USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=15 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 403 SER OG : rot 180:sc= -0.116 USER MOD Set 1.2: A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 402 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 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 GLN : amide:sc= 0 X(o=0,f=-0.01) 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 423 SER OG : rot 180:sc= -0.65 USER MOD Single : A 427 HIS : no HD1:sc= -2! C(o=-2!,f=-3.1!) USER MOD Single : A 429 ASN :FLIP amide:sc= -0.0154 F(o=-0.95,f=-0.015) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 434 GLN : amide:sc= -0.0457 X(o=-0.046,f=0.21) USER MOD Single : A 437 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 442 HIS : no HD1:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 453 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 401 26.441 15.064 6.873 1.00 0.00 N ATOM 2 CA GLY A 401 26.667 13.954 5.966 1.00 0.00 C ATOM 3 C GLY A 401 25.399 13.516 5.260 1.00 0.00 C ATOM 4 O GLY A 401 24.969 14.146 4.294 1.00 0.00 O ATOM 0 HA2 GLY A 401 27.412 14.241 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 401 27.079 13.112 6.522 1.00 0.00 H new ATOM 8 N SER A 402 24.800 12.431 5.742 1.00 0.00 N ATOM 9 CA SER A 402 23.577 11.906 5.146 1.00 0.00 C ATOM 10 C SER A 402 22.557 11.550 6.224 1.00 0.00 C ATOM 11 O SER A 402 22.835 11.663 7.418 1.00 0.00 O ATOM 12 CB SER A 402 23.887 10.673 4.295 1.00 0.00 C ATOM 13 OG SER A 402 24.175 11.038 2.956 1.00 0.00 O ATOM 0 H SER A 402 25.142 11.899 6.543 1.00 0.00 H new ATOM 0 HA SER A 402 23.151 12.681 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 402 24.736 10.138 4.720 1.00 0.00 H new ATOM 0 HB3 SER A 402 23.037 9.990 4.315 1.00 0.00 H new ATOM 0 HG SER A 402 24.372 10.233 2.433 1.00 0.00 H new ATOM 19 N SER A 403 21.376 11.119 5.793 1.00 0.00 N ATOM 20 CA SER A 403 20.313 10.749 6.720 1.00 0.00 C ATOM 21 C SER A 403 20.037 9.250 6.661 1.00 0.00 C ATOM 22 O SER A 403 20.067 8.561 7.679 1.00 0.00 O ATOM 23 CB SER A 403 19.035 11.527 6.400 1.00 0.00 C ATOM 24 OG SER A 403 18.624 11.305 5.062 1.00 0.00 O ATOM 0 H SER A 403 21.131 11.017 4.808 1.00 0.00 H new ATOM 0 HA SER A 403 20.641 11.001 7.729 1.00 0.00 H new ATOM 0 HB2 SER A 403 18.241 11.224 7.083 1.00 0.00 H new ATOM 0 HB3 SER A 403 19.204 12.592 6.560 1.00 0.00 H new ATOM 0 HG SER A 403 17.804 11.812 4.883 1.00 0.00 H new ATOM 30 N GLY A 404 19.768 8.751 5.458 1.00 0.00 N ATOM 31 CA GLY A 404 19.491 7.337 5.286 1.00 0.00 C ATOM 32 C GLY A 404 18.030 7.065 4.986 1.00 0.00 C ATOM 33 O GLY A 404 17.315 6.497 5.812 1.00 0.00 O ATOM 0 H GLY A 404 19.737 9.301 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 404 20.104 6.946 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 404 19.779 6.801 6.190 1.00 0.00 H new ATOM 37 N SER A 405 17.584 7.474 3.803 1.00 0.00 N ATOM 38 CA SER A 405 16.197 7.276 3.398 1.00 0.00 C ATOM 39 C SER A 405 16.119 6.721 1.979 1.00 0.00 C ATOM 40 O SER A 405 15.382 5.773 1.711 1.00 0.00 O ATOM 41 CB SER A 405 15.425 8.594 3.486 1.00 0.00 C ATOM 42 OG SER A 405 15.554 9.175 4.772 1.00 0.00 O ATOM 0 H SER A 405 18.163 7.945 3.108 1.00 0.00 H new ATOM 0 HA SER A 405 15.746 6.553 4.077 1.00 0.00 H new ATOM 0 HB2 SER A 405 15.796 9.287 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 405 14.372 8.418 3.267 1.00 0.00 H new ATOM 0 HG SER A 405 15.053 10.017 4.802 1.00 0.00 H new ATOM 48 N SER A 406 16.886 7.321 1.073 1.00 0.00 N ATOM 49 CA SER A 406 16.902 6.890 -0.320 1.00 0.00 C ATOM 50 C SER A 406 17.404 5.455 -0.440 1.00 0.00 C ATOM 51 O SER A 406 18.425 5.092 0.143 1.00 0.00 O ATOM 52 CB SER A 406 17.783 7.822 -1.154 1.00 0.00 C ATOM 53 OG SER A 406 17.635 7.561 -2.539 1.00 0.00 O ATOM 0 H SER A 406 17.504 8.106 1.279 1.00 0.00 H new ATOM 0 HA SER A 406 15.881 6.931 -0.699 1.00 0.00 H new ATOM 0 HB2 SER A 406 17.519 8.859 -0.946 1.00 0.00 H new ATOM 0 HB3 SER A 406 