USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 373 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 NoAdj-H: A 431 HIS HE2 : A 431 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 436 HIS HE2 : A 436 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 411 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0364) USER MOD Set 1.2: A 423 SER OG : rot 180:sc= -0.252 USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 408 SER OG : rot 50:sc= 0.866 USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-3.3!) USER MOD Single : A 429 ASN : amide:sc= -4.13 K(o=-4.1,f=-7.3!) USER MOD Single : A 433 LYS NZ :NH3+ 163:sc= -1.26 (180deg=-1.96!) USER MOD Single : A 434 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.086) USER MOD Single : A 437 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 SER OG : rot 41:sc= 0.0633 USER MOD Single : A 442 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 CYS SG : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 452 SER OG : rot -45:sc= 0.908 USER MOD Single : A 453 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 401 7.368 26.988 2.400 1.00 0.00 N ATOM 2 CA GLY A 401 8.240 25.920 1.947 1.00 0.00 C ATOM 3 C GLY A 401 8.307 24.769 2.931 1.00 0.00 C ATOM 4 O GLY A 401 7.801 24.869 4.049 1.00 0.00 O ATOM 0 HA2 GLY A 401 7.887 25.551 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 401 9.243 26.317 1.788 1.00 0.00 H new ATOM 8 N SER A 402 8.931 23.672 2.515 1.00 0.00 N ATOM 9 CA SER A 402 9.057 22.495 3.367 1.00 0.00 C ATOM 10 C SER A 402 9.954 21.447 2.716 1.00 0.00 C ATOM 11 O SER A 402 10.130 21.435 1.497 1.00 0.00 O ATOM 12 CB SER A 402 7.679 21.896 3.653 1.00 0.00 C ATOM 13 OG SER A 402 7.750 20.918 4.676 1.00 0.00 O ATOM 0 H SER A 402 9.357 23.573 1.594 1.00 0.00 H new ATOM 0 HA SER A 402 9.513 22.805 4.307 1.00 0.00 H new ATOM 0 HB2 SER A 402 6.990 22.687 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 402 7.278 21.447 2.744 1.00 0.00 H new ATOM 0 HG SER A 402 6.856 20.552 4.841 1.00 0.00 H new ATOM 19 N SER A 403 10.519 20.568 3.537 1.00 0.00 N ATOM 20 CA SER A 403 11.401 19.517 3.043 1.00 0.00 C ATOM 21 C SER A 403 10.612 18.460 2.276 1.00 0.00 C ATOM 22 O SER A 403 10.070 17.526 2.865 1.00 0.00 O ATOM 23 CB SER A 403 12.154 18.865 4.204 1.00 0.00 C ATOM 24 OG SER A 403 13.213 19.692 4.654 1.00 0.00 O ATOM 0 H SER A 403 10.382 20.563 4.548 1.00 0.00 H new ATOM 0 HA SER A 403 12.121 19.972 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 403 11.465 18.672 5.026 1.00 0.00 H new ATOM 0 HB3 SER A 403 12.551 17.900 3.888 1.00 0.00 H new ATOM 0 HG SER A 403 13.677 19.253 5.397 1.00 0.00 H new ATOM 30 N GLY A 404 10.551 18.617 0.957 1.00 0.00 N ATOM 31 CA GLY A 404 9.825 17.671 0.130 1.00 0.00 C ATOM 32 C GLY A 404 10.681 17.097 -0.982 1.00 0.00 C ATOM 33 O GLY A 404 11.290 17.840 -1.752 1.00 0.00 O ATOM 0 H GLY A 404 10.991 19.382 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 404 9.453 16.859 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 404 8.955 18.165 -0.303 1.00 0.00 H new ATOM 37 N SER A 405 10.730 15.772 -1.065 1.00 0.00 N ATOM 38 CA SER A 405 11.523 15.099 -2.088 1.00 0.00 C ATOM 39 C SER A 405 11.158 13.620 -2.172 1.00 0.00 C ATOM 40 O SER A 405 11.476 12.839 -1.275 1.00 0.00 O ATOM 41 CB SER A 405 13.015 15.251 -1.789 1.00 0.00 C ATOM 42 OG SER A 405 13.790 14.394 -2.609 1.00 0.00 O ATOM 0 H SER A 405 10.230 15.143 -0.437 1.00 0.00 H new ATOM 0 HA SER A 405 11.303 15.565 -3.048 1.00 0.00 H new ATOM 0 HB2 SER A 405 13.318 16.286 -1.951 1.00 0.00 H new ATOM 0 HB3 SER A 405 13.204 15.024 -0.740 1.00 0.00 H new ATOM 0 HG SER A 405 14.740 14.512 -2.399 1.00 0.00 H new ATOM 48 N SER A 406 10.488 13.243 -3.256 1.00 0.00 N ATOM 49 CA SER A 406 10.075 11.859 -3.457 1.00 0.00 C ATOM 50 C SER A 406 10.346 11.414 -4.892 1.00 0.00 C ATOM 51 O SER A 406 9.973 12.096 -5.846 1.00 0.00 O ATOM 52 CB SER A 406 8.589 11.695 -3.132 1.00 0.00 C ATOM 53 OG SER A 406 8.164 10.360 -3.348 1.00 0.00 O ATOM 0 H SER A 406 10.219 13.877 -4.009 1.00 0.00 H new ATOM 0 HA SER A 406 10.658 11.231 -2.784 1.00 0.00 H new ATOM 0 HB2 SER A 406 8.408 11.974 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 406 8.001 12.372 -3.752 1.00 0.00 H new ATOM 0 HG SER A 406 7.211 10.281 -3.132 1.00 0.00 H new ATOM 59 N GLY A 407 10.998 10.264 -5.035 1.00 0.00 N ATOM 60 CA GLY A 407 11.309 9.747 -6.355 1.00 0.00 C ATOM 61 C GLY A 407 11.021 8.264 -6.479 1.00 0.00 C ATOM 62 O GLY A 407 11.279 7.495 -5.554 1.00 0.00 O ATOM 0 H GLY A 407 11.316 9.681 -4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 407 10.729 10.290 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 407 12.361 9.929 -6.575 1.00 0.00 H new ATOM 66 N SER A 408 10.483 7.862 -7.626 1.00 0.00 N ATOM 67 CA SER A 408 10.154 6.461 -7.866 1.00 0.00 C ATOM 68 C SER A 408 11.356 5.710 -8.432 1.00 0.00 C ATOM 69 O SER A 408 11.509 5.587 -9.647 1.00 0.00 O ATOM 70 CB SER A 408 8.970 6.351 -8.829 1.00 0.00 C ATOM 71 OG SER A 408 9.276 6.936 -10.083 1.00 0.00 O ATOM 0 H SER A 408 10.266 8.486 -8.403 1.00 0.00 H new ATOM 0 HA SER A 408 9.881 6.009 -6.913 1.00 0.00 H new ATOM 0 HB2 SER A 408 8.707 5.302 -8.968 1.00 0.00 H new ATOM 0 HB3 SER A 408 8.099 6.844 -8.397 1.00 0.00 H new ATOM 0 HG SER A 408 10.133 6.587 -10.407 1.00 0.00 H new ATOM 77 N VAL A 409 12.206 5.210 -7.541 1.00 0.00 N ATOM 78 CA VAL A 409 13.394 4.470 -7.950 1.00 0.00 C ATOM 79 C VAL A 409 13.180 2.967 -7.811 1.00 0.00 C ATOM 80 O VAL A 409 13.441 2.386 -6.759 1.00 0.00 O ATOM 81 CB VAL A 409 14.624 4.881 -7.119 1.00 0.00 C ATOM 82 CG1 VAL A 409 15.843 4.072 -7.535 1.00 0.00 C ATOM 83 CG2 VAL A 409 14.889 6.372 -7.262 1.00 0.00 C ATOM 0 H VAL A 409 12.094 5.304 -6.531 1.00 0.00 H new ATOM 0 HA VAL A 409 13.574 4.713 -8.997 1.00 0.00 H new