.376 -2.084 1.00 0.00 O ATOM 0 H SER A 384 -6.443 11.147 1.209 1.00 0.00 H new ATOM 0 HA SER A 384 -8.077 10.218 -1.021 1.00 0.00 H new ATOM 0 HB2 SER A 384 -5.235 11.238 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 384 -6.255 10.479 -2.646 1.00 0.00 H new ATOM 0 HG SER A 384 -6.296 12.795 -2.794 1.00 0.00 H new ATOM 43 N PRO A 385 -7.004 7.975 -0.672 1.00 0.00 N ATOM 44 CA PRO A 385 -6.521 6.637 -0.317 1.00 0.00 C ATOM 45 C PRO A 385 -5.056 6.413 -0.694 1.00 0.00 C ATOM 46 O PRO A 385 -4.346 5.661 -0.031 1.00 0.00 O ATOM 47 CB PRO A 385 -7.439 5.687 -1.096 1.00 0.00 C ATOM 48 CG PRO A 385 -8.158 6.542 -2.085 1.00 0.00 C ATOM 49 CD PRO A 385 -8.231 7.908 -1.474 1.00 0.00 C ATOM 0 HA PRO A 385 -6.553 6.478 0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.863 4.909 -1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -8.140 5.185 -0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -7.627 6.568 -3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -9.155 6.151 -2.287 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -8.260 8.689 -2.234 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -9.123 8.028 -0.859 1.00 0.00 H new ATOM 57 N GLU A 386 -4.592 7.095 -1.733 1.00 0.00 N ATOM 58 CA GLU A 386 -3.193 6.999 -2.128 1.00 0.00 C ATOM 59 C GLU A 386 -2.291 7.462 -0.988 1.00 0.00 C ATOM 60 O GLU A 386 -1.357 6.761 -0.595 1.00 0.00 O ATOM 61 CB GLU A 386 -2.929 7.838 -3.377 1.00 0.00 C ATOM 62 CG GLU A 386 -1.504 7.730 -3.898 1.00 0.00 C ATOM 63 CD GLU A 386 -1.299 8.502 -5.179 1.00 0.00 C ATOM 64 OE1 GLU A 386 -2.021 8.235 -6.161 1.00 0.00 O ATOM 65 OE2 GLU A 386 -0.417 9.385 -5.216 1.00 0.00 O ATOM 0 H GLU A 386 -5.158 7.715 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.970 5.957 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -3.618 7.529 -4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -3.147 8.883 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.814 8.100 -3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -1.260 6.681 -4.066 1.00 0.00 H new ATOM 72 N ALA A 387 -2.634 8.611 -0.416 1.00 0.00 N ATOM 73 CA ALA A 387 -1.886 9.180 0.697 1.00 0.00 C ATOM 74 C ALA A 387 -1.892 8.262 1.917 1.00 0.00 C ATOM 75 O ALA A 387 -0.873 8.125 2.597 1.00 0.00 O ATOM 76 CB ALA A 387 -2.451 10.547 1.062 1.00 0.00 C ATOM 0 H ALA A 387 -3.434 9.171 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.850 9.290 0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.885 10.964 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -2.376 11.213 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -3.497 10.443 1.350 1.00 0.00 H new ATOM 82 N GLU A 388 -3.049 7.674 2.223 1.00 0.00 N ATOM 83 CA GLU A 388 -3.170 6.828 3.407 1.00 0.00 C ATOM 84 C GLU A 388 -2.331 5.557 3.259 1.00 0.00 C ATOM 85 O GLU A 388 -1.571 5.205 4.159 1.00 0.00 O ATOM 86 CB GLU A 388 -4.645 6.498 3.712 1.00 0.00 C ATOM 87 CG GLU A 388 -5.307 5.534 2.741 1.00 0.00 C ATOM 88 CD GLU A 388 -6.801 5.397 2.971 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.537 6.388 2.779 1.00 0.00 O ATOM 90 OE2 GLU A 388 -7.253 4.297 3.347 1.00 0.00 O ATOM 0 H GLU A 388 -3.904 7.767 1.675 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.780 7.386 4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.706 6.077 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.214 7.428 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.131 5.876 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.839 4.554 2.834 1.00 0.00 H new ATOM 97 N CYS A 389 -2.401 4.924 2.091 1.00 0.00 N ATOM 98 CA CYS A 389 -1.600 3.740 1.814 1.00 0.00 C ATOM 99 C CYS A 389 -0.101 4.049 1.872 1.00 0.00 C ATOM 100 O CYS A 389 0.683 3.252 2.375 1.00 0.00 O ATOM 101 CB CYS A 389 -1.961 3.167 0.445 1.00 0.00 C ATOM 102 SG CYS A 389 -3.672 2.554 0.314 1.00 0.00 S ATOM 0 H CYS A 389 -3.005 5.213 1.322 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.822 3.002 2.585 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.805 3.937 -0.310 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.277 2.351 0.214 1.00 0.00 H new ATOM 107 N ASN A 390 0.292 5.207 1.350 1.00 0.00 N ATOM 108 CA ASN A 390 1.707 5.597 1.304 1.00 0.00 C ATOM 109 C ASN A 390 2.334 5.664 2.697 1.00 0.00 C ATOM 110 O ASN A 390 3.545 5.505 2.842 1.00 0.00 O ATOM 111 CB ASN A 390 1.879 6.947 0.599 1.00 0.00 C ATOM 112 CG ASN A 390 1.667 6.873 -0.905 1.00 0.00 C ATOM 113 OD1 ASN A 390 1.634 7.898 -1.586 1.00 0.00 O ATOM 114 ND2 ASN A 390 1.554 5.667 -1.443 1.00 0.00 N ATOM 0 H ASN A 390 -0.346 5.896 0.951 1.00 0.00 H new ATOM 0 HA ASN A 390 2.225 4.823 0.738 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.175 7.663 1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 390 2.880 7.328 0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 390 1.435 5.567 -2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 390 1.586 4.839 -0.849 1.00 0.00 H new ATOM 121 N LYS A 391 1.519 5.929 3.712 1.00 0.00 N ATOM 122 CA LYS A 391 2.013 6.038 5.084 1.00 0.00 C ATOM 123 C LYS A 391 