USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=12 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= 0.0924 USER MOD Set 1.2: A 422 THR OG1 : rot 180:sc= 0.0866 USER MOD Single : A 383 LYS NZ :NH3+ 132:sc= -0.0286 (180deg=-0.287) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN : amide:sc= -1.25 X(o=-1.3,f=-1.5!) USER MOD Single : A 391 LYS NZ :NH3+ 145:sc= 1.34 (180deg=0.213) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= -1.01 X(o=-1,f=-1.5) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 LYS NZ :NH3+ 170:sc= -0.0182 (180deg=-0.18) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 ASN : amide:sc= -0.665 K(o=-0.67,f=-2!) USER MOD Single : A 418 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.11) USER MOD Single : A 420 ASN : amide:sc= -1.52 K(o=-1.5,f=-9.6!) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 151:sc= 1.21 USER MOD Single : A 426 LYS NZ :NH3+ 168:sc= -0.013 (180deg=-0.181) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -8.483 17.068 1.530 1.00 0.00 N ATOM 2 CA GLY A 382 -8.558 16.106 0.407 1.00 0.00 C ATOM 3 C GLY A 382 -8.105 14.727 0.824 1.00 0.00 C ATOM 4 O GLY A 382 -7.046 14.577 1.431 1.00 0.00 O ATOM 0 HA2 GLY A 382 -9.582 16.057 0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -7.938 16.459 -0.417 1.00 0.00 H new ATOM 10 N LYS A 383 -8.881 13.711 0.481 1.00 0.00 N ATOM 11 CA LYS A 383 -8.511 12.343 0.806 1.00 0.00 C ATOM 12 C LYS A 383 -7.603 11.771 -0.272 1.00 0.00 C ATOM 13 O LYS A 383 -7.982 11.690 -1.443 1.00 0.00 O ATOM 14 CB LYS A 383 -9.749 11.454 0.968 1.00 0.00 C ATOM 15 CG LYS A 383 -10.674 11.879 2.100 1.00 0.00 C ATOM 16 CD LYS A 383 -11.753 12.840 1.620 1.00 0.00 C ATOM 17 CE LYS A 383 -12.700 12.165 0.639 1.00 0.00 C ATOM 18 NZ LYS A 383 -13.408 11.007 1.252 1.00 0.00 N ATOM 0 H LYS A 383 -9.765 13.806 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 383 -7.976 12.360 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -10.310 11.457 0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.426 10.428 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -11.142 10.997 2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.089 12.354 2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.317 13.213 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.288 13.703 1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -13.432 12.891 0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.139 11.827 -0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -14.425 11.072 1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.030 10.121 0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.264 11.018 2.282 1.00 0.00 H new ATOM 32 N SER A 384 -6.412 11.368 0.131 1.00 0.00 N ATOM 33 CA SER A 384 -5.454 10.777 -0.784 1.00 0.00 C ATOM 34 C SER A 384 -5.144 9.341 -0.364 1.00 0.00 C ATOM 35 O SER A 384 -4.181 9.096 0.360 1.00 0.00 O ATOM 36 CB SER A 384 -4.178 11.616 -0.808 1.00 0.00 C ATOM 37 OG SER A 384 -4.455 12.958 -1.182 1.00 0.00 O ATOM 0 H SER A 384 -6.084 11.440 1.094 1.00 0.00 H new ATOM 0 HA SER A 384 -5.880 10.758 -1.787 1.00 0.00 H new ATOM 0 HB2 SER A 384 -3.709 11.599 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 384 -3.465 11.180 -1.508 1.00 0.00 H new ATOM 0 HG SER A 384 -3.622 13.474 -1.188 1.00 0.00 H new ATOM 43 N PRO A 385 -5.989 8.378 -0.775 1.00 0.00 N ATOM 44 CA PRO A 385 -5.842 6.966 -0.400 1.00 0.00 C ATOM 45 C PRO A 385 -4.466 6.404 -0.744 1.00 0.00 C ATOM 46 O PRO A 385 -3.889 5.643 0.035 1.00 0.00 O ATOM 47 CB PRO A 385 -6.936 6.250 -1.204 1.00 0.00 C ATOM 48 CG PRO A 385 -7.406 7.240 -2.214 1.00 0.00 C ATOM 49 CD PRO A 385 -7.187 8.590 -1.601 1.00 0.00 C ATOM 0 HA PRO A 385 -5.937 6.830 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.545 5.354 -1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.754 5.933 -0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.850 7.140 -3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.458 7.085 -2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -7.026 9.358 -2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.041 8.907 -1.002 1.00 0.00 H new ATOM 57 N GLU A 386 -3.912 6.831 -1.876 1.00 0.00 N ATOM 58 CA GLU A 386 -2.577 6.405 -2.272 1.00 0.00 C ATOM 59 C GLU A 386 -1.556 6.844 -1.233 1.00 0.00 C ATOM 60 O GLU A 386 -0.781 6.032 -0.726 1.00 0.00 O ATOM 61 CB GLU A 386 -2.207 6.991 -3.633 1.00 0.00 C ATOM 62 CG GLU A 386 -0.878 6.488 -4.162 1.00 0.00 C ATOM 63 CD GLU A 386 -0.456 7.192 -5.430 1.00 0.00 C ATOM 64 OE1 GLU A 386 -1.200 7.122 -6.429 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.627 7.816 -5.430 1.00 0.00 O ATOM 0 H GLU A 386 -4.366 7.468 -2.531 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.573 5.317 -2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.991 6.748 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.171 8.078 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.111 6.628 -3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.948 5.417 -4.351 1.00 0.00 H new ATOM 72 N ALA A 387 -1.608 8.123 -0.883 1.00 0.00 N ATOM 73 CA ALA A 387 -0.718 8.692 0.118 1.00 0.00 C ATOM 74 C ALA A 387 -0.911 8.016 1.467 1.00 0.00 C ATOM 75 O ALA A 387 0.036 7.867 2.236 1.00 0.00 O ATOM 76 CB ALA A 387 -0.952 10.186 0.239 1.00 0.00 C ATOM 0 H ALA A 387 -2.266 8.792 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 387 0.309 8.520 