USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 332 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 423 LYS NZ :NH3+ 135:sc= 1.1 (180deg=-0.178) USER MOD Set 1.2: A 427 SER OG : rot -160:sc= 1.15 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0.00175 USER MOD Single : A 433 GLN :FLIP amide:sc= -0.0063 F(o=-1.3!,f=-0.0063) USER MOD Single : A 434 THR OG1 : rot 180:sc= 0.0932 USER MOD Single : A 435 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.13) USER MOD Single : A 436 THR OG1 : rot 5:sc= 0.916 USER MOD Single : A 441 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot -23:sc= 0.601 USER MOD Single : A 445 LYS NZ :NH3+ 171:sc= 2.43 (180deg=2) USER MOD Single : A 447 LYS NZ :NH3+ -169:sc=-0.00495 (180deg=-0.117) USER MOD Single : A 449 LYS NZ :NH3+ 162:sc= 0.934 (180deg=-0.38) USER MOD Single : A 452 LYS NZ :NH3+ -167:sc= -0.0185 (180deg=-0.207) USER MOD Single : A 455 LYS NZ :NH3+ -125:sc= 1.13 (180deg=-0.659) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 460 LYS NZ :NH3+ -168:sc= -0.018 (180deg=-0.152) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0 USER MOD Single : A 467 LYS NZ :NH3+ -123:sc= 0.987 (180deg=0.684) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -37.596 10.154 -8.871 1.00 0.00 N ATOM 2 CA GLY A 421 -38.584 11.181 -8.452 1.00 0.00 C ATOM 3 C GLY A 421 -39.438 10.720 -7.288 1.00 0.00 C ATOM 4 O GLY A 421 -39.756 11.502 -6.391 1.00 0.00 O ATOM 0 HA2 GLY A 421 -38.059 12.095 -8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -39.228 11.428 -9.296 1.00 0.00 H new ATOM 10 N THR A 422 -39.841 9.459 -7.320 1.00 0.00 N ATOM 11 CA THR A 422 -40.690 8.895 -6.285 1.00 0.00 C ATOM 12 C THR A 422 -40.377 7.407 -6.116 1.00 0.00 C ATOM 13 O THR A 422 -39.419 6.911 -6.715 1.00 0.00 O ATOM 14 CB THR A 422 -42.186 9.100 -6.636 1.00 0.00 C ATOM 15 OG1 THR A 422 -43.031 8.692 -5.548 1.00 0.00 O ATOM 16 CG2 THR A 422 -42.561 8.331 -7.895 1.00 0.00 C ATOM 0 H THR A 422 -39.590 8.803 -8.059 1.00 0.00 H new ATOM 0 HA THR A 422 -40.490 9.408 -5.344 1.00 0.00 H new ATOM 0 HB THR A 422 -42.337 10.164 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 422 -43.970 8.832 -5.792 1.00 0.00 H new ATOM 0 HG21 THR A 422 -43.616 8.492 -8.119 1.00 0.00 H new ATOM 0 HG22 THR A 422 -41.955 8.682 -8.730 1.00 0.00 H new ATOM 0 HG23 THR A 422 -42.381 7.267 -7.739 1.00 0.00 H new ATOM 24 N LYS A 423 -41.163 6.721 -5.279 1.00 0.00 N ATOM 25 CA LYS A 423 -40.970 5.300 -4.984 1.00 0.00 C ATOM 26 C LYS A 423 -39.732 5.084 -4.108 1.00 0.00 C ATOM 27 O LYS A 423 -38.730 5.793 -4.235 1.00 0.00 O ATOM 28 CB LYS A 423 -40.879 4.474 -6.277 1.00 0.00 C ATOM 29 CG LYS A 423 -40.749 2.977 -6.048 1.00 0.00 C ATOM 30 CD LYS A 423 -40.662 2.212 -7.360 1.00 0.00 C ATOM 31 CE LYS A 423 -39.450 2.634 -8.181 1.00 0.00 C ATOM 32 NZ LYS A 423 -38.176 2.389 -7.456 1.00 0.00 N ATOM 0 H LYS A 423 -41.953 7.138 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 423 -41.841 4.954 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -41.767 4.663 -6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -40.022 4.818 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -39.860 2.776 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -41.605 2.621 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -40.608 1.143 -7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -41.570 2.379 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -39.442 2.087 -9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -39.529 3.693 -8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -37.489 1.950 -8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -37.796 3.292 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -38.351 1.754 -6.651 1.00 0.00 H new ATOM 46 N ALA A 424 -39.839 4.143 -3.182 1.00 0.00 N ATOM 47 CA ALA A 424 -38.759 3.845 -2.250 1.00 0.00 C ATOM 48 C ALA A 424 -37.480 3.466 -2.989 1.00 0.00 C ATOM 49 O ALA A 424 -37.524 2.807 -4.029 1.00 0.00 O ATOM 50 CB ALA A 424 -39.174 2.730 -1.306 1.00 0.00 C ATOM 0 H ALA A 424 -40.671 3.567 -3.055 1.00 0.00 H new ATOM 0 HA ALA A 424 -38.556 4.745 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -38.359 2.516 -0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -40.055 3.038 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -39.406 1.834 -1.881 1.00 0.00 H new ATOM 56 N SER A 425 -36.353 3.939 -2.469 1.00 0.00 N ATOM 57 CA SER A 425 -35.056 3.695 -3.081 1.00 0.00 C ATOM 58 C SER A 425 -34.771 2.200 -3.168 1.00 0.00 C ATOM 59 O SER A 425 -34.935 1.467 -2.185 1.00 0.00 O ATOM 60 CB SER A 425 -33.958 4.401 -2.280 1.00 0.00 C ATOM 61 OG SER A 425 -34.235 5.787 -2.147 1.00 0.00 O ATOM 0 H SER A 425 -36.314 4.499 -1.617 1.00 0.00 H new ATOM 0 HA SER A 425 -35.070 4.097 -4.094 1.00 0.00 H new ATOM 0 HB2 SER A 425 -33.875 3.947 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 425 -32.997 4.265 -2.776 1.00 0.00 H new ATOM 0 HG SER A 425 -33.521 6.215 -1.630 1.00 0.00 H new ATOM 67 N LYS A 426 -34.397 1.755 -4.362 1.00 0.00 N ATOM 68 CA LYS A 426 -34.131 0.347 -4.632 1.00 0.00 C ATOM 69 C LYS A 426 -33.618 0.188 -6.060 1.00 0.00 C ATOM 70 O LYS A 426 -32.653 -0.535 -6.313 1.00 0.00 O ATOM 71 CB LYS A 426 -35.413 -0.482 -4.428 1.00 0.00 C ATOM 72 CG LYS A 426 -35.228 -1.993 -4.550 1.00 0.00 C ATOM 73 CD LYS A 426 -35.297 -2.465 -5.994 1.00 0.00 C ATOM 74 CE LYS A 426 -35.082 -3.964 -6.099 1.00 0.00 C ATOM 75 NZ LYS A 426 -35.102 -4.433 -7.509 1.00 0.00 N ATOM 0 H LYS A 426 -34.269 2.362 -5.172 1.00 0.00 H new ATOM 0 HA LYS A 426 -33.371 -0.015 -3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -35.819 -0.259 -3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -36.156 -0.161 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -34.266 -2.275 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -35.997 -2.500 -3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -36.267 -2.205 -6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -34.542 -1.946 -6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -34.127 -4.226 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -35.857 -4.482 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -34.952 -5.462 -7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -36.022 -4.207 -7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -34.346 -3.959 -8.043 1.00 0.00 H new ATOM 89 N SER A 427 -34.298 0.847 -6.992 1.00 0.00 N ATOM 90 CA SER A 427 -33.956 0.766 -8.404 1.00 0.00 C ATOM 91 C SER A 427 -32.591 1.388 -8.682 1.00 0.00 C ATOM 92 O SER A 427 -31.867 0.941 -9.574 1.00 0.00 O ATOM 93 CB SER A 427 -35.029 1.469 -9.234 1.00 0.00 C ATOM 94 OG SER A 427 -36.324 0.999 -8.888 1.00 0.00 O ATOM 0 H SER A 427 -35.097 1.448 -6.790 1.00 0.00 H new ATOM 0 HA SER A 427 -33.907 -0.287 -8.683 1.00 0.00 H new ATOM 0 HB2 SER A 427 -34.973 2.545 -9.072 1.00 0.00 H new ATOM 0 HB3 SER A 427 -34.846 1.296 -10.295 1.00 0.00 H new ATOM 0 HG SER A 427 -36.951 1.204 -9.613 1.00 0.00 H new ATOM 100 N GLY A 428 -32.271 2.452 -7.961 1.00 0.00 N ATOM 101 CA GLY A 428 -31.037 3.163 -8.211 1.00 0.00 C ATOM 102 C GLY A 428 -31.191 4.151 -9.346 1.00 0.00 C ATOM 103 O GLY A 428 -32.137 4.941 -9.361 1.00 0.00 O ATOM 0 H GLY A 428 -32.844 2.835 -7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -30.729 3.689 -7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -30.247 2.451 -8.451 1.00 0.00 H new ATOM 107 N VAL A 429 -30.303 4.076 -10.322 1.00 0.00 N ATOM 108 CA VAL A 429 -30.365 4.953 -11.479 1.00 0.00 C ATOM 109 C VAL A 429 -29.753 4.270 -12.704 1.00 0.00 C ATOM 110 O VAL A 429 -28.646 3.733 -12.642 1.00 0.00 O ATOM 111 CB VAL A 429 -29.649 6.301 -11.199 1.00 0.00 C ATOM 112 CG1 VAL A 429 -28.213 6.078 -10.743 1.00 0.00 C ATOM 113 CG2 VAL A 429 -29.691 7.202 -12.423 1.00 0.00 C ATOM 0 H VAL A 429 -29.527 3.414 -10.336 1.00 0.00 H new ATOM 0 HA VAL A 429 -31.415 5.163 -11.684 1.00 0.00 H new ATOM 0 HB VAL A 429 -30.184 6.799 -10.390 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -27.737 7.041 -10.555 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -28.210 5.486 -9.828 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -27.663 5.547 -11.520 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -29.183 8.140 -12.202 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -29.192 6.707 -13.256 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -30.728 7.405 -12.690 1.00 0.00 H new ATOM 123 N PRO A 430 -30.510 4.203 -13.815 1.00 0.00 N ATOM 124 CA PRO A 430 -30.051 3.547 -15.044 1.00 0.00 C ATOM 125 C PRO A 430 -28.869 4.283 -15.660 1.00 0.00 C ATOM 126 O PRO A 430 -27.893 3.668 -16.094 1.00 0.00 O ATOM 127 CB PRO A 430 -31.272 3.602 -15.968 1.00 0.00 C ATOM 128 CG PRO A 430 -32.123 4.702 -15.428 1.00 0.00 C ATOM 129 CD PRO A 430 -31.882 4.724 -13.944 1.00 0.00 C ATOM 0 HA PRO A 430 -29.700 2.531 -14.865 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -30.977 3.802 -16.998 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -31.809 2.653 -15.968 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -31.858 5.658 -15.880 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -33.176 4.525 -15.650 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -31.969 5.731 -13.537 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -32.600 4.101 -13.411 1.00 0.00 H new ATOM 137 N VAL A 431 -28.935 5.607 -15.617 1.00 0.00 N ATOM 138 CA VAL A 431 -27.851 6.451 -16.089 1.00 0.00 C ATOM 139 C VAL A 431 -26.638 6.296 -15.180 1.00 0.00 C ATOM 140 O VAL A 431 -26.765 6.322 -13.955 1.00 0.00 O ATOM 141 CB VAL A 431 -28.273 7.936 -16.129 1.00 0.00 C ATOM 142 CG1 VAL A 431 -27.170 8.803 -16.724 1.00 0.00 C ATOM 143 CG2 VAL A 431 -29.569 8.101 -16.905 1.00 0.00 C ATOM 0 H VAL A 431 -29.738 6.122 -15.256 1.00 0.00 H new ATOM 0 HA VAL A 431 -27.598 6.136 -17.101 1.00 0.00 H new ATOM 0 HB VAL A 431 -28.442 8.268 -15.105 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -27.494 9.844 -16.740 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -26.269 8.713 -16.117 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -26.957 8.474 -17.741 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -29.851 9.154 -16.923 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -29.430 7.745 -17.926 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -30.357 7.522 -16.424 1.00 