18.827 7.695 -0.866 1.00 0.00 H new ATOM 0 HG SER A 406 18.207 8.171 -3.050 1.00 0.00 H new ATOM 59 N GLY A 407 16.677 4.641 -1.200 1.00 0.00 N ATOM 60 CA GLY A 407 17.064 3.254 -1.383 1.00 0.00 C ATOM 61 C GLY A 407 16.887 2.787 -2.814 1.00 0.00 C ATOM 62 O GLY A 407 16.832 3.600 -3.737 1.00 0.00 O ATOM 0 H GLY A 407 15.827 4.917 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 407 18.106 3.129 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 407 16.469 2.624 -0.722 1.00 0.00 H new ATOM 66 N SER A 408 16.801 1.474 -3.000 1.00 0.00 N ATOM 67 CA SER A 408 16.636 0.900 -4.330 1.00 0.00 C ATOM 68 C SER A 408 15.190 1.026 -4.801 1.00 0.00 C ATOM 69 O SER A 408 14.254 0.845 -4.023 1.00 0.00 O ATOM 70 CB SER A 408 17.057 -0.571 -4.330 1.00 0.00 C ATOM 71 OG SER A 408 18.468 -0.698 -4.302 1.00 0.00 O ATOM 0 H SER A 408 16.843 0.788 -2.247 1.00 0.00 H new ATOM 0 HA SER A 408 17.274 1.454 -5.019 1.00 0.00 H new ATOM 0 HB2 SER A 408 16.626 -1.076 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 408 16.662 -1.066 -5.217 1.00 0.00 H new ATOM 0 HG SER A 408 18.711 -1.647 -4.301 1.00 0.00 H new ATOM 77 N VAL A 409 15.017 1.339 -6.081 1.00 0.00 N ATOM 78 CA VAL A 409 13.686 1.490 -6.658 1.00 0.00 C ATOM 79 C VAL A 409 13.482 0.532 -7.827 1.00 0.00 C ATOM 80 O VAL A 409 14.336 0.418 -8.705 1.00 0.00 O ATOM 81 CB VAL A 409 13.444 2.932 -7.141 1.00 0.00 C ATOM 82 CG1 VAL A 409 12.050 3.069 -7.734 1.00 0.00 C ATOM 83 CG2 VAL A 409 13.646 3.917 -6.000 1.00 0.00 C ATOM 0 H VAL A 409 15.782 1.493 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 409 12.971 1.254 -5.870 1.00 0.00 H new ATOM 0 HB VAL A 409 14.169 3.162 -7.921 1.00 0.00 H new ATOM 0 HG11 VAL A 409 11.897 4.095 -8.070 1.00 0.00 H new ATOM 0 HG12 VAL A 409 11.946 2.390 -8.581 1.00 0.00 H new ATOM 0 HG13 VAL A 409 11.306 2.820 -6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 409 13.471 4.931 -6.359 1.00 0.00 H new ATOM 0 HG22 VAL A 409 12.946 3.691 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 409 14.667 3.836 -5.626 1.00 0.00 H new ATOM 93 N GLY A 410 12.344 -0.154 -7.831 1.00 0.00 N ATOM 94 CA GLY A 410 12.047 -1.093 -8.897 1.00 0.00 C ATOM 95 C GLY A 410 10.561 -1.209 -9.171 1.00 0.00 C ATOM 96 O GLY A 410 10.074 -2.273 -9.555 1.00 0.00 O ATOM 0 H GLY A 410 11.622 -0.077 -7.115 1.00 0.00 H new ATOM 0 HA2 GLY A 410 12.557 -0.778 -9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 410 12.442 -2.074 -8.633 1.00 0.00 H new ATOM 100 N LYS A 411 9.837 -0.113 -8.972 1.00 0.00 N ATOM 101 CA LYS A 411 8.396 -0.096 -9.199 1.00 0.00 C ATOM 102 C LYS A 411 7.991 1.120 -10.026 1.00 0.00 C ATOM 103 O LYS A 411 7.837 2.228 -9.512 1.00 0.00 O ATOM 104 CB LYS A 411 7.649 -0.089 -7.863 1.00 0.00 C ATOM 105 CG LYS A 411 7.485 -1.470 -7.251 1.00 0.00 C ATOM 106 CD LYS A 411 8.664 -1.828 -6.361 1.00 0.00 C ATOM 107 CE LYS A 411 8.596 -3.277 -5.903 1.00 0.00 C ATOM 108 NZ LYS A 411 9.479 -3.530 -4.731 1.00 0.00 N ATOM 0 H LYS A 411 10.224 0.775 -8.654 1.00 0.00 H new ATOM 0 HA LYS A 411 8.129 -0.996 -9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 411 8.184 0.550 -7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 411 6.664 0.354 -8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 411 6.564 -1.504 -6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 411 7.388 -2.211 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 411 9.595 -1.660 -6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 411 8.678 -1.171 -5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 411 7.567 -3.528 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 411 8.887 -3.932 -6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 9.404 -4.528 -4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 10.464 -3.315 -4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 9.186 -2.924 -3.938 1.00 0.00 H new ATOM 122 N PRO A 412 7.812 0.910 -11.339 1.00 0.00 N ATOM 123 CA PRO A 412 7.420 1.977 -12.265 1.00 0.00 C ATOM 124 C PRO A 412 5.983 2.438 -12.043 1.00 0.00 C ATOM 125 O PRO A 412 5.709 3.637 -11.980 1.00 0.00 O ATOM 126 CB PRO A 412 7.565 1.323 -13.641 1.00 0.00 C ATOM 127 CG PRO A 412 7.402 -0.136 -13.387 1.00 0.00 C ATOM 128 CD PRO A 412 7.978 -0.385 -12.020 1.00 0.00 C ATOM 0 HA PRO A 412 8.029 2.872 -12.137 1.00 0.00 H new ATOM 0 HB2 PRO A 412 6.810 1.691 -14.335 1.00 0.00 H new ATOM 0 HB3 PRO A 412 8.537 1.542 -14.083 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.351 -0.424 -13.426 1.00 0.00 H new ATOM 0 HG3 PRO A 412 7.922 -0.724 -14.143 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.448 -1.183 -11.500 1.00 0.00 H new ATOM 0 HD3 PRO A 412 9.026 -0.680 -12.073 1.00 0.00 H new ATOM 136 N TYR A 413 5.071 1.480 -11.924 1.00 0.00 N ATOM 137 CA TYR A 413 3.662 1.788 -11.711 1.00 0.00 C ATOM 138 C TYR A 413 3.463 2.549 -10.403 1.00 0.00 C ATOM 139 O TYR A 413 3.318 1.947 -9.339 1.00 0.00 O ATOM 140 CB TYR A 413 2.833 0.503 -11.698 1.00 0.00 C ATOM 141 CG TYR A 413 2.830 -0.229 -13.021 1.00 0.00 C ATOM 142 CD1 TYR A 413 3.601 0.217 -14.086 1.00 0.00 C ATOM 143 CD2 TYR A 413 2.056 -1.368 -13.205 1.00 0.00 C ATOM 144 CE1 TYR A 413 3.601 -0.448 -15.297 1.00 0.00 C ATOM 145 CE2 TYR A 413 2.050 -2.041 -14.411 1.00 0.00 C ATOM 146 CZ TYR A 413 2.823 -1.577 -15.454 1.00 0.00 C ATOM 147 OH TYR A 413 2.821 -2.243 -16.658 1.00 0.00 O ATOM 0 H TYR A 413 5.282 0.483 -11.971 1.00 0.00 H new ATOM 0 HA TYR A 413 3.326 2.420 -12.533 1.00 0.00 H new ATOM 0 HB2 TYR A 413 3.220 -0.161 -10.926 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.806 0.746 -11.424 1.00 0.00 H new ATOM 0 HD1 TYR A 413 4.212 1.100 -13.966 1.00 0.00 H new ATOM 0 HD2 TYR A 413 1.448 -1.734 -12.391 1.00 0.00 H new ATOM 0 HE1 TYR A 413 4.206 -0.087 -16.115 1.00 0.00 H new ATOM 0 HE2 TYR A 413 1.443 -2.926 -14.536 1.00 0.00 H new ATOM 0 HH TYR A 413 2.222 -3.017 -16.603 1.00 0.00 H new ATOM 157 N ILE A 414 3.455 3.874 -10.493 1.00 0.00 N ATOM 158 CA ILE A 414 3.271 4.718 -9.319 1.00 0.00 C ATOM 159 C ILE A 414 1.825 5.186 -9.199 1.00 0.00 C ATOM 160 O ILE A 414 1.246 5.701 -10.156 1.00 0.00 O ATOM 161 CB ILE A 414 4.196 5.949 -9.360 1.00 0.00 C ATOM 162 CG1 ILE A 414 5.661 5.512 -9.413 1.00 0.00 C ATOM 163 CG2 ILE A 414 3.947 6.839 -8.151 1.00 0.00 C ATOM 164 CD1 ILE A 414 5.997 4.404 -8.439 1.00 0.00 C ATOM 0 H ILE A 414 3.574 4.387 -11.367 1.00 0.00 H new ATOM 0 HA ILE A 414 3.527 4.111 -8.451 1.00 0.00 H new ATOM 0 HB ILE A 414 3.974 6.522 -10.261 1.00 0.00 H new ATOM 0 HG12 ILE A 414 5.896 5.180 -10.424 1.00 0.00 H new ATOM 0 HG13 ILE A 414 6.296 6.373 -9.205 1.00 0.00 H new ATOM 0 HG21 ILE A 414 4.608 7.705 -8.194 1.00 0.00 H new ATOM 0 HG22 ILE A 414 2.910 7.174 -8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 414 4.145 6.277 -7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 414 7.052 4.145 -8.532 1.00 0.00 H new ATOM 0 HD12 ILE A 414 5.794 4.740 -7.422 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.388 3.528 -8.660 1.00 0.00 H new ATOM 176 N CYS A 415 1.247 5.006 -8.016 1.00 0.00 N ATOM 177 CA CYS A 415 -0.132 5.410 -7.768 1.00 0.00 C ATOM 178 C CYS A 415 -0.332 6.887 -8.098 1.00 0.00 C ATOM 179 O CYS A 415 0.461 7.736 -7.693 1.00 0.00 O ATOM 180 CB CYS A 415 -0.509 5.146 -6.310 1.00 0.00 C ATOM 181 SG CYS A 415 -2.292 5.292 -5.964 1.00 0.00 S ATOM 0 H CYS A 415 1.713 4.583 -7.213 1.00 0.00 H new ATOM 0 HA CYS A 415 -0.780 4.819 -8.415 1.00 0.00 H new ATOM 0 HB2 CYS A 415 -0.178 4.144 -6.036 1.00 0.00 H new ATOM 0 HB3 CYS A 415 0.032 5.846 -5.674 1.00 0.00 H new ATOM 186 N GLN A 416 -1.399 7.184 -8.834 1.00 0.00 N ATOM 187 CA GLN A 416 -1.703 8.557 -9.217 1.00 0.00 C ATOM 188 C GLN A 416 -2.641 9.209 -8.207 1.00 0.00 C ATOM 189 O GLN A 416 -3.317 10.191 -8.516 1.00 0.00 O ATOM 190 CB GLN A 416 -2.332 8.592 -10.611 1.00 0.00 C ATOM 191 CG GLN A 416 -1.413 8.076 -11.706 1.00 0.00 C ATOM 192 CD GLN A 416 -0.410 9.116 -12.165 1.00 0.00 