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.280 10.600 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -0.759 10.663 -0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -1.985 10.370 0.535 1.00 0.00 H new ATOM 82 N GLU A 388 -2.141 7.618 1.754 1.00 0.00 N ATOM 83 CA GLU A 388 -2.446 6.957 3.011 1.00 0.00 C ATOM 84 C GLU A 388 -1.714 5.625 3.113 1.00 0.00 C ATOM 85 O GLU A 388 -1.000 5.396 4.079 1.00 0.00 O ATOM 86 CB GLU A 388 -3.952 6.764 3.176 1.00 0.00 C ATOM 87 CG GLU A 388 -4.730 8.071 3.201 1.00 0.00 C ATOM 88 CD GLU A 388 -4.230 9.046 4.252 1.00 0.00 C ATOM 89 OE1 GLU A 388 -3.097 9.562 4.118 1.00 0.00 O ATOM 90 OE2 GLU A 388 -4.977 9.312 5.218 1.00 0.00 O ATOM 0 H GLU A 388 -2.942 7.741 1.134 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.099 7.598 3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.323 6.145 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.142 6.219 4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.668 8.542 2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -5.783 7.856 3.386 1.00 0.00 H new ATOM 97 N CYS A 389 -1.789 4.807 2.064 1.00 0.00 N ATOM 98 CA CYS A 389 -1.042 3.549 2.016 1.00 0.00 C ATOM 99 C CYS A 389 0.468 3.808 2.099 1.00 0.00 C ATOM 100 O CYS A 389 1.214 2.997 2.642 1.00 0.00 O ATOM 101 CB CYS A 389 -1.371 2.803 0.723 1.00 0.00 C ATOM 102 SG CYS A 389 -3.155 2.559 0.428 1.00 0.00 S ATOM 0 H CYS A 389 -2.358 4.991 1.238 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.334 2.940 2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -0.948 3.353 -0.117 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.882 1.829 0.745 1.00 0.00 H new ATOM 107 N ASN A 390 0.903 4.963 1.590 1.00 0.00 N ATOM 108 CA ASN A 390 2.315 5.359 1.643 1.00 0.00 C ATOM 109 C ASN A 390 2.802 5.458 3.090 1.00 0.00 C ATOM 110 O ASN A 390 3.986 5.270 3.371 1.00 0.00 O ATOM 111 CB ASN A 390 2.536 6.718 0.960 1.00 0.00 C ATOM 112 CG ASN A 390 2.315 6.716 -0.545 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.274 7.779 -1.171 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.190 5.543 -1.146 1.00 0.00 N ATOM 0 H ASN A 390 0.296 5.644 1.134 1.00 0.00 H new ATOM 0 HA ASN A 390 2.881 4.591 1.116 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.865 7.449 1.411 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.554 7.051 1.164 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.055 5.499 -2.156 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.229 4.683 -0.599 1.00 0.00 H new ATOM 121 N LYS A 391 1.896 5.844 3.986 1.00 0.00 N ATOM 122 CA LYS A 391 2.235 6.051 5.392 1.00 0.00 C ATOM 123 C LYS A 391 2.653 4.740 6.047 1.00 0.00 C ATOM 124 O LYS A 391 3.533 4.714 6.908 1.00 0.00 O ATOM 125 CB LYS A 391 1.040 6.640 6.152 1.00 0.00 C ATOM 126 CG LYS A 391 0.356 7.796 5.438 1.00 0.00 C ATOM 127 CD LYS A 391 1.254 9.016 5.317 1.00 0.00 C ATOM 128 CE LYS A 391 0.606 10.096 4.464 1.00 0.00 C ATOM 129 NZ LYS A 391 -0.715 10.518 5.002 1.00 0.00 N ATOM 0 H LYS A 391 0.917 6.020 3.761 1.00 0.00 H new ATOM 0 HA LYS A 391 3.070 6.751 5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 391 0.309 5.850 6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.378 6.981 7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 391 0.049 7.474 4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -0.551 8.068 5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 391 1.468 9.413 6.309 1.00 0.00 H new ATOM 0 HD3 LYS A 391 2.208 8.726 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 391 1.268 10.960 4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 391 0.481 9.727 3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -0.850 11.535 4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -1.470 9.985 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -0.750 10.330 6.024 1.00 0.00 H new ATOM 143 N ILE A 392 1.980 3.661 5.676 1.00 0.00 N ATOM 144 CA ILE A 392 2.254 2.350 6.242 1.00 0.00 C ATOM 145 C ILE A 392 3.608 1.836 5.749 1.00 0.00 C ATOM 146 O ILE A 392 3.919 1.923 4.561 1.00 0.00 O ATOM 147 CB ILE A 392 1.162 1.303 5.882 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.257 1.732 6.313 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.494 -0.027 6.540 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.820 2.941 5.611 1.00 0.00 C ATOM 0 H ILE A 392 1.235 3.669 4.980 1.00 0.00 H new ATOM 0 HA ILE A 392 2.260 2.474 7.325 1.00 0.00 H new ATOM 0 HB ILE A 392 1.160 1.215 4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.934 0.893 6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.246 1.930 7.385 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.728 -0.760 6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.463 -0.377 6.184 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.530 0.101 7.622 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.819 3.151 5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.175 3.800 5.793 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.874 2.748 4.540 1.00 0.00 H new ATOM 162 N THR A 393 4.410 1.309 6.663 1.00 0.00 N ATOM 163 CA THR A 393 5.719 0.784 6.309 1.00 0.00 C ATOM 164 C THR A 393 5.760 -0.739 6.452 1.00 0.00 C ATOM 165 O THR A 393 6.571 -1.407 5.813 1.00 0.00 O ATOM 166 CB THR A 393 6.845 1.437 7.150 1.00 0.00 C ATOM 167 OG1 THR A 393 8.126 0.917 6.767 1.00 0.00 O ATOM 168 CG2 THR A 393 6.627 1.207 8.638 1.00 