ATOM 0 HB VAL A 409 14.419 4.671 -6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 409 16.703 4.376 -6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 409 15.647 3.012 -7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 409 16.054 4.248 -8.590 1.00 0.00 H new ATOM 0 HG21 VAL A 409 15.761 6.645 -6.668 1.00 0.00 H new ATOM 0 HG22 VAL A 409 15.074 6.610 -8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 409 14.022 6.931 -6.911 1.00 0.00 H new ATOM 93 N GLY A 410 12.702 2.341 -8.883 1.00 0.00 N ATOM 94 CA GLY A 410 12.461 0.911 -8.861 1.00 0.00 C ATOM 95 C GLY A 410 11.185 0.526 -9.583 1.00 0.00 C ATOM 96 O GLY A 410 11.214 0.153 -10.756 1.00 0.00 O ATOM 0 H GLY A 410 12.478 2.800 -9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 410 13.304 0.397 -9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 410 12.406 0.571 -7.827 1.00 0.00 H new ATOM 100 N LYS A 411 10.060 0.615 -8.882 1.00 0.00 N ATOM 101 CA LYS A 411 8.766 0.274 -9.462 1.00 0.00 C ATOM 102 C LYS A 411 8.228 1.425 -10.306 1.00 0.00 C ATOM 103 O LYS A 411 8.043 2.544 -9.827 1.00 0.00 O ATOM 104 CB LYS A 411 7.765 -0.076 -8.359 1.00 0.00 C ATOM 105 CG LYS A 411 7.934 -1.481 -7.808 1.00 0.00 C ATOM 106 CD LYS A 411 8.978 -1.526 -6.705 1.00 0.00 C ATOM 107 CE LYS A 411 9.221 -2.949 -6.226 1.00 0.00 C ATOM 108 NZ LYS A 411 8.033 -3.509 -5.525 1.00 0.00 N ATOM 0 H LYS A 411 10.018 0.921 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 411 8.903 -0.594 -10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 411 7.870 0.640 -7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 411 6.753 0.033 -8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 411 6.980 -1.838 -7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 411 8.225 -2.156 -8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 411 9.912 -1.099 -7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 411 8.651 -0.910 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 411 9.471 -3.581 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.080 -2.964 -5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 8.267 -4.447 -5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 7.758 -2.875 -4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 7.244 -3.597 -6.196 1.00 0.00 H new ATOM 122 N PRO A 412 7.969 1.146 -11.592 1.00 0.00 N ATOM 123 CA PRO A 412 7.445 2.145 -12.529 1.00 0.00 C ATOM 124 C PRO A 412 6.003 2.530 -12.219 1.00 0.00 C ATOM 125 O PRO A 412 5.659 3.712 -12.185 1.00 0.00 O ATOM 126 CB PRO A 412 7.532 1.440 -13.884 1.00 0.00 C ATOM 127 CG PRO A 412 7.478 -0.013 -13.560 1.00 0.00 C ATOM 128 CD PRO A 412 8.165 -0.166 -12.231 1.00 0.00 C ATOM 0 HA PRO A 412 8.004 3.080 -12.483 1.00 0.00 H new ATOM 0 HB2 PRO A 412 6.708 1.731 -14.535 1.00 0.00 H new ATOM 0 HB3 PRO A 412 8.455 1.695 -14.404 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.447 -0.364 -13.509 1.00 0.00 H new ATOM 0 HG3 PRO A 412 7.978 -0.603 -14.328 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.724 -0.970 -11.641 1.00 0.00 H new ATOM 0 HD3 PRO A 412 9.223 -0.401 -12.350 1.00 0.00 H new ATOM 136 N TYR A 413 5.163 1.526 -11.995 1.00 0.00 N ATOM 137 CA TYR A 413 3.756 1.760 -11.691 1.00 0.00 C ATOM 138 C TYR A 413 3.602 2.525 -10.380 1.00 0.00 C ATOM 139 O TYR A 413 3.632 1.937 -9.298 1.00 0.00 O ATOM 140 CB TYR A 413 3.002 0.432 -11.610 1.00 0.00 C ATOM 141 CG TYR A 413 2.974 -0.328 -12.917 1.00 0.00 C ATOM 142 CD1 TYR A 413 3.652 0.145 -14.034 1.00 0.00 C ATOM 143 CD2 TYR A 413 2.270 -1.521 -13.034 1.00 0.00 C ATOM 144 CE1 TYR A 413 3.629 -0.546 -15.229 1.00 0.00 C ATOM 145 CE2 TYR A 413 2.242 -2.219 -14.226 1.00 0.00 C ATOM 146 CZ TYR A 413 2.923 -1.728 -15.321 1.00 0.00 C ATOM 147 OH TYR A 413 2.898 -2.420 -16.510 1.00 0.00 O ATOM 0 H TYR A 413 5.432 0.542 -12.018 1.00 0.00 H new ATOM 0 HA TYR A 413 3.333 2.362 -12.495 1.00 0.00 H new ATOM 0 HB2 TYR A 413 3.464 -0.193 -10.846 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.978 0.624 -11.289 1.00 0.00 H new ATOM 0 HD1 TYR A 413 4.207 1.069 -13.966 1.00 0.00 H new ATOM 0 HD2 TYR A 413 1.736 -1.909 -12.179 1.00 0.00 H new ATOM 0 HE1 TYR A 413 4.161 -0.163 -16.088 1.00 0.00 H new ATOM 0 HE2 TYR A 413 1.690 -3.144 -14.300 1.00 0.00 H new ATOM 0 HH TYR A 413 2.358 -3.231 -16.405 1.00 0.00 H new ATOM 157 N ILE A 414 3.437 3.839 -10.485 1.00 0.00 N ATOM 158 CA ILE A 414 3.277 4.685 -9.309 1.00 0.00 C ATOM 159 C ILE A 414 1.842 5.188 -9.184 1.00 0.00 C ATOM 160 O ILE A 414 1.300 5.786 -10.113 1.00 0.00 O ATOM 161 CB ILE A 414 4.230 5.894 -9.350 1.00 0.00 C ATOM 162 CG1 ILE A 414 5.684 5.422 -9.422 1.00 0.00 C ATOM 163 CG2 ILE A 414 4.015 6.781 -8.133 1.00 0.00 C ATOM 164 CD1 ILE A 414 6.015 4.332 -8.426 1.00 0.00 C ATOM 0 H ILE A 414 3.411 4.341 -11.373 1.00 0.00 H new ATOM 0 HA ILE A 414 3.521 4.069 -8.443 1.00 0.00 H new ATOM 0 HB ILE A 414 4.012 6.479 -10.244 1.00 0.00 H new ATOM 0 HG12 ILE A 414 5.890 5.058 -10.429 1.00 0.00 H new ATOM 0 HG13 ILE A 414 6.343 6.273 -9.250 1.00 0.00 H new ATOM 0 HG21 ILE A 414 4.696 7.631 -8.177 1.00 0.00 H new ATOM 0 HG22 ILE A 414 2.986 7.141 -8.122 1.00 0.00 H new ATOM 0 HG23 ILE A 414 4.208 6.208 -7.226 1.00 0.00 H new ATOM 0 HD11 ILE A 414 7.061 4.046 -8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 414 5.841 4.699 -7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.381 3.465 -8.612 1.00 0.00 H new ATOM 176 N CYS A 415 1.234 4.942 -8.029 1.00 0.00 N ATOM 177 CA CYS A 415 -0.138 5.370 -7.780 1.00 0.00 C ATOM 178 C CYS A 415 -0.305 6.858 -8.075 1.00 0.00 C ATOM 179 O CYS A 415 0.436 7.690 -7.554 1.00 0.00 O ATOM 180 CB CYS A 415 -0.530 5.079 -6.331 1.00 0.00 C ATOM 181 SG CYS A 415 -2.320 5.188 -6.009 1.00 0.00 S ATOM 0 H CYS A 415 1.669 4.448 -7.250 1.00 0.00 H new ATOM 0 HA CYS A 415 -0.794 4.809 -8.446 1.00 