0.00 H new ATOM 153 N THR A 432 -25.481 6.080 -15.786 1.00 0.00 N ATOM 154 CA THR A 432 -24.246 5.884 -15.045 1.00 0.00 C ATOM 155 C THR A 432 -23.930 7.112 -14.192 1.00 0.00 C ATOM 156 O THR A 432 -23.895 8.235 -14.699 1.00 0.00 O ATOM 157 CB THR A 432 -23.076 5.618 -16.011 1.00 0.00 C ATOM 158 OG1 THR A 432 -23.484 4.686 -17.026 1.00 0.00 O ATOM 159 CG2 THR A 432 -21.873 5.064 -15.266 1.00 0.00 C ATOM 0 H THR A 432 -25.372 6.036 -16.799 1.00 0.00 H new ATOM 0 HA THR A 432 -24.378 5.021 -14.393 1.00 0.00 H new ATOM 0 HB THR A 432 -22.793 6.563 -16.474 1.00 0.00 H new ATOM 0 HG1 THR A 432 -22.737 4.522 -17.639 1.00 0.00 H new ATOM 0 HG21 THR A 432 -21.060 4.884 -15.970 1.00 0.00 H new ATOM 0 HG22 THR A 432 -21.549 5.782 -14.513 1.00 0.00 H new ATOM 0 HG23 THR A 432 -22.146 4.127 -14.780 1.00 0.00 H new ATOM 167 N GLN A 433 -23.764 6.901 -12.893 1.00 0.00 N ATOM 168 CA GLN A 433 -23.519 8.004 -11.977 1.00 0.00 C ATOM 169 C GLN A 433 -22.815 7.526 -10.712 1.00 0.00 C ATOM 170 O GLN A 433 -21.770 8.053 -10.337 1.00 0.00 O ATOM 171 CB GLN A 433 -24.844 8.679 -11.603 1.00 0.00 C ATOM 172 CG GLN A 433 -24.685 9.815 -10.608 1.00 0.00 C ATOM 173 CD GLN A 433 -26.000 10.263 -9.996 1.00 0.00 C ATOM 174 OE1 GLN A 433 -27.111 9.736 -10.490 1.00 0.00 O flip ATOM 175 NE2 GLN A 433 -26.014 11.082 -9.076 1.00 0.00 N flip ATOM 0 H GLN A 433 -23.794 5.981 -12.453 1.00 0.00 H new ATOM 0 HA GLN A 433 -22.871 8.721 -12.481 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -25.315 9.062 -12.508 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -25.518 7.932 -11.185 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -24.010 9.500 -9.812 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -24.216 10.663 -11.107 1.00 0.00 H new ATOM 0 HE21 GLN A 433 -25.138 11.466 -8.722 1.00 0.00 H new ATOM 0 HE22 GLN A 433 -26.902 11.376 -8.668 1.00 0.00 H new ATOM 184 N THR A 434 -23.433 6.583 -10.021 1.00 0.00 N ATOM 185 CA THR A 434 -22.913 6.108 -8.753 1.00 0.00 C ATOM 186 C THR A 434 -21.866 5.014 -8.945 1.00 0.00 C ATOM 187 O THR A 434 -20.677 5.243 -8.704 1.00 0.00 O ATOM 188 CB THR A 434 -24.061 5.590 -7.873 1.00 0.00 C ATOM 189 OG1 THR A 434 -25.029 4.925 -8.696 1.00 0.00 O ATOM 190 CG2 THR A 434 -24.727 6.732 -7.119 1.00 0.00 C ATOM 0 H THR A 434 -24.298 6.131 -10.319 1.00 0.00 H new ATOM 0 HA THR A 434 -22.427 6.949 -8.258 1.00 0.00 H new ATOM 0 HB THR A 434 -23.652 4.891 -7.143 1.00 0.00 H new ATOM 0 HG1 THR A 434 -25.761 4.592 -8.136 1.00 0.00 H new ATOM 0 HG21 THR A 434 -25.536 6.339 -6.504 1.00 0.00 H new ATOM 0 HG22 THR A 434 -23.993 7.224 -6.482 1.00 0.00 H new ATOM 0 HG23 THR A 434 -25.130 7.452 -7.831 1.00 0.00 H new ATOM 198 N GLN A 435 -22.320 3.845 -9.404 1.00 0.00 N ATOM 199 CA GLN A 435 -21.462 2.679 -9.650 1.00 0.00 C ATOM 200 C GLN A 435 -20.886 2.108 -8.352 1.00 0.00 C ATOM 201 O GLN A 435 -21.188 0.969 -7.990 1.00 0.00 O ATOM 202 CB GLN A 435 -20.332 3.027 -10.624 1.00 0.00 C ATOM 203 CG GLN A 435 -20.820 3.382 -12.020 1.00 0.00 C ATOM 204 CD GLN A 435 -21.508 2.221 -12.713 1.00 0.00 C ATOM 205 OE1 GLN A 435 -20.886 1.205 -13.024 1.00 0.00 O ATOM 206 NE2 GLN A 435 -22.802 2.359 -12.957 1.00 0.00 N ATOM 0 H GLN A 435 -23.303 3.678 -9.618 1.00 0.00 H new ATOM 0 HA GLN A 435 -22.090 1.910 -10.100 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -19.763 3.866 -10.223 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -19.648 2.181 -10.691 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -21.511 4.223 -11.956 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -19.974 3.710 -12.624 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -23.284 3.216 -12.685 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -23.317 1.609 -13.417 1.00 0.00 H new ATOM 215 N THR A 436 -20.069 2.906 -7.661 1.00 0.00 N ATOM 216 CA THR A 436 -19.411 2.506 -6.415 1.00 0.00 C ATOM 217 C THR A 436 -18.687 1.159 -6.579 1.00 0.00 C ATOM 218 O THR A 436 -18.076 0.925 -7.624 1.00 0.00 O ATOM 219 CB THR A 436 -20.405 2.481 -5.223 1.00 0.00 C ATOM 220 OG1 THR A 436 -21.422 1.491 -5.422 1.00 0.00 O ATOM 221 CG2 THR A 436 -21.061 3.843 -5.045 1.00 0.00 C ATOM 0 H THR A 436 -19.843 3.857 -7.953 1.00 0.00 H new ATOM 0 HA THR A 436 -18.658 3.259 -6.184 1.00 0.00 H new ATOM 0 HB THR A 436 -19.837 2.231 -4.327 1.00 0.00 H new ATOM 0 HG1 THR A 436 -21.226 0.980 -6.235 1.00 0.00 H new ATOM 0 HG21 THR A 436 -21.754 3.806 -4.205 1.00 0.00 H new ATOM 0 HG22 THR A 436 -20.295 4.593 -4.850 1.00 0.00 H new ATOM 0 HG23 THR A 436 -21.604 4.107 -5.952 1.00 0.00 H new ATOM 229 N ALA A 437 -18.767 0.284 -5.565 1.00 0.00 N ATOM 230 CA ALA A 437 -18.134 -1.041 -5.605 1.00 0.00 C ATOM 231 C ALA A 437 -16.609 -0.950 -5.673 1.00 0.00 C ATOM 232 O ALA A 437 -16.044 0.086 -6.036 1.00 0.00 O ATOM 233 CB ALA A 437 -18.672 -1.861 -6.768 1.00 0.00 C ATOM 0 H ALA A 437 -19.270 0.475 -4.698 1.00 0.00 H new ATOM 0 HA ALA A 437 -18.388 -1.545 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -18.189 -2.838 -6.778 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -19.749 -1.989 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -18.464 -1.344 -7.705 1.00 0.00 H new