0.00 C ATOM 0 H THR A 393 4.177 1.234 7.653 1.00 0.00 H new ATOM 0 HA THR A 393 5.894 1.037 5.263 1.00 0.00 H new ATOM 0 HB THR A 393 6.819 2.509 6.957 1.00 0.00 H new ATOM 0 HG1 THR A 393 8.826 1.341 7.307 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.433 1.677 9.201 1.00 0.00 H new ATOM 0 HG22 THR A 393 5.674 1.642 8.938 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.618 0.137 8.843 1.00 0.00 H new ATOM 176 N GLU A 394 4.900 -1.290 7.304 1.00 0.00 N ATOM 177 CA GLU A 394 4.852 -2.734 7.501 1.00 0.00 C ATOM 178 C GLU A 394 4.076 -3.426 6.379 1.00 0.00 C ATOM 179 O GLU A 394 2.918 -3.105 6.117 1.00 0.00 O ATOM 180 CB GLU A 394 4.234 -3.072 8.859 1.00 0.00 C ATOM 181 CG GLU A 394 5.150 -2.774 10.038 1.00 0.00 C ATOM 182 CD GLU A 394 6.369 -3.674 10.075 1.00 0.00 C ATOM 183 OE1 GLU A 394 7.228 -3.571 9.172 1.00 0.00 O ATOM 184 OE2 GLU A 394 6.471 -4.503 11.006 1.00 0.00 O ATOM 0 H GLU A 394 4.232 -0.762 7.865 1.00 0.00 H new ATOM 0 HA GLU A 394 5.877 -3.104 7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.308 -2.509 8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 394 3.968 -4.129 8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 394 5.473 -1.734 9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 394 4.590 -2.890 10.966 1.00 0.00 H new ATOM 191 N GLU A 395 4.721 -4.399 5.750 1.00 0.00 N ATOM 192 CA GLU A 395 4.129 -5.169 4.659 1.00 0.00 C ATOM 193 C GLU A 395 2.875 -5.936 5.100 1.00 0.00 C ATOM 194 O GLU A 395 1.821 -5.782 4.485 1.00 0.00 O ATOM 195 CB GLU A 395 5.177 -6.140 4.097 1.00 0.00 C ATOM 196 CG GLU A 395 4.642 -7.126 3.075 1.00 0.00 C ATOM 197 CD GLU A 395 5.631 -8.234 2.780 1.00 0.00 C ATOM 198 OE1 GLU A 395 6.784 -7.932 2.403 1.00 0.00 O ATOM 199 OE2 GLU A 395 5.267 -9.419 2.933 1.00 0.00 O ATOM 0 H GLU A 395 5.674 -4.679 5.981 1.00 0.00 H new ATOM 0 HA GLU A 395 3.815 -4.468 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.980 -5.562 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.617 -6.697 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.712 -7.559 3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 395 4.405 -6.597 2.152 1.00 0.00 H new ATOM 206 N PRO A 396 2.953 -6.780 6.160 1.00 0.00 N ATOM 207 CA PRO A 396 1.802 -7.571 6.613 1.00 0.00 C ATOM 208 C PRO A 396 0.589 -6.703 6.929 1.00 0.00 C ATOM 209 O PRO A 396 -0.545 -7.063 6.619 1.00 0.00 O ATOM 210 CB PRO A 396 2.310 -8.260 7.880 1.00 0.00 C ATOM 211 CG PRO A 396 3.785 -8.320 7.708 1.00 0.00 C ATOM 212 CD PRO A 396 4.156 -7.067 6.974 1.00 0.00 C ATOM 0 HA PRO A 396 1.463 -8.266 5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.038 -7.698 8.773 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.883 -9.257 7.988 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.290 -8.374 8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.078 -9.206 7.145 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.381 -6.251 7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.038 -7.212 6.351 1.00 0.00 H new ATOM 220 N LYS A 397 0.842 -5.545 7.518 1.00 0.00 N ATOM 221 CA LYS A 397 -0.223 -4.614 7.848 1.00 0.00 C ATOM 222 C LYS A 397 -0.770 -3.938 6.595 1.00 0.00 C ATOM 223 O LYS A 397 -1.980 -3.839 6.417 1.00 0.00 O ATOM 224 CB LYS A 397 0.283 -3.560 8.833 1.00 0.00 C ATOM 225 CG LYS A 397 0.696 -4.138 10.173 1.00 0.00 C ATOM 226 CD LYS A 397 1.282 -3.074 11.085 1.00 0.00 C ATOM 227 CE LYS A 397 1.795 -3.683 12.378 1.00 0.00 C ATOM 228 NZ LYS A 397 2.476 -2.680 13.236 1.00 0.00 N ATOM 0 H LYS A 397 1.776 -5.228 7.777 1.00 0.00 H new ATOM 0 HA LYS A 397 -1.032 -5.178 8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.133 -3.040 8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.498 -2.817 8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -0.169 -4.595 10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.430 -4.929 10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.096 -2.561 10.573 1.00 0.00 H new ATOM 0 HD3 LYS A 397 0.523 -2.324 11.309 1.00 0.00 H new ATOM 0 HE2 LYS A 397 0.962 -4.123 12.927 1.00 0.00 H new ATOM 0 HE3 LYS A 397 2.488 -4.492 12.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 2.810 -3.138 14.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 3.287 -2.278 12.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 1.809 -1.920 13.479 1.00 0.00 H new ATOM 242 N CYS A 398 0.124 -3.426 5.755 1.00 0.00 N ATOM 243 CA CYS A 398 -0.284 -2.663 4.585 1.00 0.00 C ATOM 244 C CYS A 398 -0.987 -3.538 3.556 1.00 0.00 C ATOM 245 O CYS A 398 -1.955 -3.115 2.927 1.00 0.00 O ATOM 246 CB CYS A 398 0.919 -1.973 3.950 1.00 0.00 C ATOM 247 SG CYS A 398 0.483 -0.405 3.128 1.00 0.00 S ATOM 0 H CYS A 398 1.133 -3.526 5.864 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.994 -1.907 4.922 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.668 -1.779 4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.375 -2.645 3.223 1.00 0.00 H new ATOM 252 N SER A 399 -0.508 -4.762 3.405 1.00 0.00 N ATOM 253 CA SER A 399 -1.100 -5.705 2.471 1.00 0.00 C ATOM 254 C SER A 399 -2.517 -6.066 2.915 1.00 0.00 C ATOM 255 O SER A 399 -3.400 -6.311 2.092 1.00 0.00 O ATOM 256 CB SER A 399 -0.225 -6.961 2.375 1.00 0.00 C ATOM 257 OG SER A 399 -0.632 -7.796 1.303 1.00 0.00 O ATOM 0 H SER A 399 0.293 -5.127 3.920 1.00 0.00 H new ATOM 0 HA SER A 399 -1.157 -5.245 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 399 