0.00 H new ATOM 0 HB2 CYS A 415 -0.184 4.080 -6.066 1.00 0.00 H new ATOM 0 HB3 CYS A 415 -0.011 5.780 -5.678 1.00 0.00 H new ATOM 186 N GLN A 416 -1.283 7.183 -8.914 1.00 0.00 N ATOM 187 CA GLN A 416 -1.547 8.570 -9.278 1.00 0.00 C ATOM 188 C GLN A 416 -2.497 9.224 -8.279 1.00 0.00 C ATOM 189 O GLN A 416 -3.148 10.221 -8.588 1.00 0.00 O ATOM 190 CB GLN A 416 -2.139 8.646 -10.686 1.00 0.00 C ATOM 191 CG GLN A 416 -1.205 8.126 -11.767 1.00 0.00 C ATOM 192 CD GLN A 416 -0.114 9.118 -12.122 1.00 0.00 C ATOM 193 OE1 GLN A 416 -0.382 10.177 -12.690 1.00 0.00 O ATOM 194 NE2 GLN A 416 1.126 8.779 -11.787 1.00 0.00 N ATOM 0 H GLN A 416 -1.905 6.505 -9.354 1.00 0.00 H new ATOM 0 HA GLN A 416 -0.600 9.110 -9.259 1.00 0.00 H new ATOM 0 HB2 GLN A 416 -3.066 8.074 -10.713 1.00 0.00 H new ATOM 0 HB3 GLN A 416 -2.397 9.682 -10.907 1.00 0.00 H new ATOM 0 HG2 GLN A 416 -0.749 7.195 -11.431 1.00 0.00 H new ATOM 0 HG3 GLN A 416 -1.784 7.893 -12.661 1.00 0.00 H new ATOM 0 HE21 GLN A 416 1.303 7.891 -11.317 1.00 0.00 H new ATOM 0 HE22 GLN A 416 1.901 9.407 -12.000 1.00 0.00 H new ATOM 203 N SER A 417 -2.570 8.655 -7.080 1.00 0.00 N ATOM 204 CA SER A 417 -3.443 9.180 -6.037 1.00 0.00 C ATOM 205 C SER A 417 -2.631 9.641 -4.830 1.00 0.00 C ATOM 206 O SER A 417 -2.783 10.769 -4.359 1.00 0.00 O ATOM 207 CB SER A 417 -4.456 8.117 -5.607 1.00 0.00 C ATOM 208 OG SER A 417 -5.639 8.197 -6.384 1.00 0.00 O ATOM 0 H SER A 417 -2.035 7.831 -6.807 1.00 0.00 H new ATOM 0 HA SER A 417 -3.978 10.038 -6.444 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.015 7.126 -5.712 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.700 8.248 -4.553 1.00 0.00 H new ATOM 0 HG SER A 417 -6.270 7.507 -6.091 1.00 0.00 H new ATOM 214 N CYS A 418 -1.768 8.761 -4.334 1.00 0.00 N ATOM 215 CA CYS A 418 -0.931 9.075 -3.182 1.00 0.00 C ATOM 216 C CYS A 418 0.533 9.199 -3.592 1.00 0.00 C ATOM 217 O CYS A 418 1.217 10.149 -3.212 1.00 0.00 O ATOM 218 CB CYS A 418 -1.083 7.998 -2.106 1.00 0.00 C ATOM 219 SG CYS A 418 -0.689 6.314 -2.680 1.00 0.00 S ATOM 0 H CYS A 418 -1.630 7.824 -4.712 1.00 0.00 H new ATOM 0 HA CYS A 418 -1.258 10.032 -2.776 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -0.435 8.245 -1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -2.107 8.013 -1.734 1.00 0.00 H new ATOM 224 N GLY A 419 1.008 8.231 -4.370 1.00 0.00 N ATOM 225 CA GLY A 419 2.389 8.250 -4.818 1.00 0.00 C ATOM 226 C GLY A 419 3.093 6.929 -4.583 1.00 0.00 C ATOM 227 O GLY A 419 4.315 6.837 -4.704 1.00 0.00 O ATOM 0 H GLY A 419 0.462 7.434 -4.698 1.00 0.00 H new ATOM 0 HA2 GLY A 419 2.420 8.490 -5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 419 2.926 9.042 -4.296 1.00 0.00 H new ATOM 231 N LYS A 420 2.321 5.901 -4.244 1.00 0.00 N ATOM 232 CA LYS A 420 2.877 4.577 -3.990 1.00 0.00 C ATOM 233 C LYS A 420 3.498 3.996 -5.256 1.00 0.00 C ATOM 234 O LYS A 420 3.497 4.633 -6.309 1.00 0.00 O ATOM 235 CB LYS A 420 1.790 3.637 -3.465 1.00 0.00 C ATOM 236 CG LYS A 420 1.667 3.636 -1.951 1.00 0.00 C ATOM 237 CD LYS A 420 1.007 2.364 -1.446 1.00 0.00 C ATOM 238 CE LYS A 420 0.752 2.426 0.053 1.00 0.00 C ATOM 239 NZ LYS A 420 0.402 1.090 0.611 1.00 0.00 N ATOM 0 H LYS A 420 1.308 5.960 -4.139 1.00 0.00 H new ATOM 0 HA LYS A 420 3.658 4.677 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 420 0.832 3.924 -3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 420 2.003 2.623 -3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 420 2.656 3.736 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 420 1.085 4.500 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 420 0.064 2.209 -1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 420 1.643 1.508 -1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 420 1.639 2.809 0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -0.057 3.128 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 0.236 1.174 1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -0.459 0.735 0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 1.185 0.427 0.441 1.00 0.00 H new ATOM 253 N GLY A 421 4.028 2.781 -5.147 1.00 0.00 N ATOM 254 CA GLY A 421 4.643 2.135 -6.291 1.00 0.00 C ATOM 255 C GLY A 421 4.460 0.630 -6.274 1.00 0.00 C ATOM 256 O GLY A 421 4.492 0.005 -5.214 1.00 0.00 O ATOM 0 H GLY A 421 4.042 2.233 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 421 4.214 2.540 -7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 421 5.708 2.368 -6.307 1.00 0.00 H new ATOM 260 N PHE A 422 4.266 0.046 -7.452 1.00 0.00 N ATOM 261 CA PHE A 422 4.073 -1.395 -7.569 1.00 0.00 C ATOM 262 C PHE A 422 4.827 -1.948 -8.775 1.00 0.00 C ATOM 263 O PHE A 422 5.172 -1.210 -9.697 1.00 0.00 O ATOM 264 CB PHE A 422 2.584 -1.724 -7.689 1.00 0.00 C ATOM 265 CG PHE A 422 1.780 -1.312 -6.489 1.00 0.00 C ATOM 266 CD1 PHE A 422 1.560 0.028 -6.213 1.00 0.00 C ATOM 267 CD2 PHE A 422 1.244 -2.265 -5.638 1.00 0.00 C ATOM 268 CE1 PHE A 422 0.821 0.409 -5.109 1.00 0.00 C ATOM 269 CE2 PHE A 422 0.504 -1.889 -4.532 1.00 0.00 C ATOM 270 CZ PHE A 422 0.292 -0.550 -4.268 1.00 0.00 C ATOM 0 H PHE A 422 4.238 0.548 -8.339 1.00 0.00 H new ATOM 0 HA PHE A 422 4.469 -1.864 -6.668 1.00 0.00 H new ATOM 0 HB2 PHE A 422 2.181 -1.230 -8.573 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.468 -2.797 -7.843 1.00 0.00 H new ATOM 0 HD1 PHE A 422 1.970 0.783 -6.868 1.00 0.00 H new ATOM 0 HD2 PHE A 422 1.406 -3.313 -5.841 1.00 0.00 H new ATOM 0 HE1 PHE A 422 0.657 1.457 -4.904 1.00 0.00 H new ATOM 0 HE2 PHE A 422 0.092 -2.641 -3.876 1.00 0.00 H new ATOM 0 HZ PHE A 422 -0.286 -0.254 -3.405 1.00 0.00 H new ATOM 280 N SER A 423 5.081 -3.253 -8.759 1.00 0.00 N ATOM 281 CA SER A 423 5.798 -3.906 -9.848 1.00 0.00 C ATOM 282 C SER A 423 4.825 -4.446 -10.892 1.00 0.00 C ATOM 283 O SER A 423 5.149 -4.522 -12.077 1.00 