C ATOM 193 OE1 GLN A 416 -0.781 10.155 -12.711 1.00 0.00 O ATOM 194 NE2 GLN A 416 0.870 8.841 -11.944 1.00 0.00 N ATOM 0 H GLN A 416 -2.066 6.493 -9.176 1.00 0.00 H new ATOM 0 HA GLN A 416 -0.769 9.119 -9.233 1.00 0.00 H new ATOM 0 HB2 GLN A 416 -3.245 7.996 -10.604 1.00 0.00 H new ATOM 0 HB3 GLN A 416 -2.622 9.617 -10.844 1.00 0.00 H new ATOM 0 HG2 GLN A 416 -0.879 7.198 -11.343 1.00 0.00 H new ATOM 0 HG3 GLN A 416 -2.013 7.755 -12.557 1.00 0.00 H new ATOM 0 HE21 GLN A 416 1.133 7.967 -11.488 1.00 0.00 H new ATOM 0 HE22 GLN A 416 1.591 9.504 -12.230 1.00 0.00 H new ATOM 203 N SER A 417 -2.678 8.656 -6.998 1.00 0.00 N ATOM 204 CA SER A 417 -3.537 9.182 -5.943 1.00 0.00 C ATOM 205 C SER A 417 -2.707 9.661 -4.756 1.00 0.00 C ATOM 206 O SER A 417 -2.904 10.766 -4.251 1.00 0.00 O ATOM 207 CB SER A 417 -4.532 8.114 -5.487 1.00 0.00 C ATOM 208 OG SER A 417 -5.730 8.177 -6.242 1.00 0.00 O ATOM 0 H SER A 417 -2.123 7.845 -6.725 1.00 0.00 H new ATOM 0 HA SER A 417 -4.087 10.032 -6.346 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.084 7.126 -5.592 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.757 8.250 -4.429 1.00 0.00 H new ATOM 0 HG SER A 417 -6.349 7.483 -5.932 1.00 0.00 H new ATOM 214 N CYS A 418 -1.778 8.820 -4.314 1.00 0.00 N ATOM 215 CA CYS A 418 -0.917 9.154 -3.186 1.00 0.00 C ATOM 216 C CYS A 418 0.541 9.253 -3.625 1.00 0.00 C ATOM 217 O CYS A 418 1.278 10.129 -3.174 1.00 0.00 O ATOM 218 CB CYS A 418 -1.059 8.105 -2.081 1.00 0.00 C ATOM 219 SG CYS A 418 -0.747 6.397 -2.633 1.00 0.00 S ATOM 0 H CYS A 418 -1.602 7.901 -4.720 1.00 0.00 H new ATOM 0 HA CYS A 418 -1.228 10.124 -2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -0.367 8.347 -1.274 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -2.065 8.163 -1.666 1.00 0.00 H new ATOM 224 N GLY A 419 0.951 8.347 -4.508 1.00 0.00 N ATOM 225 CA GLY A 419 2.318 8.350 -4.993 1.00 0.00 C ATOM 226 C GLY A 419 3.022 7.029 -4.751 1.00 0.00 C ATOM 227 O GLY A 419 4.228 6.910 -4.967 1.00 0.00 O ATOM 0 H GLY A 419 0.360 7.611 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 419 2.321 8.570 -6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 419 2.873 9.149 -4.502 1.00 0.00 H new ATOM 231 N LYS A 420 2.268 6.033 -4.299 1.00 0.00 N ATOM 232 CA LYS A 420 2.825 4.714 -4.026 1.00 0.00 C ATOM 233 C LYS A 420 3.473 4.127 -5.276 1.00 0.00 C ATOM 234 O LYS A 420 3.479 4.753 -6.335 1.00 0.00 O ATOM 235 CB LYS A 420 1.732 3.771 -3.515 1.00 0.00 C ATOM 236 CG LYS A 420 1.575 3.784 -2.005 1.00 0.00 C ATOM 237 CD LYS A 420 0.933 2.503 -1.500 1.00 0.00 C ATOM 238 CE LYS A 420 0.745 2.531 0.009 1.00 0.00 C ATOM 239 NZ LYS A 420 0.666 1.159 0.584 1.00 0.00 N ATOM 0 H LYS A 420 1.268 6.115 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 420 3.591 4.823 -3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 420 0.782 4.047 -3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 420 1.959 2.756 -3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 420 2.552 3.911 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 420 0.966 4.638 -1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -0.033 2.363 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 420 1.554 1.651 -1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 420 1.574 3.070 0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -0.165 3.079 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 0.538 1.221 1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -0.140 0.653 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 1.545 0.644 0.375 1.00 0.00 H new ATOM 253 N GLY A 421 4.018 2.921 -5.145 1.00 0.00 N ATOM 254 CA GLY A 421 4.659 2.271 -6.273 1.00 0.00 C ATOM 255 C GLY A 421 4.504 0.763 -6.237 1.00 0.00 C ATOM 256 O GLY A 421 4.515 0.156 -5.167 1.00 0.00 O ATOM 0 H GLY A 421 4.027 2.383 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 421 4.233 2.655 -7.200 1.00 0.00 H new ATOM 0 HA3 GLY A 421 5.719 2.524 -6.280 