ATOM 239 N GLY A 438 -15.944 -2.018 -5.264 1.00 0.00 N ATOM 240 CA GLY A 438 -14.498 -2.028 -5.271 1.00 0.00 C ATOM 241 C GLY A 438 -13.922 -3.332 -4.765 1.00 0.00 C ATOM 242 O GLY A 438 -14.338 -3.843 -3.721 1.00 0.00 O ATOM 0 H GLY A 438 -16.379 -2.877 -4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -14.142 -1.847 -6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -14.130 -1.209 -4.653 1.00 0.00 H new ATOM 246 N ALA A 439 -12.924 -3.839 -5.475 1.00 0.00 N ATOM 247 CA ALA A 439 -12.225 -5.048 -5.072 1.00 0.00 C ATOM 248 C ALA A 439 -10.853 -4.691 -4.510 1.00 0.00 C ATOM 249 O ALA A 439 -9.835 -5.261 -4.917 1.00 0.00 O ATOM 250 CB ALA A 439 -12.098 -6.005 -6.249 1.00 0.00 C ATOM 0 H ALA A 439 -12.579 -3.426 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 439 -12.799 -5.548 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -11.572 -6.905 -5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -13.091 -6.273 -6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -11.539 -5.523 -7.051 1.00 0.00 H new ATOM 256 N ASP A 440 -10.840 -3.683 -3.632 1.00 0.00 N ATOM 257 CA ASP A 440 -9.618 -3.153 -3.021 1.00 0.00 C ATOM 258 C ASP A 440 -8.793 -2.353 -4.023 1.00 0.00 C ATOM 259 O ASP A 440 -8.348 -2.877 -5.049 1.00 0.00 O ATOM 260 CB ASP A 440 -8.763 -4.270 -2.415 1.00 0.00 C ATOM 261 CG ASP A 440 -7.497 -3.744 -1.777 1.00 0.00 C ATOM 262 OD1 ASP A 440 -7.594 -2.998 -0.780 1.00 0.00 O ATOM 263 OD2 ASP A 440 -6.398 -4.074 -2.265 1.00 0.00 O ATOM 0 H ASP A 440 -11.687 -3.207 -3.322 1.00 0.00 H new ATOM 0 HA ASP A 440 -9.932 -2.484 -2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -9.348 -4.807 -1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -8.504 -4.988 -3.193 1.00 0.00 H new ATOM 268 N THR A 441 -8.576 -1.083 -3.711 1.00 0.00 N ATOM 269 CA THR A 441 -7.771 -0.225 -4.558 1.00 0.00 C ATOM 270 C THR A 441 -6.292 -0.563 -4.394 1.00 0.00 C ATOM 271 O THR A 441 -5.627 -0.965 -5.350 1.00 0.00 O ATOM 272 CB THR A 441 -7.999 1.264 -4.227 1.00 0.00 C ATOM 273 OG1 THR A 441 -9.404 1.532 -4.136 1.00 0.00 O ATOM 274 CG2 THR A 441 -7.378 2.162 -5.289 1.00 0.00 C ATOM 0 H THR A 441 -8.947 -0.628 -2.877 1.00 0.00 H new ATOM 0 HA THR A 441 -8.074 -0.398 -5.591 1.00 0.00 H new ATOM 0 HB THR A 441 -7.520 1.477 -3.271 1.00 0.00 H new ATOM 0 HG1 THR A 441 -9.543 2.479 -3.924 1.00 0.00 H new ATOM 0 HG21 THR A 441 -7.554 3.206 -5.031 1.00 0.00 H new ATOM 0 HG22 THR A 441 -6.305 1.976 -5.340 1.00 0.00 H new ATOM 0 HG23 THR A 441 -7.830 1.947 -6.257 1.00 0.00 H new ATOM 282 N THR A 442 -5.809 -0.486 -3.158 1.00 0.00 N ATOM 283 CA THR A 442 -4.432 -0.835 -2.837 1.00 0.00 C ATOM 284 C THR A 442 -4.283 -1.057 -1.331 1.00 0.00 C ATOM 285 O THR A 442 -4.420 -0.120 -0.541 1.00 0.00 O ATOM 286 CB THR A 442 -3.438 0.276 -3.266 1.00 0.00 C ATOM 287 OG1 THR A 442 -3.640 0.642 -4.640 1.00 0.00 O ATOM 288 CG2 THR A 442 -1.999 -0.183 -3.079 1.00 0.00 C ATOM 0 H THR A 442 -6.359 -0.181 -2.355 1.00 0.00 H new ATOM 0 HA THR A 442 -4.199 -1.747 -3.386 1.00 0.00 H new ATOM 0 HB THR A 442 -3.624 1.143 -2.633 1.00 0.00 H new ATOM 0 HG1 THR A 442 -4.072 -0.098 -5.116 1.00 0.00 H new ATOM 0 HG21 THR A 442 -1.320 0.613 -3.386 1.00 0.00 H new ATOM 0 HG22 THR A 442 -1.827 -0.422 -2.029 1.00 0.00 H new ATOM 0 HG23 THR A 442 -1.818 -1.069 -3.687 1.00 0.00 H new ATOM 296 N ALA A 443 -3.974 -2.282 -0.937 1.00 0.00 N ATOM 297 CA ALA A 443 -3.743 -2.583 0.463 1.00 0.00 C ATOM 298 C ALA A 443 -2.357 -2.112 0.871 1.00 0.00 C ATOM 299 O ALA A 443 -1.372 -2.389 0.181 1.00 0.00 O ATOM 300 CB ALA A 443 -3.903 -4.068 0.732 1.00 0.00 C ATOM 0 H ALA A 443 -3.878 -3.080 -1.565 1.00 0.00 H new ATOM 0 HA ALA A 443 -4.486 -2.054 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -3.725 -4.268 1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -4.914 -4.378 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -3.185 -4.626 0.131 1.00 0.00 H new ATOM 306 N GLU A 444 -2.286 -1.336 1.936 1.00 0.00 N ATOM 307 CA GLU A 444 -1.027 -0.768 2.387 1.00 0.00 C ATOM 308 C GLU A 444 -0.189 -1.799 3.146 1.00 0.00 C ATOM 309 O GLU A 444 0.057 -1.660 4.342 1.00 0.00 O ATOM 310 CB GLU A 444 -1.288 0.475 3.235 1.00 0.00 C ATOM 311 CG GLU A 444 -1.889 1.618 2.430 1.00 0.00 C ATOM 312 CD GLU A 444 -2.489 2.704 3.296 1.00 0.00 C ATOM 313 OE1 GLU A 444 -3.399 2.398 4.094 1.00 0.00 O ATOM 314 OE2 GLU A 444 -2.076 3.875 3.163 1.00 0.00 O ATOM 0 H GLU A 444 -3.091 -1.083 2.509 1.00 0.00 H new ATOM 0 HA GLU A 444 -0.449 -0.472 1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -1.962 0.218 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -0.352 0.806 3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -1.117 2.053 1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -2.659 1.222 1.768 1.00 0.00 H new ATOM 321 N LYS A 445 0.280 -2.808 2.415 1.00 0.00 N ATOM 322 CA LYS A 445 1.149 -3.850 2.968 1.00 0.00 C ATOM 323 C LYS A 445 2.513 -3.265 3.304 1.00 0.00 C ATOM 324 O LYS A 445 3.358 -3.915 3.921 1.00 0.00 O ATOM 325 CB LYS A 445 1.332 -4.978 1.952 1.00 0.00 C ATOM 326 CG LYS A 445 0.034 -5.580 1.441 1.00 0.00 C ATOM 327 CD LYS A 445 0.287 -6.548 0.295 1.00 0.00 C ATOM 