0.00 O ATOM 284 CB SER A 423 6.665 -5.043 -9.306 1.00 0.00 C ATOM 285 OG SER A 423 7.854 -4.543 -8.719 1.00 0.00 O ATOM 0 H SER A 423 4.801 -3.879 -8.004 1.00 0.00 H new ATOM 0 HA SER A 423 6.440 -3.165 -10.324 1.00 0.00 H new ATOM 0 HB2 SER A 423 6.102 -5.613 -8.566 1.00 0.00 H new ATOM 0 HB3 SER A 423 6.916 -5.730 -10.114 1.00 0.00 H new ATOM 0 HG SER A 423 8.390 -5.290 -8.379 1.00 0.00 H new ATOM 291 N ARG A 424 3.632 -4.819 -10.442 1.00 0.00 N ATOM 292 CA ARG A 424 2.611 -5.353 -11.336 1.00 0.00 C ATOM 293 C ARG A 424 1.436 -4.388 -11.458 1.00 0.00 C ATOM 294 O ARG A 424 1.174 -3.574 -10.572 1.00 0.00 O ATOM 295 CB ARG A 424 2.119 -6.710 -10.829 1.00 0.00 C ATOM 296 CG ARG A 424 3.163 -7.811 -10.922 1.00 0.00 C ATOM 297 CD ARG A 424 2.518 -9.183 -11.030 1.00 0.00 C ATOM 298 NE ARG A 424 2.231 -9.545 -12.416 1.00 0.00 N ATOM 299 CZ ARG A 424 1.323 -10.450 -12.766 1.00 0.00 C ATOM 300 NH1 ARG A 424 0.618 -11.080 -11.837 1.00 0.00 N ATOM 301 NH2 ARG A 424 1.119 -10.725 -14.048 1.00 0.00 N ATOM 0 H ARG A 424 3.348 -4.761 -9.464 1.00 0.00 H new ATOM 0 HA ARG A 424 3.058 -5.481 -12.322 1.00 0.00 H new ATOM 0 HB2 ARG A 424 1.803 -6.607 -9.791 1.00 0.00 H new ATOM 0 HB3 ARG A 424 1.240 -7.005 -11.402 1.00 0.00 H new ATOM 0 HG2 ARG A 424 3.800 -7.638 -11.790 1.00 0.00 H new ATOM 0 HG3 ARG A 424 3.807 -7.779 -10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 424 3.179 -9.930 -10.590 1.00 0.00 H new ATOM 0 HD3 ARG A 424 1.593 -9.195 -10.453 1.00 0.00 H new ATOM 0 HE ARG A 424 2.756 -9.078 -13.155 1.00 0.00 H new ATOM 0 HH11 ARG A 424 0.772 -10.871 -10.851 1.00 0.00 H new ATOM 0 HH12 ARG A 424 -0.078 -11.774 -12.108 1.00 0.00 H new ATOM 0 HH21 ARG A 424 1.659 -10.242 -14.766 1.00 0.00 H new ATOM 0 HH22 ARG A 424 0.422 -11.420 -14.316 1.00 0.00 H new ATOM 315 N PRO A 425 0.711 -4.477 -12.583 1.00 0.00 N ATOM 316 CA PRO A 425 -0.447 -3.619 -12.849 1.00 0.00 C ATOM 317 C PRO A 425 -1.630 -3.946 -11.944 1.00 0.00 C ATOM 318 O PRO A 425 -2.277 -3.049 -11.403 1.00 0.00 O ATOM 319 CB PRO A 425 -0.789 -3.927 -14.309 1.00 0.00 C ATOM 320 CG PRO A 425 -0.263 -5.301 -14.540 1.00 0.00 C ATOM 321 CD PRO A 425 0.967 -5.423 -13.682 1.00 0.00 C ATOM 0 HA PRO A 425 -0.228 -2.568 -12.661 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -1.864 -3.881 -14.482 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -0.326 -3.207 -14.984 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -1.004 -6.053 -14.269 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -0.022 -5.455 -15.592 1.00 0.00 H new ATOM 0 HD2 PRO A 425 1.101 -6.440 -13.314 1.00 0.00 H new ATOM 0 HD3 PRO A 425 1.870 -5.163 -14.234 1.00 0.00 H new ATOM 329 N ASP A 426 -1.908 -5.235 -11.784 1.00 0.00 N ATOM 330 CA ASP A 426 -3.013 -5.681 -10.943 1.00 0.00 C ATOM 331 C ASP A 426 -2.742 -5.362 -9.476 1.00 0.00 C ATOM 332 O ASP A 426 -3.650 -4.988 -8.733 1.00 0.00 O ATOM 333 CB ASP A 426 -3.241 -7.183 -11.117 1.00 0.00 C ATOM 334 CG ASP A 426 -3.178 -7.613 -12.570 1.00 0.00 C ATOM 335 OD1 ASP A 426 -3.895 -7.014 -13.397 1.00 0.00 O ATOM 336 OD2 ASP A 426 -2.412 -8.550 -12.878 1.00 0.00 O ATOM 0 H ASP A 426 -1.383 -5.990 -12.226 1.00 0.00 H new ATOM 0 HA ASP A 426 -3.911 -5.147 -11.253 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -2.491 -7.730 -10.546 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -4.213 -7.450 -10.704 1.00 0.00 H new ATOM 341 N HIS A 427 -1.487 -5.514 -9.064 1.00 0.00 N ATOM 342 CA HIS A 427 -1.096 -5.242 -7.685 1.00 0.00 C ATOM 343 C HIS A 427 -1.453 -3.812 -7.291 1.00 0.00 C ATOM 344 O HIS A 427 -2.060 -3.579 -6.245 1.00 0.00 O ATOM 345 CB HIS A 427 0.404 -5.475 -7.503 1.00 0.00 C ATOM 346 CG HIS A 427 0.793 -6.921 -7.519 1.00 0.00 C ATOM 347 ND1 HIS A 427 2.099 -7.348 -7.632 1.00 0.00 N ATOM 348 CD2 HIS A 427 0.038 -8.041 -7.433 1.00 0.00 C ATOM 349 CE1 HIS A 427 2.130 -8.669 -7.617 1.00 0.00 C ATOM 350 NE2 HIS A 427 0.893 -9.114 -7.496 1.00 0.00 N ATOM 0 H HIS A 427 -0.724 -5.824 -9.665 1.00 0.00 H new ATOM 0 HA HIS A 427 -1.643 -5.926 -7.036 1.00 0.00 H new ATOM 0 HB2 HIS A 427 0.943 -4.954 -8.294 1.00 0.00 H new ATOM 0 HB3 HIS A 427 0.720 -5.033 -6.558 1.00 0.00 H new ATOM 0 HD2 HIS A 427 -1.037 -8.083 -7.333 1.00 0.00 H new ATOM 0 HE1 HIS A 427 3.017 -9.281 -7.691 1.00 0.00 H new ATOM 0 HE2 HIS A 427 0.617 -10.095 -7.456 1.00 0.00 H new ATOM 358 N LEU A 428 -1.073 -2.859 -8.134 1.00 0.00 N ATOM 359 CA LEU A 428 -1.352 -1.451 -7.873 1.00 0.00 C ATOM 360 C LEU A 428 -2.854 -1.189 -7.852 1.00 0.00 C ATOM 361 O LEU A 428 -3.364 -0.512 -6.960 1.00 0.00 O ATOM 362 CB LEU A 428 -0.684 -0.573 -8.933 1.00 0.00 C ATOM 363 CG LEU A 428 -1.339 0.785 -9.190 1.00 0.00 C ATOM 364 CD1 LEU A 428 -1.226 1.672 -7.960 1.00 0.00 C ATOM 365 CD2 LEU A 428 -0.707 1.461 -10.398 1.00 0.00 C ATOM 0 H LEU A 428 -0.571 -3.035 -9.004 1.00 0.00 H new ATOM 0 HA LEU A 428 -0.944 -1.201 -6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 428 0.351 -0.404 -8.636 1.00 0.00 H new ATOM 0 HB3 LEU A 428 -0.661 -1.126 -9.872 1.00 0.00 H new ATOM 0 HG LEU A 428 -2.396 0.624 -9.401 1.00 0.00 H new ATOM 0 HD11 LEU A 428 -1.697 2.634 -8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 428 -1.725 1.192 -7.118 1.00 0.00 H new ATOM 0 HD13 LEU A 428 -0.174 1.826 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 428 -1.185 2.426 -10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 428 0.357 1.610 -10.216 1.00 0.00 H new ATOM 0 HD23 LEU A 428 -0.840 0.832 -11.278 1.00 0.00 H new ATOM 377 N ASN A 429 -3.558 -1.731 -8.840 1.00 0.00 N ATOM 378 CA ASN A 429 -5.003 -1.558 -8.934 1.00 0.00 C ATOM 379 C ASN A 429 -5.676 -1.866 -7.600 1.00 0.00 C ATOM 380 O ASN A 429 -6.426 -1.049 -7.068 1.00 0.00 O ATOM 381 CB ASN A 429 -5.576 -2.460 -10.029 1.00 0.00 C ATOM 382 CG ASN A 429 -4.872 -2.275 -11.359 1.00 