1.00 0.00 H new ATOM 260 N PHE A 422 4.358 0.158 -7.411 1.00 0.00 N ATOM 261 CA PHE A 422 4.197 -1.288 -7.511 1.00 0.00 C ATOM 262 C PHE A 422 5.000 -1.846 -8.682 1.00 0.00 C ATOM 263 O PHE A 422 5.704 -1.109 -9.373 1.00 0.00 O ATOM 264 CB PHE A 422 2.718 -1.648 -7.674 1.00 0.00 C ATOM 265 CG PHE A 422 1.867 -1.229 -6.510 1.00 0.00 C ATOM 266 CD1 PHE A 422 1.658 0.113 -6.234 1.00 0.00 C ATOM 267 CD2 PHE A 422 1.275 -2.177 -5.691 1.00 0.00 C ATOM 268 CE1 PHE A 422 0.876 0.500 -5.163 1.00 0.00 C ATOM 269 CE2 PHE A 422 0.491 -1.795 -4.618 1.00 0.00 C ATOM 270 CZ PHE A 422 0.291 -0.455 -4.355 1.00 0.00 C ATOM 0 H PHE A 422 4.348 0.646 -8.306 1.00 0.00 H new ATOM 0 HA PHE A 422 4.573 -1.734 -6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 422 2.336 -1.179 -8.581 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.628 -2.726 -7.811 1.00 0.00 H new ATOM 0 HD1 PHE A 422 2.112 0.865 -6.863 1.00 0.00 H new ATOM 0 HD2 PHE A 422 1.428 -3.227 -5.893 1.00 0.00 H new ATOM 0 HE1 PHE A 422 0.722 1.549 -4.958 1.00 0.00 H new ATOM 0 HE2 PHE A 422 0.036 -2.544 -3.987 1.00 0.00 H new ATOM 0 HZ PHE A 422 -0.322 -0.154 -3.519 1.00 0.00 H new ATOM 280 N SER A 423 4.890 -3.152 -8.899 1.00 0.00 N ATOM 281 CA SER A 423 5.609 -3.811 -9.983 1.00 0.00 C ATOM 282 C SER A 423 4.641 -4.311 -11.052 1.00 0.00 C ATOM 283 O SER A 423 4.948 -4.285 -12.244 1.00 0.00 O ATOM 284 CB SER A 423 6.435 -4.978 -9.441 1.00 0.00 C ATOM 285 OG SER A 423 7.307 -4.550 -8.409 1.00 0.00 O ATOM 0 H SER A 423 4.309 -3.776 -8.338 1.00 0.00 H new ATOM 0 HA SER A 423 6.279 -3.081 -10.437 1.00 0.00 H new ATOM 0 HB2 SER A 423 5.769 -5.753 -9.061 1.00 0.00 H new ATOM 0 HB3 SER A 423 7.014 -5.424 -10.249 1.00 0.00 H new ATOM 0 HG SER A 423 7.823 -5.315 -8.078 1.00 0.00 H new ATOM 291 N ARG A 424 3.471 -4.765 -10.615 1.00 0.00 N ATOM 292 CA ARG A 424 2.458 -5.273 -11.533 1.00 0.00 C ATOM 293 C ARG A 424 1.255 -4.336 -11.586 1.00 0.00 C ATOM 294 O ARG A 424 0.981 -3.583 -10.651 1.00 0.00 O ATOM 295 CB ARG A 424 2.010 -6.672 -11.109 1.00 0.00 C ATOM 296 CG ARG A 424 3.074 -7.739 -11.309 1.00 0.00 C ATOM 297 CD ARG A 424 2.453 -9.099 -11.588 1.00 0.00 C ATOM 298 NE ARG A 424 3.463 -10.148 -11.705 1.00 0.00 N ATOM 299 CZ ARG A 424 3.182 -11.446 -11.667 1.00 0.00 C ATOM 300 NH1 ARG A 424 1.929 -11.852 -11.517 1.00 0.00 N ATOM 301 NH2 ARG A 424 4.155 -12.340 -11.781 1.00 0.00 N ATOM 0 H ARG A 424 3.201 -4.792 -9.632 1.00 0.00 H new ATOM 0 HA ARG A 424 2.899 -5.327 -12.528 1.00 0.00 H new ATOM 0 HB2 ARG A 424 1.723 -6.649 -10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 424 1.121 -6.947 -11.676 1.00 0.00 H new ATOM 0 HG2 ARG A 424 3.723 -7.457 -12.138 1.00 0.00 H new ATOM 0 HG3 ARG A 424 3.702 -7.800 -10.420 1.00 0.00 H new ATOM 0 HD2 ARG A 424 1.759 -9.352 -10.787 1.00 0.00 H new ATOM 0 HD3 ARG A 424 1.872 -9.050 -12.509 1.00 0.00 H new ATOM 0 HE ARG A 424 4.437 -9.869 -11.822 1.00 0.00 H new ATOM 0 HH11 ARG A 424 1.178 -11.167 -11.430 1.00 0.00 H new ATOM 0 HH12 ARG A 424 1.716 -12.849 -11.488 1.00 0.00 H new ATOM 0 HH21 ARG A 424 5.120 -12.031 -11.898 1.00 0.00 H new ATOM 0 HH22 ARG A 424 3.938 -13.336 -11.752 1.00 0.00 H new ATOM 315 N PRO A 425 0.518 -4.382 -12.707 1.00 0.00 N ATOM 316 CA PRO A 425 -0.667 -3.544 -12.909 1.00 0.00 C ATOM 317 C PRO A 425 -1.829 -3.957 -12.012 1.00 0.00 C ATOM 318 O PRO A 425 -2.656 -3.129 -11.630 1.00 0.00 O ATOM 319 CB PRO A 425 -1.019 -3.777 -14.380 1.00 0.00 C ATOM 320 CG PRO A 425 -0.457 -5.119 -14.696 1.00 0.00 C ATOM 321 CD PRO A 425 0.786 -5.255 -13.862 1.00 0.00 C ATOM 0 HA PRO A 425 -0.475 -2.500 -12.662 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -2.097 -3.752 -14.538 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -0.586 -3.006 -15.018 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -1.173 -5.907 -14.461 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -0.226 -5.205 -15.758 1.00 0.00 H new ATOM 0 HD2 PRO A 425 0.953 -6.287 -13.555 1.00 0.00 H new ATOM 0 HD3 PRO A 425 1.674 -4.937 -14.409 1.00 0.00 H new ATOM 329 N ASP A 426 -1.885 -5.242 -11.678 1.00 0.00 N ATOM 330 CA ASP A 426 -2.945 -5.764 -10.824 1.00 0.00 C ATOM 331 C ASP A 426 -2.651 -5.475 -9.355 1.00 0.00 C ATOM 332 O ASP A 426 -3.566 -5.276 -8.555 1.00 0.00 O ATOM 333 CB ASP A 426 -3.105 -7.270 -11.037 1.00 0.00 C ATOM 334 CG ASP A 426 -4.463 -7.777 -10.592 1.00 0.00 C ATOM 335 OD1 ASP A 426 -4.877 -7.446 -9.461 1.00 0.00 O ATOM 336 OD2 ASP A 426 -5.111 -8.504 -11.373 1.00 0.00 O ATOM 0 H ASP A 426 -1.209 -5.941 -11.986 1.00 0.00 H new ATOM 0 HA ASP A 426 -3.875 -5.265 -11.095 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -2.962 -7.502 -12.092 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -2.326 -7.797 -10.486 1.00 0.00 H new ATOM 341 N HIS A 427 -1.369 -5.454 -9.006 1.00 0.00 N ATOM 342 CA HIS A 427 -0.954 -5.190 -7.633 1.00 0.00 C ATOM 343 C HIS A 427 -1.323 -3.768 -7.218 1.00 0.00 C ATOM 344 O HIS A 427 -1.943 -3.556 -6.174 1.00 0.00 O ATOM 345 CB HIS A 427 0.552 -5.402 -7.482 1.00 0.00 C ATOM 346 CG HIS A 427 0.970 -6.835 -7.606 1.00 0.00 C ATOM 347 ND1 HIS A 427 2.264 -7.220 -7.888 1.00 0.00 N ATOM 348 CD2 HIS A 427 0.257 -7.979 -7.484 1.00 0.00 C ATOM 349 CE1 HIS A 427 2.328 -8.539 -7.935 1.00 0.00 C ATOM 350 NE2 HIS A 427 1.124 -9.024 -7.693 1.00 0.00 N ATOM 0 H HIS A 427 -0.599 -5.617 -9.655 1.00 0.00 H new ATOM 0 HA HIS A 427 -1.478 -5.889 -6.981 1.00 0.00 H new ATOM 0 HB2 HIS A 427 1.071 -4.814 -8.239 1.00 0.00 H new ATOM 0 HB3 HIS A 427 0.869 -5.022 -6.511 1.00 0.00 H new ATOM 0 HD2 HIS A 427 -0.797 -8.056 -7.263 1.00 0.00 H new ATOM 0 HE1 HIS A 427 3.215 -9.122 -8.137 1.00 0.00 H new ATOM 0 HE2 HIS A 427 0.878 -10.013 -7.666 1.00 0.00 H new ATOM 358 N LEU A 428 -0.938 -2.799 -8.040 1.00 0.00 N ATOM 359 CA LEU A 428 -1.228 -1.397 -7.758 1.00 0.00 C ATOM 360 C LEU A 428 -2.732 -1.143 -7.750 1.00 0.00 C ATOM 361 O LEU A 428 -3.251 -0.459 -6.869 1.00 0.00 O ATOM 362 CB LEU A 428 -0.553 -0.498 -8.796 1.00 0.00 C ATOM 363 CG LEU A 428 -1.141 0.905 -8.953 1.00 0.00 C ATOM 364 CD1 LEU A 428 -0.977 1.699 -7.666 1.00 0.00 C ATOM 365 CD2 LEU A 428 -0.485 1.631 -10.118 1.00 0.00 C ATOM 0 H LEU A 428 -0.424 -2.957 -8.907 1.00 0.00 H new ATOM 0 HA LEU A 428 -0.833 -1.161 -6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 428 0.500 -0.401 -8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 428 -0.596 -0.998 -9.763 1.00 0.00 H new ATOM 0 HG LEU A 428 -2.206 0.811 -9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 428 -1.401 2.695 -7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 428 -1.495 1.187 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 428 0.082 1.785 -7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 428 -0.916 2.628 -10.215 1.00 0.00 H new ATOM 0 HD22 LEU A 428 0.587 1.715 -9.937 1.00 0.00 H new ATOM 0 HD23 LEU A 428 -0.655 1.071 -11.038 1.00 0.00 H new ATOM 377 N ASN A 429 -3.426 -1.700 -8.737 1.00 0.00 N ATOM 378 CA ASN A 429 -4.872 -1.535 -8.843 1.00 0.00 C ATOM 379 C ASN A 429 -5.554 -1.853 -7.516 1.00 0.00 C ATOM 380 O ASN A 429 -6.326 -1.050 -6.994 1.00 0.00 O ATOM 381 CB ASN A 429 -5.430 -2.436 -9.945 1.00 0.00 C ATOM 382 CG ASN A 429 -5.424 -1.761 -11.303 1.00 0.00 C ATOM 383 OD1 ASN A 429 -4.501 -0.825 -11.494 1.00 0.00 O flip ATOM 384 ND2 ASN A 429 -6.239 -2.077 -12.170 1.00 0.00 N flip ATOM 0 H ASN A 429 -3.011 -2.269 -9.475 1.00 0.00 H new ATOM 0 HA ASN A 429 -5.076 -0.495 -9.096 1.00 0.00 H new ATOM 0 HB2 ASN A 429 -4.841 -3.352 -9.995 1.00 0.00 H new ATOM 0 HB3 ASN A 429 -6.449 -2.727 -9.691 1.00 0.00 H new ATOM 0 HD21 ASN A 429 -6.931 -2.802 -11.980 1.00 0.00 H new ATOM 0 HD22 ASN A 429 -6.222 -1.614 -13.079 1.00 0.00 H new ATOM 391 N GLY A 430 -5.262 -3.032 -6.975 1.00 0.00 N ATOM 392 CA GLY A 430 -5.855 -3.437 -5.713 1.00 0.00 C ATOM 393 C GLY A 430 -5.750 -2.360 -4.652 1.00 0.00 C ATOM 394 O GLY A 430 -6.682 -2.150 -3.875 1.00 0.00 