328 CE LYS A 445 1.175 -7.707 0.719 1.00 0.00 C ATOM 329 NZ LYS A 445 1.489 -8.607 -0.421 1.00 0.00 N ATOM 0 H LYS A 445 0.070 -2.928 1.424 1.00 0.00 H new ATOM 0 HA LYS A 445 0.684 -4.244 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 445 1.900 -4.597 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 445 1.930 -5.767 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 445 -0.473 -6.100 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 445 -0.632 -4.784 1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 445 -0.664 -6.934 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 445 0.755 -6.016 -0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 445 2.102 -7.319 1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 445 0.679 -8.276 1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 2.214 -9.294 -0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 0.628 -9.114 -0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 1.845 -8.044 -1.220 1.00 0.00 H new ATOM 343 N CYS A 446 2.753 -2.085 2.761 1.00 0.00 N ATOM 344 CA CYS A 446 4.034 -1.418 2.864 1.00 0.00 C ATOM 345 C CYS A 446 3.874 0.026 2.425 1.00 0.00 C ATOM 346 O CYS A 446 4.560 0.925 2.908 1.00 0.00 O ATOM 347 CB CYS A 446 5.060 -2.129 1.989 1.00 0.00 C ATOM 348 SG CYS A 446 4.591 -2.248 0.230 1.00 0.00 S ATOM 0 H CYS A 446 2.057 -1.560 2.232 1.00 0.00 H new ATOM 0 HA CYS A 446 4.384 -1.445 3.896 1.00 0.00 H new ATOM 0 HB2 CYS A 446 6.012 -1.603 2.065 1.00 0.00 H new ATOM 0 HB3 CYS A 446 5.219 -3.134 2.379 1.00 0.00 H new ATOM 353 N LYS A 447 2.948 0.214 1.489 1.00 0.00 N ATOM 354 CA LYS A 447 2.623 1.523 0.933 1.00 0.00 C ATOM 355 C LYS A 447 2.522 2.592 2.019 1.00 0.00 C ATOM 356 O LYS A 447 1.734 2.469 2.962 1.00 0.00 O ATOM 357 CB LYS A 447 1.306 1.418 0.158 1.00 0.00 C ATOM 358 CG LYS A 447 0.785 2.739 -0.375 1.00 0.00 C ATOM 359 CD LYS A 447 -0.487 2.535 -1.178 1.00 0.00 C ATOM 360 CE LYS A 447 -1.079 3.856 -1.639 1.00 0.00 C ATOM 361 NZ LYS A 447 -1.603 4.661 -0.507 1.00 0.00 N ATOM 0 H LYS A 447 2.397 -0.546 1.091 1.00 0.00 H new ATOM 0 HA LYS A 447 3.427 1.827 0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 447 1.444 0.732 -0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.550 0.979 0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.591 3.419 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 447 1.544 3.208 -1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -0.274 1.910 -2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -1.218 2.000 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -0.317 4.429 -2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -1.883 3.664 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -2.159 5.458 -0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -2.209 4.064 0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.809 5.025 0.057 1.00 0.00 H new ATOM 375 N GLY A 448 3.363 3.611 1.909 1.00 0.00 N ATOM 376 CA GLY A 448 3.393 4.658 2.907 1.00 0.00 C ATOM 377 C GLY A 448 4.725 4.729 3.624 1.00 0.00 C ATOM 378 O GLY A 448 5.158 5.808 4.029 1.00 0.00 O ATOM 0 H GLY A 448 4.026 3.730 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 448 3.187 5.617 2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 448 2.600 4.487 3.635 1.00 0.00 H new ATOM 382 N LYS A 449 5.364 3.576 3.794 1.00 0.00 N ATOM 383 CA LYS A 449 6.653 3.493 4.479 1.00 0.00 C ATOM 384 C LYS A 449 7.727 4.290 3.759 1.00 0.00 C ATOM 385 O LYS A 449 7.673 4.473 2.539 1.00 0.00 O ATOM 386 CB LYS A 449 7.096 2.036 4.606 1.00 0.00 C ATOM 387 CG LYS A 449 6.248 1.239 5.573 1.00 0.00 C ATOM 388 CD LYS A 449 6.456 -0.256 5.408 1.00 0.00 C ATOM 389 CE LYS A 449 7.716 -0.743 6.099 1.00 0.00 C ATOM 390 NZ LYS A 449 7.598 -0.656 7.577 1.00 0.00 N ATOM 0 H LYS A 449 5.008 2.679 3.465 1.00 0.00 H new ATOM 0 HA LYS A 449 6.520 3.923 5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 449 7.057 1.564 3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 449 8.135 2.006 4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 449 6.493 1.529 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 449 5.196 1.479 5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 449 5.594 -0.787 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 449 6.510 -0.498 4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 449 7.915 -1.775 5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 449 8.567 -0.149 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 8.320 -1.260 8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 7.739 0.329 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 6.653 -0.976 7.869 1.00 0.00 H new ATOM 404 N GLY A 450 8.708 4.740 4.525 1.00 0.00 N ATOM 405 CA GLY A 450 9.821 5.484 3.963 1.00 0.00 C ATOM 406 C GLY A 450 10.771 4.590 3.191 1.00 0.00 C ATOM 407 O GLY A 450 10.659 3.369 3.259 1.00 0.00 O ATOM 0 H GLY A 450 8.755 4.603 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.440 6.263 3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.365 5.984 4.765 1.00 0.00 H new ATOM 411 N GLU A 451 11.661 5.197 2.412 1.00 0.00 N ATOM 412 CA GLU A 451 12.585 4.446 1.563 1.00 0.00 C ATOM 413 C GLU A 451 