2.560 4.703 5.588 1.00 0.00 C ATOM 124 O LYS A 391 3.559 4.659 6.310 1.00 0.00 O ATOM 125 CB LYS A 391 0.903 6.514 6.020 1.00 0.00 C ATOM 126 CG LYS A 391 0.406 7.918 5.724 1.00 0.00 C ATOM 127 CD LYS A 391 -0.701 8.327 6.681 1.00 0.00 C ATOM 128 CE LYS A 391 -1.170 9.749 6.423 1.00 0.00 C ATOM 129 NZ LYS A 391 -0.094 10.745 6.672 1.00 0.00 N ATOM 0 H LYS A 391 0.514 6.073 3.613 1.00 0.00 H new ATOM 0 HA LYS A 391 2.823 6.768 5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 391 0.064 5.821 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.267 6.477 7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 391 1.234 8.623 5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.039 7.967 4.699 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -1.543 7.642 6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -0.344 8.242 7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -1.513 9.836 5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -2.024 9.971 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -0.507 11.698 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 0.378 10.529 7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 0.601 10.706 5.899 1.00 0.00 H new ATOM 143 N ILE A 392 1.863 3.628 5.244 1.00 0.00 N ATOM 144 CA ILE A 392 2.224 2.288 5.695 1.00 0.00 C ATOM 145 C ILE A 392 3.608 1.894 5.174 1.00 0.00 C ATOM 146 O ILE A 392 3.989 2.262 4.063 1.00 0.00 O ATOM 147 CB ILE A 392 1.179 1.248 5.228 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.243 1.727 5.552 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.442 -0.106 5.871 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.505 1.933 7.030 1.00 0.00 C ATOM 0 H ILE A 392 1.036 3.658 4.648 1.00 0.00 H new ATOM 0 HA ILE A 392 2.245 2.301 6.785 1.00 0.00 H new ATOM 0 HB ILE A 392 1.269 1.138 4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.427 2.664 5.027 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.957 1.000 5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.695 -0.823 5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.436 -0.455 5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.384 -0.011 6.955 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.531 2.271 7.174 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.355 0.993 7.561 1.00 0.00 H new ATOM 0 HD13 ILE A 392 0.182 2.683 7.420 1.00 0.00 H new ATOM 162 N THR A 393 4.386 1.210 6.003 1.00 0.00 N ATOM 163 CA THR A 393 5.752 0.857 5.647 1.00 0.00 C ATOM 164 C THR A 393 6.077 -0.585 6.054 1.00 0.00 C ATOM 165 O THR A 393 7.244 -0.962 6.178 1.00 0.00 O ATOM 166 CB THR A 393 6.755 1.840 6.302 1.00 0.00 C ATOM 167 OG1 THR A 393 8.101 1.540 5.901 1.00 0.00 O ATOM 168 CG2 THR A 393 6.647 1.796 7.822 1.00 0.00 C ATOM 0 H THR A 393 4.094 0.889 6.926 1.00 0.00 H new ATOM 0 HA THR A 393 5.844 0.931 4.563 1.00 0.00 H new ATOM 0 HB THR A 393 6.503 2.844 5.962 1.00 0.00 H new ATOM 0 HG1 THR A 393 8.220 0.568 5.857 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.361 2.495 8.258 1.00 0.00 H new ATOM 0 HG22 THR A 393 5.637 2.074 8.123 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.865 0.788 8.173 1.00 0.00 H new ATOM 176 N GLU A 394 5.040 -1.415 6.121 1.00 0.00 N ATOM 177 CA GLU A 394 5.197 -2.841 6.400 1.00 0.00 C ATOM 178 C GLU A 394 4.311 -3.654 5.462 1.00 0.00 C ATOM 179 O GLU A 394 3.134 -3.339 5.302 1.00 0.00 O ATOM 180 CB GLU A 394 4.817 -3.147 7.854 1.00 0.00 C ATOM 181 CG GLU A 394 5.798 -2.612 8.887 1.00 0.00 C ATOM 182 CD GLU A 394 7.087 -3.409 8.942 1.00 0.00 C ATOM 183 OE1 GLU A 394 7.827 -3.437 7.940 1.00 0.00 O ATOM 184 OE2 GLU A 394 7.362 -4.025 9.992 1.00 0.00 O ATOM 0 H GLU A 394 4.073 -1.122 5.985 1.00 0.00 H new ATOM 0 HA GLU A 394 6.241 -3.112 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.832 -2.727 8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.734 -4.227 7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.029 -1.572 8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.326 -2.624 9.870 1.00 0.00 H new ATOM 191 N GLU A 395 4.879 -4.687 4.835 1.00 0.00 N ATOM 192 CA GLU A 395 4.132 -5.532 3.914 1.00 0.00 C ATOM 193 C GLU A 395 2.929 -6.191 4.599 1.00 0.00 C ATOM 194 O GLU A 395 1.808 -6.067 4.109 1.00 0.00 O ATOM 195 CB GLU A 395 5.038 -6.604 3.289 1.00 0.00 C ATOM 196 CG GLU A 395 4.291 -7.561 2.369 1.00 0.00 C ATOM 197 CD GLU A 395 5.150 -8.702 1.863 1.00 0.00 C ATOM 198 OE1 GLU A 395 6.351 -8.750 2.194 1.00 0.00 O ATOM 199 OE2 GLU A 395 4.620 -9.566 1.137 1.00 0.00 O ATOM 0 H GLU A 395 5.856 -4.955 4.952 1.00 0.00 H new ATOM 0 HA GLU A 395 3.757 -4.886 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.833 -6.115 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.516 -7.175 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.433 -7.971 2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.901 -7.004 1.517 1.00 0.00 H new ATOM 206 N PRO A 396 3.122 -6.901 5.738 1.00 0.00 N ATOM 207 CA PRO A 396 2.017 -7.568 6.438 1.00 0.00 C ATOM 208 C PRO A 396 0.879 -6.608 6.768 1.00 0.00 