O ATOM 0 H GLY A 430 -4.626 -3.714 -7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -6.904 -3.686 -5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -5.363 -4.342 -5.358 1.00 0.00 H new ATOM 398 N HIS A 431 -4.611 -1.676 -4.615 1.00 0.00 N ATOM 399 CA HIS A 431 -4.386 -0.615 -3.640 1.00 0.00 C ATOM 400 C HIS A 431 -5.300 0.576 -3.912 1.00 0.00 C ATOM 401 O HIS A 431 -5.872 1.155 -2.988 1.00 0.00 O ATOM 402 CB HIS A 431 -2.924 -0.168 -3.668 1.00 0.00 C ATOM 403 CG HIS A 431 -2.724 1.251 -3.231 1.00 0.00 C ATOM 404 ND1 HIS A 431 -2.623 1.624 -1.908 1.00 0.00 N ATOM 405 CD2 HIS A 431 -2.603 2.390 -3.952 1.00 0.00 C ATOM 406 CE1 HIS A 431 -2.451 2.931 -1.833 1.00 0.00 C ATOM 407 NE2 HIS A 431 -2.434 3.420 -3.060 1.00 0.00 N ATOM 0 H HIS A 431 -3.829 -1.838 -5.250 1.00 0.00 H new ATOM 0 HA HIS A 431 -4.618 -1.010 -2.651 1.00 0.00 H new ATOM 0 HB2 HIS A 431 -2.339 -0.824 -3.023 1.00 0.00 H new ATOM 0 HB3 HIS A 431 -2.536 -0.286 -4.680 1.00 0.00 H new ATOM 0 HD1 HIS A 431 -2.673 0.989 -1.111 1.00 0.00 H new ATOM 0 HD2 HIS A 431 -2.634 2.473 -5.028 1.00 0.00 H new ATOM 0 HE1 HIS A 431 -2.343 3.503 -0.923 1.00 0.00 H new ATOM 415 N ILE A 432 -5.432 0.936 -5.184 1.00 0.00 N ATOM 416 CA ILE A 432 -6.276 2.057 -5.577 1.00 0.00 C ATOM 417 C ILE A 432 -7.754 1.701 -5.455 1.00 0.00 C ATOM 418 O ILE A 432 -8.613 2.581 -5.391 1.00 0.00 O ATOM 419 CB ILE A 432 -5.985 2.502 -7.023 1.00 0.00 C ATOM 420 CG1 ILE A 432 -4.475 2.558 -7.267 1.00 0.00 C ATOM 421 CG2 ILE A 432 -6.622 3.855 -7.299 1.00 0.00 C ATOM 422 CD1 ILE A 432 -4.106 3.004 -8.665 1.00 0.00 C ATOM 0 H ILE A 432 -4.965 0.467 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 432 -6.045 2.879 -4.899 1.00 0.00 H new ATOM 0 HB ILE A 432 -6.419 1.772 -7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 432 -4.023 3.239 -6.546 1.00 0.00 H new ATOM 0 HG13 ILE A 432 -4.049 1.572 -7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 432 -6.407 4.156 -8.324 1.00 0.00 H new ATOM 0 HG22 ILE A 432 -7.701 3.784 -7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 432 -6.215 4.596 -6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 432 -3.021 3.021 -8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 432 -4.528 2.310 -9.392 1.00 0.00 H new ATOM 0 HD13 ILE A 432 -4.503 4.003 -8.845 1.00 0.00 H new ATOM 434 N LYS A 433 -8.044 0.405 -5.422 1.00 0.00 N ATOM 435 CA LYS A 433 -9.418 -0.069 -5.304 1.00 0.00 C ATOM 436 C LYS A 433 -9.672 -0.661 -3.921 1.00 0.00 C ATOM 437 O LYS A 433 -10.768 -1.145 -3.636 1.00 0.00 O ATOM 438 CB LYS A 433 -9.712 -1.116 -6.381 1.00 0.00 C ATOM 439 CG LYS A 433 -10.969 -1.927 -6.114 1.00 0.00 C ATOM 440 CD LYS A 433 -11.376 -2.740 -7.331 1.00 0.00 C ATOM 441 CE LYS A 433 -12.857 -3.088 -7.298 1.00 0.00 C ATOM 442 NZ LYS A 433 -13.373 -3.442 -8.649 1.00 0.00 N ATOM 0 H LYS A 433 -7.346 -0.336 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 433 -10.084 0.783 -5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -9.810 -0.616 -7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -8.862 -1.794 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -10.800 -2.595 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -11.782 -1.258 -5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -11.153 -2.177 -8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -10.787 -3.656 -7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -13.019 -3.924 -6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -13.420 -2.242 -6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -14.385 -3.673 -8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -13.242 -2.636 -9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -12.853 -4.265 -9.015 1.00 0.00 H new ATOM 456 N GLN A 434 -8.655 -0.619 -3.068 1.00 0.00 N ATOM 457 CA GLN A 434 -8.770 -1.151 -1.715 1.00 0.00 C ATOM 458 C GLN A 434 -8.522 -0.061 -0.678 1.00 0.00 C ATOM 459 O GLN A 434 -9.054 -0.112 0.431 1.00 0.00 O ATOM 460 CB