0.816 -6.671 2.237 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.279 -7.516 3.311 1.00 0.00 H new ATOM 0 HG SER A 399 -0.055 -8.587 1.267 1.00 0.00 H new ATOM 263 N GLU A 400 -2.728 -6.073 4.225 1.00 0.00 N ATOM 264 CA GLU A 400 -4.030 -6.379 4.797 1.00 0.00 C ATOM 265 C GLU A 400 -4.994 -5.206 4.605 1.00 0.00 C ATOM 266 O GLU A 400 -6.178 -5.408 4.321 1.00 0.00 O ATOM 267 CB GLU A 400 -3.864 -6.719 6.283 1.00 0.00 C ATOM 268 CG GLU A 400 -5.058 -7.427 6.910 1.00 0.00 C ATOM 269 CD GLU A 400 -6.201 -6.494 7.244 1.00 0.00 C ATOM 270 OE1 GLU A 400 -5.994 -5.549 8.033 1.00 0.00 O ATOM 271 OE2 GLU A 400 -7.319 -6.708 6.728 1.00 0.00 O ATOM 0 H GLU A 400 -2.006 -5.868 4.916 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.456 -7.241 4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.982 -7.348 6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.675 -5.798 6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.415 -8.197 6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -4.734 -7.934 7.819 1.00 0.00 H new ATOM 278 N GLU A 401 -4.474 -3.987 4.767 1.00 0.00 N ATOM 279 CA GLU A 401 -5.278 -2.770 4.647 1.00 0.00 C ATOM 280 C GLU A 401 -6.076 -2.740 3.353 1.00 0.00 C ATOM 281 O GLU A 401 -5.564 -3.073 2.283 1.00 0.00 O ATOM 282 CB GLU A 401 -4.396 -1.525 4.709 1.00 0.00 C ATOM 283 CG GLU A 401 -3.743 -1.304 6.056 1.00 0.00 C ATOM 284 CD GLU A 401 -4.745 -1.089 7.175 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.943 -0.878 6.891 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.329 -1.099 8.354 1.00 0.00 O ATOM 0 H GLU A 401 -3.492 -3.817 4.983 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.972 -2.774 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.620 -1.603 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.999 -0.652 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.119 -2.165 6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -3.083 -0.438 5.996 1.00 0.00 H new ATOM 293 N LYS A 402 -7.319 -2.290 3.461 1.00 0.00 N ATOM 294 CA LYS A 402 -8.197 -2.174 2.312 1.00 0.00 C ATOM 295 C LYS A 402 -7.639 -1.186 1.294 1.00 0.00 C ATOM 296 O LYS A 402 -7.261 -0.066 1.643 1.00 0.00 O ATOM 297 CB LYS A 402 -9.595 -1.732 2.746 1.00 0.00 C ATOM 298 CG LYS A 402 -10.317 -2.747 3.619 1.00 0.00 C ATOM 299 CD LYS A 402 -11.726 -2.292 3.973 1.00 0.00 C ATOM 300 CE LYS A 402 -12.640 -2.276 2.755 1.00 0.00 C ATOM 301 NZ LYS A 402 -14.039 -1.926 3.114 1.00 0.00 N ATOM 0 H LYS A 402 -7.742 -1.998 4.342 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.262 -3.156 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.516 -0.791 3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -10.196 -1.538 1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.364 -3.704 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -9.747 -2.909 4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -12.142 -2.956 4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.686 -1.294 4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -12.262 -1.558 2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -12.623 -3.255 2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -14.628 -1.926 2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -14.410 -2.625 3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -14.060 -0.981 3.548 1.00 0.00 H new ATOM 315 N ILE A 403 -7.665 -1.609 0.031 1.00 0.00 N ATOM 316 CA ILE A 403 -7.281 -0.790 -1.117 1.00 0.00 C ATOM 317 C ILE A 403 -5.804 -0.351 -1.082 1.00 0.00 C ATOM 318 O ILE A 403 -5.325 0.315 -2.005 1.00 0.00 O ATOM 319 CB ILE A 403 -8.247 0.414 -1.277 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.618 0.600 -2.750 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.663 1.705 -0.709 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.784 1.543 -2.967 1.00 0.00 C ATOM 0 H ILE A 403 -7.960 -2.551 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.373 -1.419 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.146 0.188 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.750 0.979 -3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.862 -0.371 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.376 2.518 -0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.459 1.575 0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.736 1.945 -1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.991 1.627 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.665 1.155 -2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.536 2.526 -2.567 1.00 0.00 H new ATOM 334 N CYS A 404 -5.039 -0.921 -0.158 1.00 0.00 N ATOM 335 CA CYS A 404 -3.594 -0.740 -0.154 1.00 0.00 C ATOM 336 C CYS A 404 -2.904 -2.020 -0.623 1.00 0.00 C ATOM 337 O CYS A 404 -3.355 -3.123 -0.312 1.00 0.00 O ATOM 338 CB CYS A 404 -3.100 -0.366 1.246 1.00 0.00 C ATOM 339 SG CYS A 404 -3.713 1.237 1.863 1.00 0.00 S ATOM 0 H CYS A 404 -5.394 -1.510 0.595 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.347 0.072 -0.838 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.400 -1.148 1.944 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -2.010 -0.345 1.239 1.00 0.00 H new ATOM 344 N SER A 405 -1.840 -1.878 -1.399 1.00 0.00 N ATOM 345 CA SER A 405 -1.107 -3.031 -1.899 1.00 0.00 C ATOM 346 C SER A 405 0.388 -2.818 -1.739 1.00 0.00 C ATOM 347 O SER A 405 0.888 -1.694 -1.858 1.00 0.00 O ATOM 348 CB SER A 405 -1.455 -3.305 -3.363 1.00 0.00 C ATOM 349 OG SER A 405 -0.681 -4.367 -3.893 1.00 0.00 O ATOM 0 H SER A 405 -1.465 -0.977 -1.696 1.00 0.00 H new ATOM 0 HA SER A 405 -1.399 -3.902 -1.312 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.514 -3.549 -3.446 1.00 0.00 H new ATOM 0 HB3 SER A 405 -1.288 -2.403 -3.952 1.00 0.00 H new ATOM 0 HG SER A 405 -0.929 -4.517 -4.829 1.00 0.00 H new ATOM 355 N TRP A 406 1.087 -3.888 -1.395 1.00 0.00 N ATOM 356 CA TRP A 406 2.512 -3.817 -1.157 1.00 0.00 C ATOM 357 C TRP A 406 3.291 -3.839 -2.476 1.00 0.00 C ATOM 358 O TRP A 406 2.780 -4.260 -3.513 1.00 0.00 O ATOM 359 CB TRP A 406 2.953 -4.955 -0.235 1.00 0.00 C ATOM 360 CG TRP A 406 4.318 -4.750 0.344 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.439 -5.478 0.078 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.704 -3.759 1.301 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.499 -4.992 0.793 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.077 -3.940 1.554 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.030 -2.732 1.965 1.00 0.00 C ATOM 366 CZ2 TRP A 406 6.783 -3.137 2.438 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.734 -1.936 2.844 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.097 -2.143 3.070 1.00 0.00 C ATOM 0 H TRP A 406 0.685 -4.818 -1.275 1.00 0.00 H new ATOM 0 HA TRP A 406 2.733 -2.871 -0.662 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.233 -5.056 0.577 1.00 0.00 H new ATOM 0 HB3 TRP A 406 2.939 -5.892 -0.792 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.484 -6.318 -0.600 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.451 -5.357 0.763 1.00 0.00 H new ATOM 0 HE3 TRP A 406 2.977 -2.564 1.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 7.836 -3.294 2.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.224 -1.140 3.366 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.620 -1.500 3.762 1.00 0.00 H new ATOM 379 N HIS A 407 4.454 -3.214 -2.442 1.00 0.00 N ATOM 380 CA HIS A 407 5.269 -2.959 -3.616 1.00 0.00 C ATOM 381 C HIS A 407 6.729 -3.231 -3.266 1.00 0.00 C ATOM 382 O HIS A 407 7.467 -2.311 -2.921 1.00 0.00 O ATOM 383 CB HIS A 407 5.090 -1.491 -4.018 1.00 0.00 C ATOM 384 CG HIS A 407 5.580 -1.133 -5.387 1.00 0.00 C ATOM 385 ND1 HIS A 407 6.846 -1.420 -5.848 1.00 0.00 N ATOM 386 CD2 HIS A 407 4.970 -0.452 -6.383 1.00 0.00 C ATOM 387 CE1 HIS A 407 6.989 -0.930 -7.064 1.00 0.00 C ATOM 388 NE2 HIS A 407 5.865 -0.342 -7.412 1.00 0.00 N ATOM 0 H HIS A 407 4.867 -2.862 -1.578 1.00 0.00 H new ATOM 0 HA HIS A 407 4.972 -3.603 -4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.031 -1.241 -3.953 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.610 -0.867 -3.291 1.00 0.00 H new ATOM 0 HD2 HIS A 407 3.962 -0.066 -6.369 1.00 0.00 H new ATOM 0 HE1 HIS A 407 7.879 -1.000 -7.672 1.00 0.00 H new ATOM 0 HE2 HIS A 407 5.689 0.121 -8.304 1.00 0.00 H new ATOM 397 N LYS A 408 7.075 -4.508 -3.166 1.00 0.00 N ATOM 398 CA LYS A 408 8.380 -4.919 -2.655 1.00 0.00 C ATOM 399 C LYS A 408 9.532 -4.302 -3.442 1.00 0.00 C ATOM 400 O LYS A 408 10.453 -3.732 -2.860 1.00 0.00 O ATOM 401 CB LYS A 408 8.508 -6.443 -2.690 1.00 0.00 C ATOM 402 CG LYS A 408 7.437 -7.159 -1.886 1.00 0.00 C ATOM 403 CD LYS A 408 7.688 -8.654 -1.807 1.00 0.00 C ATOM 404 CE LYS A 408 8.968 -8.969 -1.050 1.00 0.00 C ATOM 405 NZ LYS A 408 9.141 -10.428 -0.838 1.00 0.00 N ATOM 0 H LYS A 408 6.467 -5.282 -3.433 1.00 0.00 H new ATOM 0 HA LYS A 408 8.443 -4.560 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.460 -6.780 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.489 -6.726 -2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.402 -6.744 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.462 -6.979 -2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 408 6.845 -9.139 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 408 7.750 -9.067 -2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 408 9.822 -8.579 -1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 408 8.954 -8.461 -0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 10.025 -10.601 -0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 8.339 -10.796 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 9.180 -10.910 -1.759 1.00 0.00 H new ATOM 419 N GLU A 409 9.502 -4.466 -4.754 1.00 0.00 N ATOM 420 CA GLU A 409 10.563 -3.980 -5.608 1.00 0.00 C ATOM 421 C GLU A 409 10.437 -2.480 -5.824 1.00 0.00 C ATOM 422 O GLU A 409 9.547 -2.024 -6.530 1.00 0.00 O ATOM 423 CB GLU A 409 10.501 -4.717 -6.939 1.00 0.00 C ATOM 424 CG GLU A 409 10.628 -6.226 -6.798 1.00 0.00 C ATOM 425 CD GLU A 409 11.958 -6.645 -6.206 1.00 0.00 C ATOM 426 OE1 GLU A 409 13.006 -6.357 -6.822 1.00 0.00 O ATOM 427 OE2 GLU A 409 11.969 -7.270 -5.123 1.00 0.00 O ATOM 0 H GLU A 409 8.746 -4.937 -5.251 1.00 0.00 H new ATOM 0 HA GLU A 409 11.525 -4.167 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 409 9.557 -4.483 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 409 11.298 -4.351 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 409 9.820 -6.598 -6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 409 10.508 -6.690 -7.777 1.00 0.00 H new ATOM 434 N VAL A 410 11.327 -1.714 -5.213 1.00 0.00 N ATOM 435 CA VAL A 410 11.298 -0.261 -5.329 1.00 0.00 C ATOM 436 C VAL A 410 12.695 0.286 -5.549 1.00 0.00 C ATOM 437 O VAL A 410 13.676 -0.279 -5.062 1.00 0.00 O ATOM 438 