C ATOM 209 O PRO A 396 -0.288 -6.925 6.560 1.00 0.00 O ATOM 210 CB PRO A 396 2.665 -8.098 7.720 1.00 0.00 C ATOM 211 CG PRO A 396 4.106 -8.244 7.383 1.00 0.00 C ATOM 212 CD PRO A 396 4.414 -7.132 6.423 1.00 0.00 C ATOM 0 HA PRO A 396 1.563 -8.348 5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.521 -7.408 8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 396 2.230 -9.052 8.019 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.726 -8.173 8.277 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.306 -9.216 6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.759 -6.238 6.942 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.197 -7.414 5.719 1.00 0.00 H new ATOM 220 N LYS A 397 1.227 -5.415 7.229 1.00 0.00 N ATOM 221 CA LYS A 397 0.226 -4.408 7.558 1.00 0.00 C ATOM 222 C LYS A 397 -0.415 -3.823 6.302 1.00 0.00 C ATOM 223 O LYS A 397 -1.634 -3.695 6.227 1.00 0.00 O ATOM 224 CB LYS A 397 0.839 -3.288 8.402 1.00 0.00 C ATOM 225 CG LYS A 397 1.301 -3.736 9.782 1.00 0.00 C ATOM 226 CD LYS A 397 0.225 -4.529 10.517 1.00 0.00 C ATOM 227 CE LYS A 397 -1.061 -3.730 10.677 1.00 0.00 C ATOM 228 NZ LYS A 397 -2.165 -4.565 11.214 1.00 0.00 N ATOM 0 H LYS A 397 2.191 -5.121 7.384 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.553 -4.903 8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.688 -2.865 7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 397 0.105 -2.490 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 397 2.198 -4.348 9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.575 -2.862 10.374 1.00 0.00 H new ATOM 0 HD2 LYS A 397 0.015 -5.449 9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 397 0.596 -4.820 11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -0.885 -2.887 11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -1.354 -3.316 9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -2.987 -3.962 11.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -2.430 -5.284 10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -1.852 -5.034 12.088 1.00 0.00 H new ATOM 242 N CYS A 398 0.414 -3.451 5.333 1.00 0.00 N ATOM 243 CA CYS A 398 -0.063 -2.835 4.095 1.00 0.00 C ATOM 244 C CYS A 398 -0.989 -3.771 3.337 1.00 0.00 C ATOM 245 O CYS A 398 -2.010 -3.351 2.799 1.00 0.00 O ATOM 246 CB CYS A 398 1.124 -2.453 3.209 1.00 0.00 C ATOM 247 SG CYS A 398 0.669 -1.630 1.649 1.00 0.00 S ATOM 0 H CYS A 398 1.427 -3.565 5.380 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.624 -1.938 4.359 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.785 -1.795 3.773 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.693 -3.354 2.977 1.00 0.00 H new ATOM 252 N SER A 399 -0.615 -5.040 3.292 1.00 0.00 N ATOM 253 CA SER A 399 -1.393 -6.047 2.595 1.00 0.00 C ATOM 254 C SER A 399 -2.779 -6.198 3.234 1.00 0.00 C ATOM 255 O SER A 399 -3.779 -6.390 2.539 1.00 0.00 O ATOM 256 CB SER A 399 -0.625 -7.373 2.599 1.00 0.00 C ATOM 257 OG SER A 399 -0.356 -7.804 3.920 1.00 0.00 O ATOM 0 H SER A 399 0.231 -5.397 3.735 1.00 0.00 H new ATOM 0 HA SER A 399 -1.547 -5.737 1.561 1.00 0.00 H new ATOM 0 HB2 SER A 399 -1.205 -8.134 2.076 1.00 0.00 H new ATOM 0 HB3 SER A 399 0.312 -7.256 2.054 1.00 0.00 H new ATOM 0 HG SER A 399 0.450 -7.357 4.252 1.00 0.00 H new ATOM 263 N GLU A 400 -2.831 -6.046 4.556 1.00 0.00 N ATOM 264 CA GLU A 400 -4.090 -6.092 5.297 1.00 0.00 C ATOM 265 C GLU A 400 -4.930 -4.844 5.038 1.00 0.00 C ATOM 266 O GLU A 400 -6.161 -4.908 5.029 1.00 0.00 O ATOM 267 CB GLU A 400 -3.823 -6.212 6.796 1.00 0.00 C ATOM 268 CG GLU A 400 -3.231 -7.546 7.212 1.00 0.00 C ATOM 269 CD GLU A 400 -2.803 -7.560 8.664 1.00 0.00 C ATOM 270 OE1 GLU A 400 -2.871 -6.503 9.325 1.00 0.00 O ATOM 271 OE2 GLU A 400 -2.383 -8.629 9.152 1.00 0.00 O ATOM 0 H GLU A 400 -2.009 -5.889 5.139 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.641 -6.966 4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.144 -5.415 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.758 -6.057 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.965 -8.334 7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.372 -7.772 6.581 1.00 0.00 H new ATOM 278 N GLU A 401 -4.256 -3.703 4.927 1.00 0.00 N ATOM 279 CA GLU A 401 -4.926 -2.414 4.765 1.00 0.00 C ATOM 280 C GLU A 401 -5.878 -2.410 3.581 1.00 0.00 C ATOM 281 O GLU A 401 -5.605 -3.003 2.533 1.00 0.00 O ATOM 282 CB GLU A 401 -3.907 -1.287 4.605 1.00 0.00 C ATOM 283 CG GLU A 401 -3.146 -0.971 5.879 1.00 0.00 C ATOM 284 CD GLU A 401 -4.048 -0.485 6.999 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.169 -0.008 6.713 1.00 0.00 O ATOM 286 OE2 GLU A 401 -3.634 -0.560 8.174 1.00 0.00 O ATOM 0 H GLU A 401 -3.238 -3.644 4.946 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.510 -2.248 5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.196 -1.559 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.422 -0.388 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.613 -1.863 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.394 -0.210 5.668 1.00 