13.400 3.439 2.367 1.00 0.00 C ATOM 414 O GLU A 451 13.506 2.272 1.985 1.00 0.00 O ATOM 415 CB GLU A 451 13.530 5.398 0.831 1.00 0.00 C ATOM 416 CG GLU A 451 14.476 4.688 -0.124 1.00 0.00 C ATOM 417 CD GLU A 451 15.398 5.637 -0.856 1.00 0.00 C ATOM 418 OE1 GLU A 451 15.332 6.855 -0.606 1.00 0.00 O ATOM 419 OE2 GLU A 451 16.205 5.164 -1.685 1.00 0.00 O ATOM 0 H GLU A 451 11.763 6.210 2.350 1.00 0.00 H new ATOM 0 HA GLU A 451 11.984 3.897 0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 451 12.941 6.127 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.114 5.954 1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 451 15.074 3.967 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 451 13.893 4.123 -0.851 1.00 0.00 H new ATOM 426 N LYS A 452 14.015 3.899 3.449 1.00 0.00 N ATOM 427 CA LYS A 452 14.846 3.039 4.265 1.00 0.00 C ATOM 428 C LYS A 452 14.019 1.928 4.895 1.00 0.00 C ATOM 429 O LYS A 452 14.442 0.773 4.937 1.00 0.00 O ATOM 430 CB LYS A 452 15.535 3.851 5.354 1.00 0.00 C ATOM 431 CG LYS A 452 16.916 3.334 5.672 1.00 0.00 C ATOM 432 CD LYS A 452 17.536 4.059 6.851 1.00 0.00 C ATOM 433 CE LYS A 452 18.915 3.507 7.177 1.00 0.00 C ATOM 434 NZ LYS A 452 18.871 2.080 7.598 1.00 0.00 N ATOM 0 H LYS A 452 13.951 4.863 3.777 1.00 0.00 H new ATOM 0 HA LYS A 452 15.602 2.588 3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 452 15.604 4.892 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 452 14.926 3.832 6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 452 16.863 2.267 5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 452 17.557 3.449 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 452 17.612 5.123 6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 452 16.888 3.962 7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 452 19.558 3.605 6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 452 19.363 4.104 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 19.785 1.813 8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 18.117 1.949 8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 18.680 1.480 6.770 1.00 0.00 H new ATOM 448 N ASP A 453 12.848 2.291 5.390 1.00 0.00 N ATOM 449 CA ASP A 453 11.960 1.335 6.039 1.00 0.00 C ATOM 450 C ASP A 453 11.429 0.319 5.029 1.00 0.00 C ATOM 451 O ASP A 453 11.375 -0.880 5.305 1.00 0.00 O ATOM 452 CB ASP A 453 10.797 2.070 6.700 1.00 0.00 C ATOM 453 CG ASP A 453 10.066 1.215 7.711 1.00 0.00 C ATOM 454 OD1 ASP A 453 10.603 0.168 8.118 1.00 0.00 O ATOM 455 OD2 ASP A 453 8.951 1.600 8.119 1.00 0.00 O ATOM 0 H ASP A 453 12.487 3.244 5.356 1.00 0.00 H new ATOM 0 HA ASP A 453 12.526 0.800 6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 453 11.172 2.967 7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 453 10.096 2.397 5.932 1.00 0.00 H new ATOM 460 N CYS A 454 11.049 0.818 3.857 1.00 0.00 N ATOM 461 CA CYS A 454 10.555 -0.018 2.766 1.00 0.00 C ATOM 462 C CYS A 454 11.624 -1.018 2.344 1.00 0.00 C ATOM 463 O CYS A 454 12.551 -0.670 1.613 1.00 0.00 O ATOM 464 CB CYS A 454 10.175 0.859 1.569 1.00 0.00 C ATOM 465 SG CYS A 454 9.165 0.018 0.307 1.00 0.00 S ATOM 0 H CYS A 454 11.074 1.813 3.636 1.00 0.00 H new ATOM 0 HA CYS A 454 9.675 -0.561 3.112 1.00 0.00 H new ATOM 0 HB2 CYS A 454 9.629 1.730 1.932 1.00 0.00 H new ATOM 0 HB3 CYS A 454 11.088 1.227 1.100 1.00 0.00 H new ATOM 470 N LYS A 455 11.417 -2.274 2.728 1.00 0.00 N ATOM 471 CA LYS A 455 12.300 -3.381 2.362 1.00 0.00 C ATOM 472 C LYS A 455 11.600 -4.675 2.645 1.00 0.00 C ATOM 473 O LYS A 455 12.192 -5.643 3.121 1.00 0.00 O ATOM 474 CB LYS A 455 13.616 -3.393 3.139 1.00 0.00 C ATOM 475 CG LYS A 455 14.638 -2.363 2.687 1.00 0.00 C ATOM 476 CD LYS A 455 15.064 -2.598 1.247 1.00 0.00 C ATOM 477 CE LYS A 455 15.911 -1.451 0.728 1.00 0.00 C ATOM 478 NZ LYS A 455 15.140 -0.181 0.663 1.00 0.00 N ATOM 0 H LYS A 455 10.626 -2.556 3.307 1.00 0.00 H new ATOM 0 HA LYS A 455 12.534 -3.253 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 455 13.399 -3.228 4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 455 14.061 -4.385 3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 455 14.216 -1.363 2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 455 15.511 -2.405 3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 455 15.628 -3.529 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 455 14.181 -2.714 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 455 16.778 -1.317 1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 455 16.289 -1.698 -0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 15.190 0.207 -0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 14.147 -0.365 0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 15.543 0.504 1.333 1.00 0.00 H new ATOM 492 N SER A 456 10.358 -4.707 2.276 1.00 0.00 N ATOM 493 CA SER A 456 9.591 -5.912 2.394 1.00 0.00 C ATOM 494 C SER A 456 10.060 -6.898 1.344 1.00 0.00 C ATOM 495 O SER A 456 10.196 -6.540 0.176 1.00 0.00 O ATOM 496 CB SER A 456 8.104 -5.592 2.284 1.00 0.00 C ATOM 497 OG SER A 456 7.718 -4.678 3.296 1.00 0.00 O ATOM 0 H SER A 456 9.850 -3.911 1.889 1.00 0.00 H new ATOM 0 HA SER A 456 9.741 -6.372 