CB VAL A 410 10.688 0.415 -4.079 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.204 0.119 -3.971 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.413 -0.025 -2.815 1.00 0.00 C ATOM 0 H VAL A 410 12.082 -2.074 -4.629 1.00 0.00 H new ATOM 0 HA VAL A 410 10.666 -0.031 -6.187 1.00 0.00 H new ATOM 0 HB VAL A 410 10.814 1.492 -4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.800 0.606 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.692 0.496 -4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.052 -0.958 -3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 410 10.965 0.464 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.328 -1.106 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.465 0.251 -2.884 1.00 0.00 H new ATOM 450 N LYS A 411 12.794 1.328 -6.351 1.00 0.00 N ATOM 451 CA LYS A 411 14.078 1.915 -6.676 1.00 0.00 C ATOM 452 C LYS A 411 14.079 3.391 -6.304 1.00 0.00 C ATOM 453 O LYS A 411 14.308 4.263 -7.144 1.00 0.00 O ATOM 454 CB LYS A 411 14.380 1.717 -8.160 1.00 0.00 C ATOM 455 CG LYS A 411 15.815 2.025 -8.548 1.00 0.00 C ATOM 456 CD LYS A 411 16.803 1.107 -7.839 1.00 0.00 C ATOM 457 CE LYS A 411 18.228 1.367 -8.294 1.00 0.00 C ATOM 458 NZ LYS A 411 18.639 2.775 -8.058 1.00 0.00 N ATOM 0 H LYS A 411 11.996 1.787 -6.791 1.00 0.00 H new ATOM 0 HA LYS A 411 14.862 1.420 -6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 411 14.155 0.685 -8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 411 13.713 2.352 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 411 15.930 1.919 -9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 411 16.043 3.062 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 411 16.731 1.256 -6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 411 16.541 0.067 -8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 411 18.906 0.698 -7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 411 18.318 1.136 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 19.662 2.870 -8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 18.124 3.401 -8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 18.420 3.041 -7.077 1.00 0.00 H new ATOM 472 N ALA A 412 13.851 3.635 -5.017 1.00 0.00 N ATOM 473 CA ALA A 412 13.859 4.971 -4.417 1.00 0.00 C ATOM 474 C ALA A 412 12.698 5.853 -4.889 1.00 0.00 C ATOM 475 O ALA A 412 12.089 6.564 -4.086 1.00 0.00 O ATOM 476 CB ALA A 412 15.195 5.636 -4.662 1.00 0.00 C ATOM 0 H ALA A 412 13.651 2.895 -4.345 1.00 0.00 H new ATOM 0 HA ALA A 412 13.712 4.845 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.195 6.629 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 412 15.988 5.036 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 412 15.367 5.723 -5.735 1.00 0.00 H new ATOM 482 N GLY A 413 12.416 5.837 -6.180 1.00 0.00 N ATOM 483 CA GLY A 413 11.356 6.663 -6.722 1.00 0.00 C ATOM 484 C GLY A 413 9.978 6.220 -6.271 1.00 0.00 C ATOM 485 O GLY A 413 9.090 7.048 -6.060 1.00 0.00 O ATOM 0 H GLY A 413 12.904 5.264 -6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 413 11.517 7.698 -6.420 1.00 0.00 H new ATOM 0 HA3 GLY A 413 11.403 6.638 -7.811 1.00 0.00 H new ATOM 489 N GLU A 414 9.780 4.910 -6.197 1.00 0.00 N ATOM 490 CA GLU A 414 8.480 4.345 -5.850 1.00 0.00 C ATOM 491 C GLU A 414 8.247 4.385 -4.340 1.00 0.00 C ATOM 492 O GLU A 414 8.881 5.155 -3.618 1.00 0.00 O ATOM 493 CB GLU A 414 8.372 2.895 -6.348 1.00 0.00 C ATOM 494 CG GLU A 414 8.504 2.736 -7.857 1.00 0.00 C ATOM 495 CD GLU A 414 9.896 3.054 -8.357 1.00 0.00 C ATOM 496 OE1 GLU A 414 10.854 2.379 -7.929 1.00 0.00 O ATOM 497 OE2 GLU A 414 10.042 4.005 -9.148 1.00 0.00 O ATOM 0 H GLU A 414 10.506 4.215 -6.373 1.00 0.00 H new ATOM 0 HA GLU A 414 7.716 4.951 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.145 2.299 -5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.411 2.487 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 414 8.247 1.714 -8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 414 7.786 3.390 -8.352 1.00 0.00 H new ATOM 504 N LYS A 415 7.382 3.501 -3.866 1.00 0.00 N ATOM 505 CA LYS A 415 7.088 3.386 -2.453 1.00 0.00 C ATOM 506 C LYS A 415 6.603 1.973 -2.173 1.00 0.00 C ATOM 507 O LYS A 415 5.933 1.379 -3.019 1.00 0.00 O ATOM 508 CB LYS A 415 6.029 4.422 -2.049 1.00 0.00 C ATOM 509 CG LYS A 415 5.632 4.380 -0.579 1.00 0.00 C ATOM 510 CD LYS A 415 6.835 4.494 0.349 1.00 0.00 C ATOM 511 CE LYS A 415 7.640 5.762 0.099 1.00 0.00 C ATOM 512 NZ LYS A 415 6.934 6.984 0.561 1.00 0.00 N ATOM 0 H LYS A 415 6.866 2.845 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 415 7.985 3.581 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 415 6.406 5.418 -2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 415 5.138 4.268 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 415 4.936 5.193 -0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.105 3.448 -0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 415 6.495 4.481 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.479 3.625 0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 415 8.600 5.686 0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 415 7.852 5.850 -0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 7.523 7.819 0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 6.030 7.074 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 6.754 6.916 1.583 1.00 0.00 H new ATOM 