0.00 H new ATOM 293 N LYS A 402 -7.010 -1.758 3.782 1.00 0.00 N ATOM 294 CA LYS A 402 -8.046 -1.678 2.770 1.00 0.00 C ATOM 295 C LYS A 402 -7.565 -0.896 1.556 1.00 0.00 C ATOM 296 O LYS A 402 -7.135 0.250 1.681 1.00 0.00 O ATOM 297 CB LYS A 402 -9.298 -1.029 3.359 1.00 0.00 C ATOM 298 CG LYS A 402 -9.961 -1.872 4.438 1.00 0.00 C ATOM 299 CD LYS A 402 -11.119 -1.144 5.106 1.00 0.00 C ATOM 300 CE LYS A 402 -10.652 -0.210 6.214 1.00 0.00 C ATOM 301 NZ LYS A 402 -9.911 0.970 5.696 1.00 0.00 N ATOM 0 H LYS A 402 -7.235 -1.271 4.649 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.288 -2.689 2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.033 -0.058 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -10.015 -0.846 2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.323 -2.802 3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -9.221 -2.142 5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -11.666 -0.571 4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.815 -1.874 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -11.516 0.131 6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -10.012 -0.762 6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -10.067 1.782 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -8.895 0.752 5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -10.252 1.202 4.741 1.00 0.00 H new ATOM 315 N ILE A 403 -7.664 -1.540 0.395 1.00 0.00 N ATOM 316 CA ILE A 403 -7.294 -0.971 -0.908 1.00 0.00 C ATOM 317 C ILE A 403 -5.845 -0.450 -0.945 1.00 0.00 C ATOM 318 O ILE A 403 -5.445 0.256 -1.877 1.00 0.00 O ATOM 319 CB ILE A 403 -8.314 0.112 -1.365 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.404 0.143 -2.893 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.965 1.496 -0.828 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.567 0.963 -3.416 1.00 0.00 C ATOM 0 H ILE A 403 -8.012 -2.496 0.328 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.336 -1.789 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.285 -0.161 -0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.475 0.548 -3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.494 -0.878 -3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.705 2.218 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.962 1.473 0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.978 1.788 -1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.568 0.940 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.503 0.546 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.468 1.994 -3.075 1.00 0.00 H new ATOM 334 N CYS A 404 -5.010 -1.006 -0.078 1.00 0.00 N ATOM 335 CA CYS A 404 -3.581 -0.755 -0.137 1.00 0.00 C ATOM 336 C CYS A 404 -2.849 -2.019 -0.573 1.00 0.00 C ATOM 337 O CYS A 404 -3.254 -3.132 -0.227 1.00 0.00 O ATOM 338 CB CYS A 404 -3.056 -0.289 1.223 1.00 0.00 C ATOM 339 SG CYS A 404 -3.830 1.241 1.854 1.00 0.00 S ATOM 0 H CYS A 404 -5.299 -1.633 0.673 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.399 0.035 -0.865 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.212 -1.086 1.950 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.980 -0.132 1.148 1.00 0.00 H new ATOM 344 N SER A 405 -1.797 -1.851 -1.359 1.00 0.00 N ATOM 345 CA SER A 405 -1.020 -2.979 -1.842 1.00 0.00 C ATOM 346 C SER A 405 0.470 -2.704 -1.707 1.00 0.00 C ATOM 347 O SER A 405 0.909 -1.552 -1.757 1.00 0.00 O ATOM 348 CB SER A 405 -1.360 -3.287 -3.293 1.00 0.00 C ATOM 349 OG SER A 405 -2.674 -3.805 -3.411 1.00 0.00 O ATOM 0 H SER A 405 -1.462 -0.941 -1.676 1.00 0.00 H new ATOM 0 HA SER A 405 -1.274 -3.845 -1.231 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.268 -2.381 -3.891 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.645 -4.006 -3.692 1.00 0.00 H new ATOM 0 HG SER A 405 -2.840 -4.067 -4.341 1.00 0.00 H new ATOM 355 N TRP A 406 1.232 -3.752 -1.453 1.00 0.00 N ATOM 356 CA TRP A 406 2.657 -3.605 -1.228 1.00 0.00 C ATOM 357 C TRP A 406 3.445 -3.683 -2.530 1.00 0.00 C ATOM 358 O TRP A 406 3.424 -4.698 -3.227 1.00 0.00 O ATOM 359 CB TRP A 406 3.156 -4.674 -0.257 1.00 0.00 C ATOM 360 CG TRP A 406 4.551 -4.421 0.218 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.674 -5.094 -0.155 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.967 -3.435 1.161 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.766 -4.573 0.485 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.362 -3.558 1.302 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.300 -2.458 1.899 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.096 -2.736 2.147 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.031 -1.646 2.740 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.419 -1.788 2.856 1.00 0.00 C ATOM 0 H TRP A 406 0.889 -4.711 -1.398 1.00 0.00 H new ATOM 0 HA TRP A 406 2.818 -2.618 -0.795 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.487 -4.718 0.602 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.114 -5.648 -0.744 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.700 -5.918 -0.853 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.728 -4.892 0.370 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.230 -2.339 1.