3.371 1.00 0.00 H new ATOM 0 HB2 SER A 456 7.888 -5.170 1.303 1.00 0.00 H new ATOM 0 HB3 SER A 456 7.521 -6.509 2.372 1.00 0.00 H new ATOM 0 HG SER A 456 6.762 -4.481 3.211 1.00 0.00 H new ATOM 503 N PRO A 457 10.251 -8.177 1.732 1.00 0.00 N ATOM 504 CA PRO A 457 10.610 -9.253 0.800 1.00 0.00 C ATOM 505 C PRO A 457 9.408 -9.609 -0.051 1.00 0.00 C ATOM 506 O PRO A 457 9.247 -10.731 -0.534 1.00 0.00 O ATOM 507 CB PRO A 457 10.983 -10.407 1.725 1.00 0.00 C ATOM 508 CG PRO A 457 10.165 -10.180 2.948 1.00 0.00 C ATOM 509 CD PRO A 457 10.023 -8.687 3.093 1.00 0.00 C ATOM 0 HA PRO A 457 11.414 -8.991 0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 457 10.757 -11.371 1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 457 12.049 -10.405 1.954 1.00 0.00 H new ATOM 0 HG2 PRO A 457 9.189 -10.656 2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 457 10.649 -10.611 3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 457 9.034 -8.413 3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 457 10.749 -8.283 3.798 1.00 0.00 H new ATOM 517 N ASP A 458 8.548 -8.624 -0.154 1.00 0.00 N ATOM 518 CA ASP A 458 7.284 -8.729 -0.842 1.00 0.00 C ATOM 519 C ASP A 458 6.933 -7.372 -1.435 1.00 0.00 C ATOM 520 O ASP A 458 6.277 -7.290 -2.468 1.00 0.00 O ATOM 521 CB ASP A 458 6.194 -9.172 0.137 1.00 0.00 C ATOM 522 CG ASP A 458 4.897 -9.570 -0.542 1.00 0.00 C ATOM 523 OD1 ASP A 458 4.905 -9.845 -1.760 1.00 0.00 O ATOM 524 OD2 ASP A 458 3.868 -9.655 0.156 1.00 0.00 O ATOM 0 H ASP A 458 8.713 -7.702 0.250 1.00 0.00 H new ATOM 0 HA ASP A 458 7.357 -9.469 -1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 458 6.562 -10.015 0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 458 5.994 -8.361 0.838 1.00 0.00 H new ATOM 529 N CYS A 459 7.422 -6.295 -0.806 1.00 0.00 N ATOM 530 CA CYS A 459 7.165 -4.954 -1.337 1.00 0.00 C ATOM 531 C CYS A 459 8.230 -4.552 -2.340 1.00 0.00 C ATOM 532 O CYS A 459 9.119 -5.336 -2.681 1.00 0.00 O ATOM 533 CB CYS A 459 7.069 -3.900 -0.225 1.00 0.00 C ATOM 534 SG CYS A 459 6.373 -2.305 -0.739 1.00 0.00 S ATOM 0 H CYS A 459 7.982 -6.324 0.046 1.00 0.00 H new ATOM 0 HA CYS A 459 6.200 -4.997 -1.841 1.00 0.00 H new ATOM 0 HB2 CYS A 459 6.459 -4.302 0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 459 8.066 -3.730 0.181 1.00 0.00 H new ATOM 539 N LYS A 460 8.129 -3.316 -2.782 1.00 0.00 N ATOM 540 CA LYS A 460 9.039 -2.750 -3.771 1.00 0.00 C ATOM 541 C LYS A 460 9.028 -1.231 -3.692 1.00 0.00 C ATOM 542 O LYS A 460 7.964 -0.612 -3.673 1.00 0.00 O ATOM 543 CB LYS A 460 8.632 -3.181 -5.186 1.00 0.00 C ATOM 544 CG LYS A 460 9.230 -4.510 -5.633 1.00 0.00 C ATOM 545 CD LYS A 460 10.715 -4.383 -5.927 1.00 0.00 C ATOM 546 CE LYS A 460 10.976 -3.463 -7.112 1.00 0.00 C ATOM 547 NZ LYS A 460 10.439 -4.018 -8.380 1.00 0.00 N ATOM 0 H LYS A 460 7.409 -2.666 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 460 10.042 -3.119 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.545 -3.251 -5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 460 8.933 -2.405 -5.890 1.00 0.00 H new ATOM 0 HG2 LYS A 460 9.075 -5.259 -4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 460 8.711 -4.862 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 460 11.229 -3.998 -5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 460 11.131 -5.369 -6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 460 10.522 -2.490 -6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 460 12.049 -3.300 -7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 10.810 -3.471 -9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 10.730 -5.012 -8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 9.401 -3.961 -8.372 1.00 0.00 H new ATOM 561 N TRP A 461 10.209 -0.634 -3.725 1.00 0.00 N ATOM 562 CA TRP A 461 10.316 0.814 -3.766 1.00 0.00 C ATOM 563 C TRP A 461 10.227 1.276 -5.210 1.00 0.00 C ATOM 564 O TRP A 461 11.002 0.826 -6.057 1.00 0.00 O ATOM 565 CB TRP A 461 11.637 1.280 -3.151 1.00 0.00 C ATOM 566 CG TRP A 461 11.675 2.751 -2.871 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.453 3.693 -3.481 1.00 0.00 C ATOM 568 CD2 TRP A 461 10.909 3.447 -1.883 1.00 0.00 C ATOM 569 NE1 TRP A 461 12.208 4.931 -2.937 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.264 4.803 -1.954 1.00 0.00 C ATOM 571 CE3 TRP A 461 9.956 3.053 -0.948 1.00 0.00 C ATOM 572 CZ2 TRP A 461 10.693 5.763 -1.122 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.393 4.007 -0.125 1.00 0.00 C ATOM 574 CH2 TRP A 461 9.763 5.347 -0.216 1.00 0.00 C ATOM 0 H TRP A 461 11.102 -1.127 -3.724 1.00 0.00 H new ATOM 0 HA TRP A 461 9.501 1.247 -3.186 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.809 0.736 -2.222 1.00 0.00 H new ATOM 0 HB3 TRP A 461 12.454 1.025 -3.826 1.00 0.00 H new ATOM 0 HD1 TRP A 461 13.158 3.494 -4.275 1.00 0.00 H new ATOM 0 HE1 TRP A 461 12.656 5.803 -3.219 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.662 2.017 -0.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 10.978 6.802 -1.