0.00 C ATOM 383 OD1 ASN A 429 -4.610 -3.241 -12.075 1.00 0.00 O ATOM 384 ND2 ASN A 429 -4.563 -1.028 -11.695 1.00 0.00 N ATOM 0 H ASN A 429 -3.151 -2.294 -9.587 1.00 0.00 H new ATOM 0 HA ASN A 429 -5.203 -0.517 -9.189 1.00 0.00 H new ATOM 0 HB2 ASN A 429 -5.492 -3.501 -9.719 1.00 0.00 H new ATOM 0 HB3 ASN A 429 -6.638 -2.248 -10.151 1.00 0.00 H new ATOM 0 HD21 ASN A 429 -4.089 -0.840 -12.578 1.00 0.00 H new ATOM 0 HD22 ASN A 429 -4.800 -0.258 -11.070 1.00 0.00 H new ATOM 391 N GLY A 430 -5.402 -3.052 -7.066 1.00 0.00 N ATOM 392 CA GLY A 430 -5.988 -3.448 -5.799 1.00 0.00 C ATOM 393 C GLY A 430 -5.834 -2.384 -4.730 1.00 0.00 C ATOM 394 O GLY A 430 -6.759 -2.130 -3.959 1.00 0.00 O ATOM 0 H GLY A 430 -4.785 -3.746 -7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -7.047 -3.663 -5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -5.519 -4.371 -5.458 1.00 0.00 H new ATOM 398 N HIS A 431 -4.661 -1.761 -4.684 1.00 0.00 N ATOM 399 CA HIS A 431 -4.388 -0.718 -3.701 1.00 0.00 C ATOM 400 C HIS A 431 -5.285 0.494 -3.931 1.00 0.00 C ATOM 401 O HIS A 431 -5.793 1.091 -2.982 1.00 0.00 O ATOM 402 CB HIS A 431 -2.919 -0.299 -3.765 1.00 0.00 C ATOM 403 CG HIS A 431 -2.676 1.107 -3.310 1.00 0.00 C ATOM 404 ND1 HIS A 431 -2.584 1.463 -1.981 1.00 0.00 N ATOM 405 CD2 HIS A 431 -2.504 2.249 -4.016 1.00 0.00 C ATOM 406 CE1 HIS A 431 -2.368 2.763 -1.889 1.00 0.00 C ATOM 407 NE2 HIS A 431 -2.315 3.263 -3.110 1.00 0.00 N ATOM 0 H HIS A 431 -3.885 -1.960 -5.315 1.00 0.00 H new ATOM 0 HA HIS A 431 -4.600 -1.122 -2.711 1.00 0.00 H new ATOM 0 HB2 HIS A 431 -2.329 -0.978 -3.150 1.00 0.00 H new ATOM 0 HB3 HIS A 431 -2.563 -0.407 -4.790 1.00 0.00 H new ATOM 0 HD1 HIS A 431 -2.669 0.822 -1.192 1.00 0.00 H new ATOM 0 HD2 HIS A 431 -2.514 2.345 -5.092 1.00 0.00 H new ATOM 0 HE1 HIS A 431 -2.254 3.322 -0.972 1.00 0.00 H new ATOM 415 N ILE A 432 -5.474 0.852 -5.197 1.00 0.00 N ATOM 416 CA ILE A 432 -6.310 1.993 -5.551 1.00 0.00 C ATOM 417 C ILE A 432 -7.788 1.673 -5.357 1.00 0.00 C ATOM 418 O ILE A 432 -8.618 2.573 -5.225 1.00 0.00 O ATOM 419 CB ILE A 432 -6.078 2.429 -7.010 1.00 0.00 C ATOM 420 CG1 ILE A 432 -4.580 2.528 -7.304 1.00 0.00 C ATOM 421 CG2 ILE A 432 -6.765 3.759 -7.280 1.00 0.00 C ATOM 422 CD1 ILE A 432 -4.269 2.933 -8.727 1.00 0.00 C ATOM 0 H ILE A 432 -5.060 0.369 -5.994 1.00 0.00 H new ATOM 0 HA ILE A 432 -6.027 2.810 -4.887 1.00 0.00 H new ATOM 0 HB ILE A 432 -6.510 1.678 -7.671 1.00 0.00 H new ATOM 0 HG12 ILE A 432 -4.131 3.251 -6.623 1.00 0.00 H new ATOM 0 HG13 ILE A 432 -4.113 1.565 -7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 432 -6.592 4.054 -8.315 1.00 0.00 H new ATOM 0 HG22 ILE A 432 -7.836 3.657 -7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 432 -6.360 4.520 -6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 432 -3.189 2.983 -8.863 1.00 0.00 H new ATOM 0 HD12 ILE A 432 -4.688 2.198 -9.414 1.00 0.00 H new ATOM 0 HD13 ILE A 432 -4.706 3.911 -8.931 1.00 0.00 H new ATOM 434 N LYS A 433 -8.111 0.384 -5.337 1.00 0.00 N ATOM 435 CA LYS A 433 -9.488 -0.058 -5.156 1.00 0.00 C ATOM 436 C LYS A 433 -9.713 -0.570 -3.737 1.00 0.00 C ATOM 437 O LYS A 433 -10.827 -0.943 -3.371 1.00 0.00 O ATOM 438 CB LYS A 433 -9.831 -1.155 -6.166 1.00 0.00 C ATOM 439 CG LYS A 433 -11.105 -1.913 -5.832 1.00 0.00 C ATOM 440 CD LYS A 433 -11.612 -2.704 -7.026 1.00 0.00 C ATOM 441 CE LYS A 433 -12.539 -1.868 -7.895 1.00 0.00 C ATOM 442 NZ LYS A 433 -11.820 -0.736 -8.543 1.00 0.00 N ATOM 0 H LYS A 433 -7.436 -0.373 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 433 -10.142 0.798 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -9.933 -0.708 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -9.002 -1.860 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -10.919 -2.590 -4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -11.873 -1.211 -5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -10.766 -3.049 -7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -12.140 -3.592 -6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -12.987 -2.500 -8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -13.355 -1.479 -7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -12.389 -0.370 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -11.666 0.021 -7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -10.902 -1.068 -8.903 1.00 0.00 H new ATOM 456 N GLN A 434 -8.647 -0.585 -2.942 1.00 0.00 N ATOM 457 CA GLN A 434 -8.730 -1.052 -1.563 1.00 0.00 C ATOM 458 C GLN A 434 -8.458 0.087 -0.586 1.00 0.00 C ATOM 459 O GLN A 434 -8.959 0.087 0.539 1.00 0.00 O ATOM 460 CB GLN A 434 -7.735 -2.190 -1.327 1.00 0.00 C ATOM 461 CG GLN A 434 -7.703 -2.681 0.111 1.00 0.00 C ATOM 462 CD GLN A 434 -9.077 -3.056 0.630 1.00 0.00 C ATOM 463 OE1 GLN A 434 -9.719 -3.972 0.117 1.00 0.00 O ATOM 464 NE2 GLN A 434 -9.536 -2.347 1.655 1.00 0.00 N ATOM 0 H GLN A 434 -7.717 -0.279 -3.229 1.00 0.00 H new ATOM 0 HA GLN A 434 -9.741 -1.421 -1.391 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -7.988 -3.024 -1.982 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -6.737 -1.854 -1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -7.044 -3.546 0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -7.278 -1.904 0.747 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -8.970 -1.596 2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -10.454 -2.554 2.047 1.00 0.00 H new ATOM 473 N VAL A 435 -7.662 1.058 -1.023 1.00 0.00 N ATOM 474 CA VAL A 435 -7.324 2.204 -0.187 1.00 0.00 C ATOM 475 C VAL A 435 -7.901 3.493 -0.762 1.00 0.00 C ATOM 476 O VAL A 435 -8.348 4.370 -0.023 1.00 0.00 O ATOM 477 CB VAL A 435 -5.799 2.359 -0.037 1.00 0.00 C ATOM 478 CG1 VAL A 435 -5.470 3.419 1.003 1.00 0.00 C ATOM 479 CG2 VAL A 435 -5.161 1.027 0.327 1.00 0.00 C ATOM 0 H VAL A 435 -7.239 