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.167 -2.844 2.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.525 -0.888 3.319 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.964 -1.134 3.520 1.00 0.00 H new ATOM 379 N HIS A 407 4.226 -2.648 -2.780 1.00 0.00 N ATOM 380 CA HIS A 407 5.157 -2.613 -3.901 1.00 0.00 C ATOM 381 C HIS A 407 6.389 -3.444 -3.545 1.00 0.00 C ATOM 382 O HIS A 407 7.320 -2.941 -2.920 1.00 0.00 O ATOM 383 CB HIS A 407 5.530 -1.150 -4.166 1.00 0.00 C ATOM 384 CG HIS A 407 6.423 -0.879 -5.340 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.722 -1.313 -5.420 1.00 0.00 N ATOM 386 CD2 HIS A 407 6.211 -0.143 -6.456 1.00 0.00 C ATOM 387 CE1 HIS A 407 8.272 -0.857 -6.528 1.00 0.00 C ATOM 388 NE2 HIS A 407 7.378 -0.141 -7.179 1.00 0.00 N ATOM 0 H HIS A 407 4.235 -1.802 -2.210 1.00 0.00 H new ATOM 0 HA HIS A 407 4.710 -3.033 -4.802 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.608 -0.585 -4.303 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.015 -0.757 -3.273 1.00 0.00 H new ATOM 0 HD2 HIS A 407 5.291 0.353 -6.728 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.287 -1.040 -6.849 1.00 0.00 H new ATOM 0 HE2 HIS A 407 7.528 0.334 -8.069 1.00 0.00 H new ATOM 397 N LYS A 408 6.320 -4.742 -3.823 1.00 0.00 N ATOM 398 CA LYS A 408 7.363 -5.696 -3.433 1.00 0.00 C ATOM 399 C LYS A 408 8.609 -5.542 -4.304 1.00 0.00 C ATOM 400 O LYS A 408 9.039 -6.479 -4.976 1.00 0.00 O ATOM 401 CB LYS A 408 6.822 -7.126 -3.537 1.00 0.00 C ATOM 402 CG LYS A 408 5.558 -7.357 -2.724 1.00 0.00 C ATOM 403 CD LYS A 408 4.898 -8.685 -3.062 1.00 0.00 C ATOM 404 CE LYS A 408 5.783 -9.864 -2.696 1.00 0.00 C ATOM 405 NZ LYS A 408 5.111 -11.162 -2.968 1.00 0.00 N ATOM 0 H LYS A 408 5.540 -5.167 -4.325 1.00 0.00 H new ATOM 0 HA LYS A 408 7.647 -5.489 -2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 408 6.618 -7.354 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 408 7.591 -7.822 -3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 408 5.801 -7.333 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 408 4.855 -6.545 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 408 3.949 -8.765 -2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 408 4.672 -8.718 -4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 408 6.713 -9.810 -3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 408 6.048 -9.806 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 5.746 -11.943 -2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 4.236 -11.224 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 4.880 -11.228 -3.980 1.00 0.00 H new ATOM 419 N GLU A 409 9.142 -4.337 -4.313 1.00 0.00 N ATOM 420 CA GLU A 409 10.290 -3.978 -5.124 1.00 0.00 C ATOM 421 C GLU A 409 10.790 -2.620 -4.661 1.00 0.00 C ATOM 422 O GLU A 409 10.005 -1.825 -4.144 1.00 0.00 O ATOM 423 CB GLU A 409 9.891 -3.922 -6.600 1.00 0.00 C ATOM 424 CG GLU A 409 11.034 -3.592 -7.543 1.00 0.00 C ATOM 425 CD GLU A 409 10.572 -3.374 -8.969 1.00 0.00 C ATOM 426 OE1 GLU A 409 9.351 -3.450 -9.231 1.00 0.00 O ATOM 427 OE2 GLU A 409 11.430 -3.117 -9.838 1.00 0.00 O ATOM 0 H GLU A 409 8.785 -3.567 -3.748 1.00 0.00 H new ATOM 0 HA GLU A 409 11.078 -4.723 -5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 409 9.465 -4.884 -6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.106 -3.176 -6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.544 -2.696 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 409 11.763 -4.402 -7.522 1.00 0.00 H new ATOM 434 N VAL A 410 12.077 -2.350 -4.800 1.00 0.00 N ATOM 435 CA VAL A 410 12.612 -1.068 -4.367 1.00 0.00 C ATOM 436 C VAL A 410 13.617 -0.496 -5.348 1.00 0.00 C ATOM 437 O VAL A 410 14.403 -1.216 -5.964 1.00 0.00 O ATOM 438 CB VAL A 410 13.235 -1.124 -2.964 1.00 0.00 C ATOM 439 CG1 VAL A 410 12.141 -1.037 -1.915 1.00 0.00 C ATOM 440 CG2 VAL A 410 14.065 -2.383 -2.778 1.00 0.00 C ATOM 0 H VAL A 410 12.762 -2.989 -5.203 1.00 0.00 H new ATOM 0 HA VAL A 410 11.749 -0.403 -4.329 1.00 0.00 H new ATOM 0 HB VAL A 410 13.906 -0.273 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 410 12.586 -1.077 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 410 11.598 -0.099 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 410 11.452 -1.873 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 410 14.492 -2.392 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 410 13.431 -3.260 -2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 410 14.868 -2.401 -3.515 1.00 0.00 H new ATOM 450 N LYS A 411 13.499 0.801 -5.545 1.00 0.00 N ATOM 451 CA LYS A 411 14.290 1.538 -6.497 1.00 0.00 C ATOM 452 C LYS A 411 14.415 2.960 -5.976 1.00 0.00 C ATOM 453 O LYS A 411 13.475 3.456 -5.360 1.00 0.00 O ATOM 454 CB LYS A 411 13.563 1.501 -7.844 1.00 0.00 C ATOM 455 CG LYS A 411 14.316 2.105 -9.023 1.00 0.00 C ATOM 456 CD LYS A 411 14.180 3.619 -9.067 