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 8.652 3.709 0.603 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.305 6.069 0.443 1.00 0.00 H new ATOM 585 N GLU A 462 9.263 2.131 -5.510 1.00 0.00 N ATOM 586 CA GLU A 462 9.078 2.595 -6.875 1.00 0.00 C ATOM 587 C GLU A 462 8.352 3.929 -6.900 1.00 0.00 C ATOM 588 O GLU A 462 7.309 4.089 -6.272 1.00 0.00 O ATOM 589 CB GLU A 462 8.290 1.564 -7.687 1.00 0.00 C ATOM 590 CG GLU A 462 8.294 1.842 -9.181 1.00 0.00 C ATOM 591 CD GLU A 462 7.426 0.882 -9.963 1.00 0.00 C ATOM 592 OE1 GLU A 462 6.659 0.115 -9.343 1.00 0.00 O ATOM 593 OE2 GLU A 462 7.490 0.907 -11.211 1.00 0.00 O ATOM 0 H GLU A 462 8.602 2.515 -4.834 1.00 0.00 H new ATOM 0 HA GLU A 462 10.064 2.725 -7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 462 8.709 0.574 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 462 7.260 1.543 -7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 462 7.948 2.861 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 462 9.317 1.784 -9.553 1.00 0.00 H new ATOM 600 N GLY A 463 8.912 4.880 -7.636 1.00 0.00 N ATOM 601 CA GLY A 463 8.308 6.195 -7.751 1.00 0.00 C ATOM 602 C GLY A 463 8.311 6.945 -6.437 1.00 0.00 C ATOM 603 O GLY A 463 7.375 7.686 -6.132 1.00 0.00 O ATOM 0 H GLY A 463 9.780 4.764 -8.159 1.00 0.00 H new ATOM 0 HA2 GLY A 463 8.847 6.776 -8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 463 7.282 6.092 -8.105 1.00 0.00 H new ATOM 607 N GLY A 464 9.381 6.769 -5.672 1.00 0.00 N ATOM 608 CA GLY A 464 9.516 7.447 -4.397 1.00 0.00 C ATOM 609 C GLY A 464 8.410 7.087 -3.426 1.00 0.00 C ATOM 610 O GLY A 464 7.996 7.913 -2.611 1.00 0.00 O ATOM 0 H GLY A 464 10.165 6.163 -5.915 1.00 0.00 H new ATOM 0 HA2 GLY A 464 10.479 7.193 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.514 8.525 -4.561 1.00 0.00 H new ATOM 614 N THR A 465 7.938 5.851 -3.494 1.00 0.00 N ATOM 615 CA THR A 465 6.880 5.397 -2.612 1.00 0.00 C ATOM 616 C THR A 465 6.885 3.875 -2.492 1.00 0.00 C ATOM 617 O THR A 465 7.216 3.157 -3.440 1.00 0.00 O ATOM 618 CB THR A 465 5.488 5.895 -3.078 1.00 0.00 C ATOM 619 OG1 THR A 465 4.496 5.596 -2.085 1.00 0.00 O ATOM 620 CG2 THR A 465 5.082 5.269 -4.406 1.00 0.00 C ATOM 0 H THR A 465 8.273 5.147 -4.152 1.00 0.00 H new ATOM 0 HA THR A 465 7.076 5.826 -1.629 1.00 0.00 H new ATOM 0 HB THR A 465 5.557 6.974 -3.217 1.00 0.00 H new ATOM 0 HG1 THR A 465 3.621 5.917 -2.389 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.101 5.643 -4.699 1.00 0.00 H new ATOM 0 HG22 THR A 465 5.814 5.531 -5.170 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.041 4.185 -4.300 1.00 0.00 H new ATOM 628 N CYS A 466 6.599 3.406 -1.291 1.00 0.00 N ATOM 629 CA CYS A 466 6.559 1.988 -0.993 1.00 0.00 C ATOM 630 C CYS A 466 5.230 1.434 -1.491 1.00 0.00 C ATOM 631 O CYS A 466 4.218 2.135 -1.412 1.00 0.00 O ATOM 632 CB CYS A 466 6.704 1.791 0.520 1.00 0.00 C ATOM 633 SG CYS A 466 7.277 0.142 1.036 1.00 0.00 S ATOM 0 H CYS A 466 6.387 4.002 -0.491 1.00 0.00 H new ATOM 0 HA CYS A 466 7.374 1.460 -1.487 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.402 2.536 0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 466 5.740 1.986 0.990 1.00 0.00 H new ATOM 638 N LYS A 467 5.226 0.216 -2.037 1.00 0.00 N ATOM 639 CA LYS A 467 4.004 -0.370 -2.587 1.00 0.00 C ATOM 640 C LYS A 467 4.274 -1.742 -3.191 1.00 0.00 C ATOM 641 O LYS A 467 5.261 -1.940 -3.906 1.00 0.00 O ATOM 642 CB LYS A 467 3.381 0.543 -3.658 1.00 0.00 C ATOM 643 CG LYS A 467 4.251 0.744 -4.891 1.00 0.00 C ATOM 644 CD LYS A 467 3.578 1.661 -5.900 1.00 0.00 C ATOM 645 CE LYS A 467 4.371 1.745 -7.195 1.00 0.00 C ATOM 646 NZ LYS A 467 4.415 0.440 -7.907 1.00 0.00 N ATOM 0 H LYS A 467 6.051 -0.380 -2.110 1.00 0.00 H new ATOM 0 HA LYS A 467 3.302 -0.478 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 467 2.425 0.121 -3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 467 3.171 1.516 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 467 5.211 1.167 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 467 4.457 -0.221 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 467 2.573 1.296 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 467 3.472 2.658 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 467 3.925 2.498 -7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 467 5.387 2.074 -6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 5.405 0.157 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 3.929 -0.282 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 3.942 0.531 -8.828 1.00 0.00 H new ATOM 660 N ASP A 468 3.371 -2.673 -2.935 1.00 0.00 N ATOM 661 CA ASP A 468 3.444 -3.997 -3.536 1.00 0.00 C ATOM 662 C ASP A 468 2.836 -3.954 -4.936 1.00 0.00 C ATOM 663 O ASP A 468 1.603 -3.777 -5.046 1.00 0.00 O ATOM 664 CB ASP A 468 2.702 -5.014 -2.664 1.00 0.00 C ATOM 665 CG ASP A 468 2.721 -6.422 -3.234 1.00 0.00 C ATOM 666 OD1 ASP A 468 3.441 -6.677 -4.223 1.00 0.00 O ATOM 667 OD2 ASP A 468 2.008 -7.292 -2.686 1.00 0.00 O ATOM 668 OXT ASP A 468 3.590 -4.063 -5.924 1.00 0.00 O ATOM 0 H ASP A 468 2.575 -2.537 -2.312 1.00 0.00 H new ATOM 0 HA ASP A 468 4.488 -4.303 -3.609 1.00 0.00 H new ATOM 0 HB2 ASP A 468 3.150 -5.026 -1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 468 1.668 -4.692 -2.543 1.00 0.00 H new TER 673 ASP A 468