526 N ASN A 416 7.088 1.376 -1.086 1.00 0.00 N ATOM 527 CA ASN A 416 6.811 -0.033 -0.809 1.00 0.00 C ATOM 528 C ASN A 416 5.333 -0.306 -0.650 1.00 0.00 C ATOM 529 O ASN A 416 4.904 -1.433 -0.783 1.00 0.00 O ATOM 530 CB ASN A 416 7.529 -0.538 0.434 1.00 0.00 C ATOM 531 CG ASN A 416 9.018 -0.739 0.230 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.760 0.211 -0.016 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.466 -1.981 0.330 1.00 0.00 N ATOM 0 H ASN A 416 7.669 1.840 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 416 7.188 -0.569 -1.680 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.374 0.171 1.247 1.00 0.00 H new ATOM 0 HB3 ASN A 416 7.082 -1.482 0.744 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.459 -2.177 0.202 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.818 -2.742 0.535 1.00 0.00 H new ATOM 540 N CYS A 417 4.548 0.696 -0.353 1.00 0.00 N ATOM 541 CA CYS A 417 3.117 0.495 -0.302 1.00 0.00 C ATOM 542 C CYS A 417 2.413 1.635 -0.998 1.00 0.00 C ATOM 543 O CYS A 417 2.816 2.792 -0.876 1.00 0.00 O ATOM 544 CB CYS A 417 2.621 0.344 1.124 1.00 0.00 C ATOM 545 SG CYS A 417 1.097 -0.649 1.223 1.00 0.00 S ATOM 0 H CYS A 417 4.863 1.644 -0.146 1.00 0.00 H new ATOM 0 HA CYS A 417 2.887 -0.435 -0.821 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.397 -0.124 1.729 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.438 1.331 1.549 1.00 0.00 H new ATOM 550 N GLN A 418 1.446 1.287 -1.830 1.00 0.00 N ATOM 551 CA GLN A 418 0.774 2.261 -2.664 1.00 0.00 C ATOM 552 C GLN A 418 -0.644 1.820 -2.991 1.00 0.00 C ATOM 553 O GLN A 418 -1.051 0.698 -2.680 1.00 0.00 O ATOM 554 CB GLN A 418 1.580 2.517 -3.950 1.00 0.00 C ATOM 555 CG GLN A 418 2.304 1.293 -4.506 1.00 0.00 C ATOM 556 CD GLN A 418 1.367 0.247 -5.082 1.00 0.00 C ATOM 557 OE1 GLN A 418 0.615 0.519 -6.016 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.407 -0.960 -4.533 1.00 0.00 N ATOM 0 H GLN A 418 1.109 0.331 -1.944 1.00 0.00 H new ATOM 0 HA GLN A 418 0.709 3.196 -2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 418 0.905 2.901 -4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.315 3.298 -3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.000 1.613 -5.282 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.898 0.840 -3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 418 2.045 -1.147 -3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.800 -1.701 -4.885 1.00 0.00 H new ATOM 567 N PHE A 419 -1.407 2.751 -3.534 1.00 0.00 N ATOM 568 CA PHE A 419 -2.799 2.527 -3.874 1.00 0.00 C ATOM 569 C PHE A 419 -2.916 1.471 -4.963 1.00 0.00 C ATOM 570 O PHE A 419 -2.335 1.618 -6.037 1.00 0.00 O ATOM 571 CB PHE A 419 -3.396 3.843 -4.361 1.00 0.00 C ATOM 572 CG PHE A 419 -4.889 3.861 -4.460 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.665 3.605 -3.346 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.513 4.166 -5.658 1.00 0.00 C ATOM 575 CE1 PHE A 419 -7.042 3.645 -3.428 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.890 4.212 -5.743 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.656 3.950 -4.627 1.00 0.00 C ATOM 0 H PHE A 419 -1.075 3.690 -3.753 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.338 2.172 -2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.082 4.639 -3.686 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.979 4.073 -5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.191 3.372 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.916 4.370 -6.535 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.640 3.437 -2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.366 4.453 -6.682 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.734 3.983 -4.690 1.00 0.00 H new ATOM 587 N ASN A 420 -3.665 0.409 -4.699 1.00 0.00 N ATOM 588 CA ASN A 420 -3.826 -0.647 -5.693 1.00 0.00 C ATOM 589 C ASN A 420 -4.939 -0.320 -6.680 1.00 0.00 C ATOM 590 O ASN A 420 -5.304 -1.151 -7.514 1.00 0.00 O ATOM 591 CB ASN A 420 -4.086 -2.006 -5.036 1.00 0.00 C ATOM 592 CG ASN A 420 -5.338 -2.056 -4.175 1.00 0.00 C ATOM 593 OD1 ASN A 420 -6.384 -1.519 -4.532 1.00 0.00 O ATOM 594 ND2 ASN A 420 -5.251 -2.750 -3.050 1.00 0.00 N ATOM 0 H ASN A 420 -4.163 0.255 -3.822 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.887 -0.708 -6.242 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -4.165 -2.764 -5.815 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.226 -2.270 -4.421 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -6.069 -2.852 -2.449 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.366 -3.183 -2.785 1.00 0.00 H new ATOM 601 N SER A 421 -5.440 0.908 -6.608 1.00 0.00 N ATOM 602 CA SER A 421 -6.481 1.377 -7.510 1.00 0.00 C ATOM 603 C SER A 421 -7.742 0.509 -7.374 1.00 0.00 C ATOM 604 O SER A 421 -8.233 0.292 -6.265 1.00 0.00 O ATOM 605 CB SER A 421 -5.944 1.397 -8.951 1.00 0.00 C ATOM 606 OG SER A 421 -6.870 1.975 -9.857 1.00 0.00 O ATOM 0 H SER A 421 -5.137 1.602 -5.925 1.00 0.00 H new ATOM 0 HA SER A 421 -6.765 2.395 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.010 1.957 -8.982 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.716 0.379 -9.267 1.00 0.00 H new ATOM 0 HG SER A 421 -6.490 1.970 -10.760 1.00 0.00 H new ATOM 612 N THR A 422 -8.284 0.052 -8.493 1.00 0.00 N ATOM 613 CA THR A 422 -9.510 -0.733 -8.494 1.00 0.00 C ATOM 614 C THR A 422 -9.253 -2.216 -8.204 1.00 