1.00 0.00 C ATOM 457 CE LYS A 411 14.709 4.193 -10.365 1.00 0.00 C ATOM 458 NZ LYS A 411 13.829 3.869 -11.514 1.00 0.00 N ATOM 0 H LYS A 411 12.834 1.381 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 411 15.286 1.115 -6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 411 13.329 0.463 -8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 411 12.613 2.025 -7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 411 15.370 1.837 -8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 411 13.937 1.679 -9.952 1.00 0.00 H new ATOM 0 HD2 LYS A 411 13.132 3.894 -8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 411 14.721 4.057 -8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 411 14.801 5.275 -10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 411 15.709 3.803 -10.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 14.086 4.465 -12.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 13.945 2.867 -11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 12.838 4.047 -11.253 1.00 0.00 H new ATOM 472 N ALA A 412 15.582 3.574 -6.132 1.00 0.00 N ATOM 473 CA ALA A 412 15.803 4.925 -5.624 1.00 0.00 C ATOM 474 C ALA A 412 14.793 5.896 -6.225 1.00 0.00 C ATOM 475 O ALA A 412 14.881 6.250 -7.401 1.00 0.00 O ATOM 476 CB ALA A 412 17.220 5.379 -5.932 1.00 0.00 C ATOM 0 H ALA A 412 16.387 3.161 -6.604 1.00 0.00 H new ATOM 0 HA ALA A 412 15.667 4.913 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 412 17.371 6.388 -5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 412 17.930 4.701 -5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 412 17.377 5.375 -7.011 1.00 0.00 H new ATOM 482 N GLY A 413 13.773 6.218 -5.447 1.00 0.00 N ATOM 483 CA GLY A 413 12.693 7.042 -5.942 1.00 0.00 C ATOM 484 C GLY A 413 11.343 6.400 -5.695 1.00 0.00 C ATOM 485 O GLY A 413 10.367 7.083 -5.391 1.00 0.00 O ATOM 0 H GLY A 413 13.674 5.921 -4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 413 12.727 8.017 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 413 12.825 7.213 -7.010 1.00 0.00 H new ATOM 489 N GLU A 414 11.299 5.075 -5.790 1.00 0.00 N ATOM 490 CA GLU A 414 10.067 4.328 -5.562 1.00 0.00 C ATOM 491 C GLU A 414 9.660 4.335 -4.101 1.00 0.00 C ATOM 492 O GLU A 414 10.412 4.755 -3.221 1.00 0.00 O ATOM 493 CB GLU A 414 10.195 2.871 -6.016 1.00 0.00 C ATOM 494 CG GLU A 414 10.079 2.678 -7.519 1.00 0.00 C ATOM 495 CD GLU A 414 8.681 2.987 -8.025 1.00 0.00 C ATOM 496 OE1 GLU A 414 8.262 4.160 -7.950 1.00 0.00 O ATOM 497 OE2 GLU A 414 7.982 2.054 -8.470 1.00 0.00 O ATOM 0 H GLU A 414 12.105 4.495 -6.024 1.00 0.00 H new ATOM 0 HA GLU A 414 9.302 4.832 -6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 414 11.157 2.481 -5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 414 9.424 2.279 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 414 10.798 3.323 -8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 414 10.338 1.650 -7.774 1.00 0.00 H new ATOM 504 N LYS A 415 8.503 3.756 -3.862 1.00 0.00 N ATOM 505 CA LYS A 415 7.966 3.572 -2.542 1.00 0.00 C ATOM 506 C LYS A 415 7.119 2.309 -2.546 1.00 0.00 C ATOM 507 O LYS A 415 6.832 1.767 -3.616 1.00 0.00 O ATOM 508 CB LYS A 415 7.182 4.811 -2.129 1.00 0.00 C ATOM 509 CG LYS A 415 6.107 5.249 -3.107 1.00 0.00 C ATOM 510 CD LYS A 415 4.885 4.360 -3.034 1.00 0.00 C ATOM 511 CE LYS A 415 3.762 4.905 -3.900 1.00 0.00 C ATOM 512 NZ LYS A 415 4.144 5.008 -5.336 1.00 0.00 N ATOM 0 H LYS A 415 7.900 3.394 -4.601 1.00 0.00 H new ATOM 0 HA LYS A 415 8.758 3.446 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 415 6.716 4.621 -1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 415 7.882 5.635 -1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 415 5.820 6.279 -2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 415 6.509 5.232 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 415 5.144 3.353 -3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 415 4.548 4.284 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 415 2.889 4.259 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 415 3.471 5.890 -3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 3.310 5.271 -5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 4.880 5.734 -5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 4.509 4.091 -5.665 1.00 0.00 H new ATOM 526 N ASN A 416 6.941 1.717 -1.387 1.00 0.00 N ATOM 527 CA ASN A 416 6.385 0.377 -1.323 1.00 0.00 C ATOM 528 C ASN A 416 4.871 0.376 -1.141 1.00 0.00 C ATOM 529 O ASN A 416 4.141 0.095 -2.081 1.00 0.00 O ATOM 530 CB ASN A 416 7.054 -0.450 -0.229 1.00 0.00 C ATOM 531 CG ASN A 416 8.540 -0.661 -0.468 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.334 0.278 -0.408 1.00 0.00 O ATOM 533 ND2 ASN A 416 8.932 -1.899 -0.742 1.00 0.00 N ATOM 0 H ASN A 416 7.169 2.133 -0.484 1.00 0.00 H new ATOM 0 HA ASN A 416 6.594 -0.086 -2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 416 6.913 0.046 0.731 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.561 -1.420 -0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 