1.074 -1.951 1.00 0.00 H new ATOM 0 HA VAL A 435 -7.761 2.020 0.794 1.00 0.00 H new ATOM 0 HB VAL A 435 -5.388 2.683 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 435 -4.388 3.515 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 435 -5.894 4.375 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 435 -5.892 3.128 1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 435 -4.083 1.155 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 435 -5.575 0.671 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 435 -5.367 0.299 -0.457 1.00 0.00 H new ATOM 489 N HIS A 436 -7.888 3.601 -2.087 1.00 0.00 N ATOM 490 CA HIS A 436 -8.412 4.783 -2.763 1.00 0.00 C ATOM 491 C HIS A 436 -9.844 4.549 -3.234 1.00 0.00 C ATOM 492 O HIS A 436 -10.383 5.325 -4.025 1.00 0.00 O ATOM 493 CB HIS A 436 -7.524 5.151 -3.952 1.00 0.00 C ATOM 494 CG HIS A 436 -6.173 5.662 -3.556 1.00 0.00 C ATOM 495 ND1 HIS A 436 -5.994 6.742 -2.718 1.00 0.00 N ATOM 496 CD2 HIS A 436 -4.933 5.234 -3.887 1.00 0.00 C ATOM 497 CE1 HIS A 436 -4.701 6.958 -2.552 1.00 0.00 C ATOM 498 NE2 HIS A 436 -4.035 6.056 -3.250 1.00 0.00 N ATOM 0 H HIS A 436 -7.521 2.885 -2.714 1.00 0.00 H new ATOM 0 HA HIS A 436 -8.413 5.609 -2.051 1.00 0.00 H new ATOM 0 HB2 HIS A 436 -7.400 4.274 -4.587 1.00 0.00 H new ATOM 0 HB3 HIS A 436 -8.029 5.909 -4.551 1.00 0.00 H new ATOM 0 HD1 HIS A 436 -6.743 7.289 -2.293 1.00 0.00 H new ATOM 0 HD2 HIS A 436 -4.694 4.401 -4.532 1.00 0.00 H new ATOM 0 HE1 HIS A 436 -4.263 7.739 -1.948 1.00 0.00 H new ATOM 506 N THR A 437 -10.456 3.476 -2.744 1.00 0.00 N ATOM 507 CA THR A 437 -11.824 3.139 -3.117 1.00 0.00 C ATOM 508 C THR A 437 -12.829 3.851 -2.219 1.00 0.00 C ATOM 509 O THR A 437 -12.695 3.848 -0.995 1.00 0.00 O ATOM 510 CB THR A 437 -12.070 1.620 -3.040 1.00 0.00 C ATOM 511 OG1 THR A 437 -13.475 1.349 -3.080 1.00 0.00 O ATOM 512 CG2 THR A 437 -11.472 1.039 -1.767 1.00 0.00 C ATOM 0 H THR A 437 -10.026 2.825 -2.087 1.00 0.00 H new ATOM 0 HA THR A 437 -11.962 3.470 -4.146 1.00 0.00 H new ATOM 0 HB THR A 437 -11.586 1.152 -3.897 1.00 0.00 H new ATOM 0 HG1 THR A 437 -13.623 0.381 -3.032 1.00 0.00 H new ATOM 0 HG21 THR A 437 -11.658 -0.035 -1.735 1.00 0.00 H new ATOM 0 HG22 THR A 437 -10.397 1.222 -1.754 1.00 0.00 H new ATOM 0 HG23 THR A 437 -11.931 1.513 -0.900 1.00 0.00 H new ATOM 520 N SER A 438 -13.837 4.462 -2.835 1.00 0.00 N ATOM 521 CA SER A 438 -14.864 5.181 -2.090 1.00 0.00 C ATOM 522 C SER A 438 -16.251 4.882 -2.650 1.00 0.00 C ATOM 523 O SER A 438 -16.475 4.964 -3.858 1.00 0.00 O ATOM 524 CB SER A 438 -14.597 6.687 -2.137 1.00 0.00 C ATOM 525 OG SER A 438 -14.538 7.153 -3.474 1.00 0.00 O ATOM 0 H SER A 438 -13.964 4.473 -3.847 1.00 0.00 H new ATOM 0 HA SER A 438 -14.829 4.844 -1.054 1.00 0.00 H new ATOM 0 HB2 SER A 438 -15.383 7.216 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 438 -13.658 6.909 -1.629 1.00 0.00 H new ATOM 0 HG SER A 438 -15.243 6.723 -4.002 1.00 0.00 H new ATOM 531 N GLU A 439 -17.178 4.533 -1.763 1.00 0.00 N ATOM 532 CA GLU A 439 -18.543 4.220 -2.169 1.00 0.00 C ATOM 533 C GLU A 439 -19.433 5.457 -2.083 1.00 0.00 C ATOM 534 O GLU A 439 -19.354 6.226 -1.124 1.00 0.00 O ATOM 535 CB GLU A 439 -19.116 3.104 -1.294 1.00 0.00 C ATOM 536 CG GLU A 439 -18.703 1.710 -1.737 1.00 0.00 C ATOM 537 CD GLU A 439 -19.006 1.450 -3.200 1.00 0.00 C ATOM 538 OE1 GLU A 439 -20.126 1.780 -3.642 1.00 0.00 O ATOM 539 OE2 GLU A 439 -18.122 0.917 -3.903 1.00 0.00 O ATOM 0 H GLU A 439 -17.009 4.460 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 439 -18.518 3.882 -3.205 1.00 0.00 H new ATOM 0 HB2 GLU A 439 -18.794 3.259 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 439 -20.204 3.171 -1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 439 -17.635 1.578 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 439 -19.220 0.970 -1.126 1.00 0.00 H new ATOM 546 N ARG A 440 -20.279 5.641 -3.091 1.00 0.00 N ATOM 547 CA ARG A 440 -21.183 6.784 -3.130 1.00 0.00 C ATOM 548 C ARG A 440 -22.244 6.602 -4.212 1.00 0.00 C ATOM 549 O ARG A 440 -21.987 6.049 -5.281 1.00 0.00 O ATOM 550 CB ARG A 440 -20.399 8.073 -3.383 1.00 0.00 C ATOM 551 CG ARG A 440 -19.603 8.058 -4.678 1.00 0.00 C ATOM 552 CD ARG A 440 -18.359 8.927 -4.577 1.00 0.00 C ATOM 553 NE ARG A 440 -18.618 10.304 -4.988 1.00 0.00 N ATOM 554 CZ ARG A 440 -17.714 11.275 -4.915 1.00 0.00 C ATOM 555 NH1 ARG A 440 -16.499 11.021 -4.450 1.00 0.00 N ATOM 556 NH2 ARG A 440 -18.026 12.503 -5.309 1.00 0.00 N ATOM 0 H ARG A 440 -20.357 5.014 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 440 -21.682 6.853 -2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 440 -21.094 8.913 -3.403 1.00 0.00 H new ATOM 0 HB3 ARG A 440 -19.717 8.243 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 440 -19.315 7.034 -4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 440 -20.230 8.412 -5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 440 -17.993 8.918 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -17.571 8.505 -5.200 1.00 0.00 H new ATOM 0 HE ARG A 440 -19.543 10.533 -5.351 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -16.256 10.078 -4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -15.807 11.769 -4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -18.960 12.702 -5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -17.332 13.248 -5.253 1.00 0.00 H new ATOM 570 N PRO A 441 -23.466 7.076 -3.928 1.00 0.00 N ATOM 571 CA PRO A 441 -24.591 6.977 -4.864 1.00 0.00 C ATOM 572 C PRO A 441 -24.415 7.880 -6.079 1.00 0.00 C ATOM 573 O PRO A 441 -23.388 8.543 -6.229 1.00 0.00 O ATOM 574 CB PRO A 441 -25.789 7.432 -4.027 1.00 0.00 C ATOM 575 CG PRO A 441 -25.205 8.311 -2.976 1.00 0.00 C ATOM 576 CD PRO A 441 -23.845 7.746 -2.673 1.00 0.00 C ATOM 0 HA PRO A 441 -24.696 5.971 -5.271 