0.00 C ATOM 615 O THR A 422 -10.012 -3.083 -8.636 1.00 0.00 O ATOM 616 CB THR A 422 -10.232 -0.591 -9.845 1.00 0.00 C ATOM 617 OG1 THR A 422 -9.269 -0.578 -10.914 1.00 0.00 O ATOM 618 CG2 THR A 422 -11.061 0.684 -9.886 1.00 0.00 C ATOM 0 H THR A 422 -7.890 0.213 -9.420 1.00 0.00 H new ATOM 0 HA THR A 422 -10.138 -0.342 -7.694 1.00 0.00 H new ATOM 0 HB THR A 422 -10.902 -1.442 -9.967 1.00 0.00 H new ATOM 0 HG1 THR A 422 -9.734 -0.489 -11.772 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.562 0.762 -10.851 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.807 0.659 -9.091 1.00 0.00 H new ATOM 0 HG23 THR A 422 -10.409 1.546 -9.745 1.00 0.00 H new ATOM 626 N LYS A 423 -8.211 -2.501 -7.434 1.00 0.00 N ATOM 627 CA LYS A 423 -7.899 -3.872 -7.054 1.00 0.00 C ATOM 628 C LYS A 423 -8.555 -4.215 -5.722 1.00 0.00 C ATOM 629 O LYS A 423 -9.161 -5.277 -5.570 1.00 0.00 O ATOM 630 CB LYS A 423 -6.382 -4.062 -6.948 1.00 0.00 C ATOM 631 CG LYS A 423 -5.949 -5.498 -6.691 1.00 0.00 C ATOM 632 CD LYS A 423 -6.314 -6.415 -7.846 1.00 0.00 C ATOM 633 CE LYS A 423 -5.834 -7.836 -7.596 1.00 0.00 C ATOM 634 NZ LYS A 423 -6.204 -8.753 -8.706 1.00 0.00 N ATOM 0 H LYS A 423 -7.569 -1.802 -7.061 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.288 -4.539 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.918 -3.714 -7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -6.003 -3.431 -6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -4.871 -5.529 -6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -6.419 -5.861 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -7.395 -6.413 -7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -5.872 -6.036 -8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -4.751 -7.836 -7.472 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -6.262 -8.204 -6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -5.858 -9.711 -8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -7.239 -8.774 -8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -5.775 -8.417 -9.592 1.00 0.00 H new ATOM 648 N ALA A 424 -8.369 -3.321 -4.750 1.00 0.00 N ATOM 649 CA ALA A 424 -8.844 -3.511 -3.387 1.00 0.00 C ATOM 650 C ALA A 424 -8.161 -4.709 -2.730 1.00 0.00 C ATOM 651 O ALA A 424 -7.286 -5.350 -3.324 1.00 0.00 O ATOM 652 CB ALA A 424 -10.355 -3.645 -3.347 1.00 0.00 C ATOM 0 H ALA A 424 -7.879 -2.438 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.578 -2.623 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -10.681 -3.786 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -10.811 -2.741 -3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -10.660 -4.504 -3.944 1.00 0.00 H new ATOM 658 N SER A 425 -8.478 -4.943 -1.473 1.00 0.00 N ATOM 659 CA SER A 425 -7.827 -5.995 -0.720 1.00 0.00 C ATOM 660 C SER A 425 -8.838 -7.043 -0.274 1.00 0.00 C ATOM 661 O SER A 425 -9.726 -6.768 0.536 1.00 0.00 O ATOM 662 CB SER A 425 -7.102 -5.390 0.481 1.00 0.00 C ATOM 663 OG SER A 425 -6.269 -4.318 0.067 1.00 0.00 O ATOM 0 H SER A 425 -9.182 -4.420 -0.952 1.00 0.00 H new ATOM 0 HA SER A 425 -7.097 -6.491 -1.359 1.00 0.00 H new ATOM 0 HB2 SER A 425 -7.829 -5.033 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 425 -6.503 -6.155 0.975 1.00 0.00 H new ATOM 0 HG SER A 425 -6.181 -3.671 0.798 1.00 0.00 H new ATOM 669 N LYS A 426 -8.685 -8.243 -0.814 1.00 0.00 N ATOM 670 CA LYS A 426 -9.549 -9.369 -0.497 1.00 0.00 C ATOM 671 C LYS A 426 -8.971 -10.621 -1.138 1.00 0.00 C ATOM 672 O LYS A 426 -9.689 -11.448 -1.699 1.00 0.00 O ATOM 673 CB LYS A 426 -10.974 -9.127 -1.007 1.00 0.00 C ATOM 674 CG LYS A 426 -12.041 -9.323 0.057 1.00 0.00 C ATOM 675 CD LYS A 426 -12.110 -10.764 0.539 1.00 0.00 C ATOM 676 CE LYS A 426 -13.148 -10.933 1.638 1.00 0.00 C ATOM 677 NZ LYS A 426 -14.517 -10.562 1.182 1.00 0.00 N ATOM 0 H LYS A 426 -7.953 -8.464 -1.489 1.00 0.00 H new ATOM 0 HA LYS A 426 -9.599 -9.490 0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -11.044 -8.112 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -11.173 -9.803 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -11.834 -8.668 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -13.011 -9.028 -0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -12.355 -11.418 -0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -11.132 -11.073 0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -13.149 -11.968 1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -12.872 -10.316 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -15.215 -10.880 1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -14.579 -9.529 1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -14.714 -11.017 0.268 1.00 0.00 H new ATOM 691 N SER A 427 -7.654 -10.708 -1.100 1.00 0.00 N ATOM 692 CA SER A 427 -6.937 -11.805 -1.712 1.00 0.00 C ATOM 693 C SER A 427 -6.490 -12.799 -0.645 1.00 0.00 C ATOM 694 O SER A 427 -5.557 -13.589 -0.906 1.00 0.00 O ATOM 695 CB SER A 427 -5.741 -11.254 -2.487 1.00 0.00 C ATOM 696 OG SER A 427 -6.155 -10.239 -3.391 1.00 0.00 O ATOM 697 OXT SER A 427 -7.080 -12.783 0.456 1.00 0.00 O ATOM 0 H SER A 427 -7.055 -10.020 -0.644 1.00 0.00 H new ATOM 0 HA SER A 427 -7.591 -12.332 -2.406 1.00 0.00 H new ATOM 0 HB2 SER A 427 -5.005 -10.851 -1.792 1.00 0.00 H new ATOM 0 HB3 SER A 427 -5.254 -12.060 -3.035 1.00 0.00 H new ATOM 0 HG SER A 427 -5.376 -9.897 -3.877 1.00 0.00 H new TER 703 SER A 427