416 9.918 -2.096 -0.911 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.247 -2.653 -0.784 1.00 0.00 H new ATOM 540 N CYS A 417 4.380 0.641 0.056 1.00 0.00 N ATOM 541 CA CYS A 417 2.939 0.603 0.262 1.00 0.00 C ATOM 542 C CYS A 417 2.281 1.703 -0.554 1.00 0.00 C ATOM 543 O CYS A 417 2.665 2.871 -0.462 1.00 0.00 O ATOM 544 CB CYS A 417 2.570 0.737 1.735 1.00 0.00 C ATOM 545 SG CYS A 417 0.824 0.345 2.084 1.00 0.00 S ATOM 0 H CYS A 417 4.935 0.878 0.878 1.00 0.00 H new ATOM 0 HA CYS A 417 2.574 -0.369 -0.072 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.207 0.076 2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.778 1.755 2.063 1.00 0.00 H new ATOM 550 N GLN A 418 1.387 1.307 -1.445 1.00 0.00 N ATOM 551 CA GLN A 418 0.791 2.244 -2.376 1.00 0.00 C ATOM 552 C GLN A 418 -0.644 1.875 -2.693 1.00 0.00 C ATOM 553 O GLN A 418 -1.065 0.731 -2.509 1.00 0.00 O ATOM 554 CB GLN A 418 1.626 2.348 -3.663 1.00 0.00 C ATOM 555 CG GLN A 418 2.142 1.028 -4.222 1.00 0.00 C ATOM 556 CD GLN A 418 1.081 0.205 -4.925 1.00 0.00 C ATOM 557 OE1 GLN A 418 0.330 0.715 -5.754 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.040 -1.079 -4.623 1.00 0.00 N ATOM 0 H GLN A 418 1.060 0.346 -1.541 1.00 0.00 H new ATOM 0 HA GLN A 418 0.782 3.222 -1.896 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.022 2.834 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.479 2.998 -3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 418 2.953 1.232 -4.921 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.565 0.440 -3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.682 -1.460 -3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.366 -1.690 -5.084 1.00 0.00 H new ATOM 567 N PHE A 419 -1.394 2.874 -3.126 1.00 0.00 N ATOM 568 CA PHE A 419 -2.788 2.700 -3.486 1.00 0.00 C ATOM 569 C PHE A 419 -2.893 1.862 -4.753 1.00 0.00 C ATOM 570 O PHE A 419 -2.429 2.279 -5.814 1.00 0.00 O ATOM 571 CB PHE A 419 -3.426 4.074 -3.705 1.00 0.00 C ATOM 572 CG PHE A 419 -4.890 4.029 -4.028 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.775 3.370 -3.197 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.376 4.643 -5.169 1.00 0.00 C ATOM 575 CE1 PHE A 419 -7.122 3.324 -3.504 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.720 4.603 -5.477 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.595 3.940 -4.642 1.00 0.00 C ATOM 0 H PHE A 419 -1.052 3.828 -3.237 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.313 2.184 -2.683 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.282 4.676 -2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.902 4.580 -4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.412 2.888 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.694 5.160 -5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.806 2.804 -2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.086 5.089 -6.369 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.648 3.904 -4.880 1.00 0.00 H new ATOM 587 N ASN A 420 -3.461 0.669 -4.636 1.00 0.00 N ATOM 588 CA ASN A 420 -3.575 -0.227 -5.783 1.00 0.00 C ATOM 589 C ASN A 420 -4.620 0.282 -6.766 1.00 0.00 C ATOM 590 O ASN A 420 -4.575 -0.048 -7.955 1.00 0.00 O ATOM 591 CB ASN A 420 -3.895 -1.665 -5.352 1.00 0.00 C ATOM 592 CG ASN A 420 -5.161 -1.805 -4.521 1.00 0.00 C ATOM 593 OD1 ASN A 420 -6.242 -1.377 -4.919 1.00 0.00 O ATOM 594 ND2 ASN A 420 -5.036 -2.449 -3.372 1.00 0.00 N ATOM 0 H ASN A 420 -3.847 0.300 -3.767 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.606 -0.240 -6.282 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.989 -2.286 -6.243 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.054 -2.055 -4.779 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.854 -2.605 -2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.122 -2.790 -3.075 1.00 0.00 H new ATOM 601 N SER A 421 -5.564 1.069 -6.245 1.00 0.00 N ATOM 602 CA SER A 421 -6.656 1.655 -7.022 1.00 0.00 C ATOM 603 C SER A 421 -7.698 0.608 -7.412 1.00 0.00 C ATOM 604 O SER A 421 -8.896 0.794 -7.173 1.00 0.00 O ATOM 605 CB SER A 421 -6.118 2.377 -8.268 1.00 0.00 C ATOM 606 OG SER A 421 -7.144 3.094 -8.936 1.00 0.00 O ATOM 0 H SER A 421 -5.591 1.320 -5.257 1.00 0.00 H new ATOM 0 HA SER A 421 -7.150 2.389 -6.385 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.323 3.063 -7.977 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.678 1.649 -8.950 1.00 0.00 H new ATOM 0 HG SER A 421 -6.770 3.543 -9.723 1.00 0.00 H new ATOM 612 N THR A 422 -7.249 -0.493 -7.984 1.00 0.00 N ATOM 613 CA THR A 422 -8.147 -1.550 -8.396 1.00 0.00 C ATOM 614 C THR A 422 -7.710 -2.900 -7.839 1.00 0.00 C ATOM 615 O THR A 422 -6.823 -3.556 -8.389 1.00 0.00 O ATOM 616 CB THR A 422 -8.235 -1.627 -9.933 1.00 0.00 C ATOM 617 OG1 THR A 422 -6.927 -1.463 -10.504 1.00 0.00 O ATOM 618 CG2 THR A 422 -9.166 -0.558 -10.481 1.00 0.00 C ATOM 0 H THR A 422 -6.264 -0.677 -8.174 1.00 0.00 H new ATOM 0 HA THR A 422 -9.132 -1.313 -7.994 1.00 0.00 H new ATOM 0 HB THR A 422 -8.635 -2.605 -10.202 1.00 0.00 H new ATOM 0 HG1 THR A 422 -6.303 -2.087 -10.077 1.00 0.00 H new ATOM 0 HG21 THR A 422 -9.209 -0.635 -11.567 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.165 -0.698 -10.067 1.00 0.00 H new ATOM 0 HG23 THR A 422 -8.793 0.427 -10.202 1.00 0.00 H new ATOM 626 N LYS A 423 -8.390 -3.334 -6.788 1.00 0.00 N ATOM 627 CA LYS A 423 -8.144 -4.634 -6.177 1.00 0.00 C ATOM 628 C LYS A 423 -9.211 -4.894 -5.123 1.00 0.00 C ATOM 629 O LYS A 423 -9.761 -5.991 -5.031 1.00 0.00 O ATOM 630 CB LYS A 423 -6.747 -4.681 -5.531 1.00 0.00 C ATOM 631 CG LYS A 423 -6.123 -6.078 -5.454 1.00 0.00 C ATOM 632 CD LYS A 423 -6.879 -7.013 -4.516 1.00 0.00 C ATOM 633 CE LYS A 423 -6.708 -6.622 -3.055 1.00 0.00 C ATOM 634 NZ LYS A 423 -5.360 -6.972 -2.532 1.00 0.00 N ATOM 0 H LYS A 423 -9.128 -2.796 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.186 -5.403 -6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -6.079 -4.030 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -6.814 -4.272 -4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -6.098 -6.515 -6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -5.090 -5.991 -5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -7.939 -7.003 -4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -6.526 -8.034 -4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -6.870 -5.550 -2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -7.469 -7.122 -2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -5.307 -6.734 -1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -5.193 -7.991 -2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -4.636 -6.436 -3.052 1.00 0.00 H new ATOM 648 N ALA A 424 -9.502 -3.871 -4.337 1.00 0.00 N ATOM 649 CA ALA A 424 -10.499 -3.970 -3.285 1.00 0.00 C ATOM 650 C ALA A 424 -11.912 -3.894 -3.850 1.00 0.00 C ATOM 651 O ALA A 424 -12.160 -3.222 -4.854 1.00 0.00 O ATOM 652 CB ALA A 424 -10.284 -2.883 -2.248 1.00 0.00 C ATOM 0 H ALA A 424 -9.058 -2.956 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 424 -10.383 -4.942 -2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -11.039 -2.971 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -9.293 -2.991 -1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -10.366 -1.905 -2.723 1.00 0.00 H new ATOM 658 N SER A 425 -12.833 -4.578 -3.185 1.00 0.00 N ATOM 659 CA SER A 425 -14.234 -4.586 -3.572 1.00 0.00 C ATOM 660 C SER A 425 -14.832 -3.183 -3.479 1.00 0.00 C ATOM 661 O SER A 425 -14.388 -2.360 -2.672 1.00 0.00 O ATOM 662 CB SER A 425 -15.007 -5.555 -2.673 1.00 0.00 C ATOM 663 OG SER A 425 -16.383 -5.602 -3.013 1.00 0.00 O ATOM 0 H SER A 425 -12.628 -5.143 -2.361 1.00 0.00 H new ATOM 0 HA SER A 425 -14.311 -4.916 -4.608 1.00 0.00 H new ATOM 0 HB2 SER A 425 -14.577 -6.553 -2.759 1.00 0.00 H new ATOM 0 HB3 SER A 425 -14.900 -5.250 -1.632 1.00 0.00 H new ATOM 0 HG SER A 425 -16.924 -5.452 -2.210 1.00 0.00 H new ATOM 669 N LYS A 426 -15.844 -2.919 -4.302 1.00 0.00 N ATOM 670 CA LYS A 426 -16.534 -1.630 -4.298 1.00 0.00 C ATOM 671 C LYS A 426 -17.163 -1.364 -2.932 1.00 0.00 C ATOM 672 O LYS A 426 -17.210 -0.226 -2.460 1.00 0.00 O ATOM 673 CB LYS A 426 -17.611 -1.599 -5.388 1.00 0.00 C ATOM 674 CG LYS A 426 -17.058 -1.697 -6.803 1.00 0.00 C ATOM 675 CD LYS A 426 -16.286 -0.446 -7.192 1.00 0.00 C ATOM 676 CE LYS A 426 -15.677 -0.564 -8.583 1.00 0.00 C ATOM 677 NZ LYS A 426 -14.597 -1.585 -8.631 1.00 0.00 N ATOM 0 H LYS A 426 -16.207 -3.585 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 426 -15.803 -0.848 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -18.306 -2.422 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -18.182 -0.675 -5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -16.405 -2.566 -6.879 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -17.878 -1.852 -7.504 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -16.952 0.416 -7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -15.495 -0.266 -6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -16.456 -0.826 -9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -15.276 0.403 -8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -14.096 -1.518 -9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -13.927 -1.418 -7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -15.012 -2.534 -8.533 1.00 0.00 H new ATOM 691 N SER A 427 -17.585 -2.438 -2.280 1.00 0.00 N ATOM 692 CA SER A 427 -18.139 -2.372 -0.942 1.00 0.00 C ATOM 693 C SER A 427 -18.083 -3.767 -0.332 1.00 0.00 C ATOM 694 O SER A 427 -17.949 -4.734 -1.110 1.00 0.00 O ATOM 695 CB SER A 427 -19.583 -1.861 -0.987 1.00 0.00 C ATOM 696 OG SER A 427 -19.821 -0.870 0.004 1.00 0.00 O ATOM 697 OXT SER A 427 -18.132 -3.895 0.909 1.00 0.00 O ATOM 0 H SER A 427 -17.551 -3.381 -2.668 1.00 0.00 H new ATOM 0 HA SER A 427 -17.561 -1.678 -0.332 1.00 0.00 H new ATOM 0 HB2 SER A 427 -19.792 -1.447 -1.973 1.00 0.00 H new ATOM 0 HB3 SER A 427 -20.269 -2.695 -0.840 1.00 0.00 H new ATOM 0 HG SER A 427 -20.751 -0.565 -0.055 1.00 0.00 H new TER 703 SER A 427