1.00 0.00 H new ATOM 0 HB2 PRO A 441 -26.515 7.971 -4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 441 -26.310 6.582 -3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 441 -25.131 9.341 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 441 -25.831 8.321 -2.084 1.00 0.00 H new ATOM 0 HD2 PRO A 441 -23.135 8.529 -2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 441 -23.878 7.046 -1.838 1.00 0.00 H new ATOM 584 N HIS A 442 -25.423 7.902 -6.945 1.00 0.00 N ATOM 585 CA HIS A 442 -25.380 8.726 -8.148 1.00 0.00 C ATOM 586 C HIS A 442 -25.180 10.196 -7.793 1.00 0.00 C ATOM 587 O HIS A 442 -26.116 10.878 -7.374 1.00 0.00 O ATOM 588 CB HIS A 442 -26.667 8.555 -8.955 1.00 0.00 C ATOM 589 CG HIS A 442 -26.885 7.157 -9.446 1.00 0.00 C ATOM 590 ND1 HIS A 442 -27.927 6.362 -9.016 1.00 0.00 N ATOM 591 CD2 HIS A 442 -26.189 6.413 -10.337 1.00 0.00 C ATOM 592 CE1 HIS A 442 -27.861 5.189 -9.619 1.00 0.00 C ATOM 593 NE2 HIS A 442 -26.816 5.194 -10.427 1.00 0.00 N ATOM 0 H HIS A 442 -26.279 7.359 -6.836 1.00 0.00 H new ATOM 0 HA HIS A 442 -24.534 8.398 -8.753 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -27.515 8.851 -8.338 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -26.643 9.232 -9.809 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -25.305 6.720 -10.877 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -28.545 4.366 -9.476 1.00 0.00 H new ATOM 0 HE2 HIS A 442 -26.522 4.419 -11.021 1.00 0.00 H new ATOM 601 N LYS A 443 -23.954 10.679 -7.961 1.00 0.00 N ATOM 602 CA LYS A 443 -23.629 12.068 -7.659 1.00 0.00 C ATOM 603 C LYS A 443 -23.289 12.837 -8.932 1.00 0.00 C ATOM 604 O LYS A 443 -22.164 12.768 -9.429 1.00 0.00 O ATOM 605 CB LYS A 443 -22.456 12.138 -6.680 1.00 0.00 C ATOM 606 CG LYS A 443 -22.482 13.366 -5.786 1.00 0.00 C ATOM 607 CD LYS A 443 -22.072 14.617 -6.544 1.00 0.00 C ATOM 608 CE LYS A 443 -20.567 14.670 -6.760 1.00 0.00 C ATOM 609 NZ LYS A 443 -19.854 15.198 -5.564 1.00 0.00 N ATOM 0 H LYS A 443 -23.168 10.128 -8.305 1.00 0.00 H new ATOM 0 HA LYS A 443 -24.505 12.528 -7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -22.461 11.244 -6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -21.523 12.129 -7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -23.484 13.499 -5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -21.811 13.216 -4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -22.580 14.642 -7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -22.393 15.500 -5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -20.198 13.671 -6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -20.346 15.299 -7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -18.831 15.219 -5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -20.188 16.161 -5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -20.044 14.583 -4.747 1.00 0.00 H new ATOM 623 N CYS A 444 -24.267 13.569 -9.455 1.00 0.00 N ATOM 624 CA CYS A 444 -24.071 14.351 -10.670 1.00 0.00 C ATOM 625 C CYS A 444 -23.326 15.647 -10.368 1.00 0.00 C ATOM 626 O CYS A 444 -23.802 16.482 -9.599 1.00 0.00 O ATOM 627 CB CYS A 444 -25.418 14.663 -11.324 1.00 0.00 C ATOM 628 SG CYS A 444 -26.309 13.203 -11.911 1.00 0.00 S ATOM 0 H CYS A 444 -25.203 13.637 -9.056 1.00 0.00 H new ATOM 0 HA CYS A 444 -23.469 13.760 -11.360 1.00 0.00 H new ATOM 0 HB2 CYS A 444 -26.044 15.193 -10.606 1.00 0.00 H new ATOM 0 HB3 CYS A 444 -25.254 15.338 -12.164 1.00 0.00 H new ATOM 0 HG CYS A 444 -27.436 13.568 -12.446 1.00 0.00 H new ATOM 634 N GLN A 445 -22.156 15.807 -10.977 1.00 0.00 N ATOM 635 CA GLN A 445 -21.345 17.001 -10.771 1.00 0.00 C ATOM 636 C GLN A 445 -21.432 17.934 -11.974 1.00 0.00 C ATOM 637 O GLN A 445 -20.712 17.763 -12.958 1.00 0.00 O ATOM 638 CB GLN A 445 -19.887 16.615 -10.514 1.00 0.00 C ATOM 639 CG GLN A 445 -19.015 17.783 -10.082 1.00 0.00 C ATOM 640 CD GLN A 445 -17.716 17.336 -9.442 1.00 0.00 C ATOM 641 OE1 GLN A 445 -17.517 17.498 -8.237 1.00 0.00 O ATOM 642 NE2 GLN A 445 -16.823 16.769 -10.245 1.00 0.00 N ATOM 0 H GLN A 445 -21.748 15.125 -11.617 1.00 0.00 H new ATOM 0 HA GLN A 445 -21.734 17.527 -9.899 1.00 0.00 H new ATOM 0 HB2 GLN A 445 -19.854 15.844 -9.744 1.00 0.00 H new ATOM 0 HB3 GLN A 445 -19.470 16.178 -11.421 1.00 0.00 H new ATOM 0 HG2 GLN A 445 -18.793 18.406 -10.949 1.00 0.00 H new ATOM 0 HG3 GLN A 445 -19.568 18.403 -9.377 1.00 0.00 H new ATOM 0 HE21 GLN A 445 -17.029 16.655 -11.237 1.00 0.00 H new ATOM 0 HE22 GLN A 445 -15.931 16.448 -9.869 1.00 0.00 H new ATOM 651 N VAL A 446 -22.319 18.920 -11.890 1.00 0.00 N ATOM 652 CA VAL A 446 -22.500 19.880 -12.972 1.00 0.00 C ATOM 653 C VAL A 446 -23.363 21.055 -12.525 1.00 0.00 C ATOM 654 O VAL A 446 -24.372 20.873 -11.844 1.00 0.00 O ATOM 655 CB VAL A 446 -23.147 19.221 -14.204 1.00 0.00 C ATOM 656 CG1 VAL A 446 -24.566 18.773 -13.888 1.00 0.00 C ATOM 657 CG2 VAL A 446 -23.132 20.177 -15.388 1.00 0.00 C ATOM 0 H VAL A 446 -22.924 19.075 -11.083 1.00 0.00 H new ATOM 0 HA VAL A 446 -21.509 20.243 -13.243 1.00 0.00 H new ATOM 0 HB VAL A 446 -22.565 18.339 -14.470 1.00 0.00 H new ATOM 0 HG11 VAL A 446 -25.006 18.310 -14.771 1.00 0.00 H new ATOM 0 HG12 VAL A 446 -24.546 18.051 -13.071 1.00 0.00 H new ATOM 0 HG13 VAL A 446 -25.163 19.636 -13.595 1.00 0.00 H new ATOM 0 HG21 VAL A 446 -23.593 19.695 -16.250 1.00 0.00 H new ATOM 0 HG22 VAL A 446 -23.690 21.079 -15.135 1.00 0.00 H new ATOM 0 HG23 VAL A 446 -22.103 20.443 -15.628 1.00 0.00 H new ATOM 667 N TRP A 447 -22.961 22.259 -12.914 1.00 0.00 N ATOM 668 CA TRP A 447 -23.698 23.465 -12.554 1.00 0.00 C ATOM 669 C TRP A 447 -24.376 24.074 -13.777 1.00 0.00 C ATOM 670 O TRP A 447 -25.478 24.614 -13.684 1.00 0.00 O ATOM 671 CB TRP A 447 -22.761 24.488 -11.912 1.00 0.00 C ATOM 672 CG TRP A 447 -22.040 25.342 -12.911 1.00 0.00 C ATOM 673 CD1 TRP A 447 -21.069 24.941 -13.784 1.00 0.00 C ATOM 674 CD2 TRP A 447 -22.232 26.743 -13.139 1.00 0.00 C ATOM 675 NE1 TRP A 447 -20.646 26.007 -14.540 1.00 0.00 N ATOM 676 CE2 TRP A 447 -21.345 27.124 -14.164 1.00 0.00 C ATOM 677 CE3 TRP A 447 -23.069 27.711 -12.579 1.00 0.00 C ATOM 678 CZ2 TRP A 447 -21.272 28.431 -14.637 1.00 0.00 C ATOM 679 CZ3 TRP A 447 -22.995 29.008 -13.049 1.00 0.00 C ATOM 680 CH2 TRP A 447 -22.102 29.359 -14.070 1.00 0.00 C ATOM 0 H TRP A 447 -22.128 22.427 -13.479 1.00 0.00 H new ATOM 0 HA TRP A 447 -24.469 23.189 -11.835 1.00 0.00 H new ATOM 0 HB2 TRP A 447 -23.337 25.129 -11.245 1.00 0.00 H new ATOM 0 HB3 TRP A 447 -22.029 23.964 -11.297 1.00 0.00 H new ATOM 0 HD1 TRP A 447 -20.689 23.933 -13.868 1.00 0.00 H new ATOM 0 HE1 TRP A 447 -19.928 25.973 -15.264 1.00 0.00 H new ATOM 0 HE3 TRP A 447 -23.762 27.450 -11.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 447 -20.584 28.703 -15.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 447 -23.637 29.765 -12.622 1.00 0.00 H new ATOM 0 HH2 TRP A 447 -22.068 30.382 -14.416 1.00 0.00 H new ATOM 691 N VAL A 448 -23.710 23.984 -14.924 1.00 0.00 N ATOM 692 CA VAL A 448 -24.249 24.525 -16.166 1.00 0.00 C ATOM 693 C VAL A 448 -23.825 23.681 -17.363 1.00 0.00 C ATOM 694 O VAL A 448 -22.654 23.330 -17.504 1.00 0.00 O ATOM 695 CB VAL A 448 -23.792 25.979 -16.389 1.00 0.00 C ATOM 696 CG1 VAL A 448 -24.182 26.454 -17.781 1.00 0.00 C ATOM 697 CG2 VAL A 448 -24.379 26.891 -15.322 1.00 0.00 C ATOM 0 H VAL A 448 -22.796 23.541 -15.019 1.00 0.00 H new ATOM 0 HA VAL A 448 -25.335 24.503 -16.076 1.00 0.00 H new ATOM 0 HB VAL A 448 -22.706 26.016 -16.309 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -23.851 27.483 -17.920 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -23.710 25.817 -18.529 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -25.265 26.403 -17.893 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -24.046 27.914 -15.495 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -25.467 26.851 -15.368 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -24.045 26.562 -14.338 1.00 0.00 H new ATOM 707 N SER A 449 -24.785 23.360 -18.223 1.00 0.00 N ATOM 708 CA SER A 449 -24.513 22.555 -19.408 1.00 0.00 C ATOM 709 C SER A 449 -25.023 23.249 -20.667 1.00 0.00 C ATOM 710 O SER A 449 -26.054 23.920 -20.644 1.00 0.00 O ATOM 711 CB SER A 449 -25.162 21.176 -19.273 1.00 0.00 C ATOM 712 OG SER A 449 -26.543 21.230 -19.589 1.00 0.00 O ATOM 0 H SER A 449 -25.759 23.645 -18.122 1.00 0.00 H new ATOM 0 HA SER A 449 -23.433 22.434 -19.494 1.00 0.00 H new ATOM 0 HB2 SER A 449 -24.662 20.469 -19.934 1.00 0.00 H new ATOM 0 HB3 SER A 449 -25.033 20.807 -18.255 1.00 0.00 H new ATOM 0 HG SER A 449 -26.935 20.336 -19.497 1.00 0.00 H new ATOM 718 N GLY A 450 -24.292 23.083 -21.765 1.00 0.00 N ATOM 719 CA GLY A 450 -24.685 23.699 -23.018 1.00 0.00 C ATOM 720 C GLY A 450 -23.505 24.278 -23.774 1.00 0.00 C ATOM 721 O GLY A 450 -23.010 23.693 -24.737 1.00 0.00 O ATOM 0 H GLY A 450 -23.434 22.533 -21.809 1.00 0.00 H new ATOM 0 HA2 GLY A 450 -25.185 22.958 -23.642 1.00 0.00 H new ATOM 0 HA3 GLY A 450 -25.409 24.489 -22.820 1.00 0.00 H new ATOM 725 N PRO A 451 -23.039 25.458 -23.337 1.00 0.00 N ATOM 726 CA PRO A 451 -21.906 26.142 -23.966 1.00 0.00 C ATOM 727 C PRO A 451 -20.585 25.419 -23.725 1.00 0.00 C ATOM 728 O PRO A 451 -20.490 24.552 -22.857 1.00 0.00 O ATOM 729 CB PRO A 451 -21.897 27.513 -23.285 1.00 0.00 C ATOM 730 CG PRO A 451 -22.552 27.285 -21.966 1.00 0.00 C ATOM 731 CD PRO A 451 -23.581 26.213 -22.195 1.00 0.00 C ATOM 0 HA PRO A 451 -22.010 26.190 -25.050 1.00 0.00 H new ATOM 0 HB2 PRO A 451 -20.881 27.888 -23.163 1.00 0.00 H new ATOM 0 HB3 PRO A 451 -22.440 28.251 -23.875 1.00 0.00 H new ATOM 0 HG2 PRO A 451 -21.824 26.973 -21.217 1.00 0.00 H new ATOM 0 HG3 PRO A 451 -23.017 28.200 -21.598 1.00 0.00 H new ATOM 0 HD2 PRO A 451 -23.704 25.580 -21.316 1.00 0.00 H new ATOM 0 HD3 PRO A 451 -24.559 26.637 -22.422 1.00 0.00 H new ATOM 739 N SER A 452 -19.567 25.782 -24.500 1.00 0.00 N ATOM 740 CA SER A 452 -18.252 25.165 -24.372 1.00 0.00 C ATOM 741 C SER A 452 -18.319 23.674 -24.688 1.00 0.00 C ATOM 742 O SER A 452 -17.720 22.853 -23.992 1.00 0.00 O ATOM 743 CB SER A 452 -17.702 25.374 -22.960 1.00 0.00 C ATOM 744 OG SER A 452 -16.418 24.790 -22.821 1.00 0.00 O ATOM 0 H SER A 452 -19.628 26.500 -25.222 1.00 0.00 H new ATOM 0 HA SER A 452 -17.583 25.641 -25.089 1.00 0.00 H new ATOM 0 HB2 SER A 452 -17.645 26.441 -22.743 1.00 0.00 H new ATOM 0 HB3 SER A 452 -18.385 24.936 -22.232 1.00 0.00 H new ATOM 0 HG SER A 452 -16.421 23.895 -23.221 1.00 0.00 H new ATOM 750 N SER A 453 -19.051 23.331 -25.743 1.00 0.00 N ATOM 751 CA SER A 453 -19.200 21.939 -26.150 1.00 0.00 C ATOM 752 C SER A 453 -18.059 21.517 -27.070 1.00 0.00 C ATOM 753 O SER A 453 -17.401 22.354 -27.686 1.00 0.00 O ATOM 754 CB SER A 453 -20.542 21.732 -26.855 1.00 0.00 C ATOM 755 OG SER A 453 -20.960 20.381 -26.771 1.00 0.00 O ATOM 0 H SER A 453 -19.550 23.998 -26.331 1.00 0.00 H new ATOM 0 HA SER A 453 -19.169 21.319 -25.254 1.00 0.00 H new ATOM 0 HB2 SER A 453 -21.296 22.378 -26.405 1.00 0.00 H new ATOM 0 HB3 SER A 453 -20.455 22.025 -27.901 1.00 0.00 H new ATOM 0 HG SER A 453 -21.821 20.276 -27.228 1.00 0.00 H new ATOM 761 N GLY A 454 -17.831 20.210 -27.159 1.00 0.00 N ATOM 762 CA GLY A 454 -16.770 19.698 -28.006 1.00 0.00 C ATOM 763 C GLY A 454 -17.182 19.608 -29.462 1.00 0.00 C ATOM 764 O GLY A 454 -18.189 20.188 -29.866 1.00 0.00 O ATOM 0 H GLY A 454 -18.362 19.497 -26.660 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -15.896 20.343 -27.918 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -16.473 18.710 -27.654 1.00 0.00 H new TER 768 GLY A 454 HETATM 769 ZN ZN A 201 -2.357 5.231 -3.638 1.00 0.00 ZN