GLN A 434 -7.780 -2.300 -1.511 1.00 0.00 C ATOM 461 CG GLN A 434 -7.829 -2.904 -0.117 1.00 0.00 C ATOM 462 CD GLN A 434 -9.186 -3.492 0.217 1.00 0.00 C ATOM 463 OE1 GLN A 434 -9.995 -2.866 0.904 1.00 0.00 O ATOM 464 NE2 GLN A 434 -9.444 -4.701 -0.268 1.00 0.00 N ATOM 0 H GLN A 434 -7.742 -0.222 -3.289 1.00 0.00 H new ATOM 0 HA GLN A 434 -9.785 -1.527 -1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -7.986 -3.080 -2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -6.771 -1.938 -1.706 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -7.070 -3.682 -0.035 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -7.579 -2.137 0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -8.745 -5.184 -0.833 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -10.341 -5.147 -0.076 1.00 0.00 H new ATOM 473 N VAL A 435 -7.711 0.926 -1.046 1.00 0.00 N ATOM 474 CA VAL A 435 -7.394 2.030 -0.148 1.00 0.00 C ATOM 475 C VAL A 435 -7.980 3.341 -0.660 1.00 0.00 C ATOM 476 O VAL A 435 -8.512 4.139 0.113 1.00 0.00 O ATOM 477 CB VAL A 435 -5.872 2.194 0.023 1.00 0.00 C ATOM 478 CG1 VAL A 435 -5.563 3.241 1.082 1.00 0.00 C ATOM 479 CG2 VAL A 435 -5.230 0.861 0.378 1.00 0.00 C ATOM 0 H VAL A 435 -7.262 0.983 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 435 -7.838 1.790 0.818 1.00 0.00 H new ATOM 0 HB VAL A 435 -5.452 2.534 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 435 -4.483 3.343 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 435 -5.990 4.198 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 435 -5.994 2.933 2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 435 -4.155 0.995 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 435 -5.653 0.490 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 435 -5.421 0.141 -0.418 1.00 0.00 H new ATOM 489 N HIS A 436 -7.881 3.557 -1.968 1.00 0.00 N ATOM 490 CA HIS A 436 -8.403 4.771 -2.584 1.00 0.00 C ATOM 491 C HIS A 436 -9.860 4.588 -2.996 1.00 0.00 C ATOM 492 O HIS A 436 -10.578 5.561 -3.231 1.00 0.00 O ATOM 493 CB HIS A 436 -7.560 5.154 -3.801 1.00 0.00 C ATOM 494 CG HIS A 436 -6.191 5.649 -3.450 1.00 0.00 C ATOM 495 ND1 HIS A 436 -5.971 6.741 -2.637 1.00 0.00 N ATOM 496 CD2 HIS A 436 -4.967 5.194 -3.805 1.00 0.00 C ATOM 497 CE1 HIS A 436 -4.671 6.937 -2.508 1.00 0.00 C ATOM 498 NE2 HIS A 436 -4.039 6.011 -3.207 1.00 0.00 N ATOM 0 H HIS A 436 -7.444 2.907 -2.621 1.00 0.00 H new ATOM 0 HA HIS A 436 -8.350 5.574 -1.848 1.00 0.00 H new ATOM 0 HB2 HIS A 436 -7.467 4.287 -4.456 1.00 0.00 H new ATOM 0 HB3 HIS A 436 -8.083 5.926 -4.366 1.00 0.00 H new ATOM 0 HD1 HIS A 436 -6.699 7.309 -2.203 1.00 0.00 H new ATOM 0 HD2 HIS A 436 -4.759 4.346 -4.440 1.00 0.00 H new ATOM 0 HE1 HIS A 436 -4.204 7.721 -1.930 1.00 0.00 H new ATOM 506 N THR A 437 -10.292 3.334 -3.084 1.00 0.00 N ATOM 507 CA THR A 437 -11.663 3.023 -3.470 1.00 0.00 C ATOM 508 C THR A 437 -12.660 3.870 -2.688 1.00 0.00 C ATOM 509 O THR A 437 -12.560 3.995 -1.467 1.00 0.00 O ATOM 510 CB THR A 437 -11.985 1.533 -3.247 1.00 0.00 C ATOM 511 OG1 THR A 437 -13.376 1.291 -3.488 1.00 0.00 O ATOM 512 CG2 THR A 437 -11.630 1.109 -1.830 1.00 0.00 C ATOM 0 H THR A 437 -9.712 2.517 -2.893 1.00 0.00 H new ATOM 0 HA THR A 437 -11.752 3.251 -4.532 1.00 0.00 H new ATOM 0 HB THR A 437 -11.388 0.947 -3.945 1.00 0.00 H new ATOM 0 HG1 THR A 437 -13.572 0.341 -3.346 1.00 0.00 H new ATOM 0 HG21 THR A 437 -11.866 0.053 -1.696 1.00 0.00 H new ATOM 0 HG22 THR A 437 -10.565 1.267 -1.659 1.00 0.00 H new ATOM 0 HG23 THR A 437 -12.204 1.702 -1.118 1.00 0.00 H new ATOM 520 N SER A 438 -13.623 4.449 -3.398 1.00 0.00 N ATOM 521 CA SER A 438 -14.637 5.287 -2.770 1.00 0.00 C ATOM 522 C SER A 438 -15.276 4.571 -1.584 1.00 0.00 C ATOM 523 O SER A 438 -15.429 3.350 -1.593 1.00 0.00 O ATOM 524 CB SER A 438 -15.713 5.672 -3.788 1.00 0.00 C ATOM 525 OG SER A 438 -15.204 6.579 -4.750 1.00 0.00 O ATOM 0 H SER A 438 -13.722 4.353 -4.409 1.00 0.00 H new ATOM 0 HA SER A 438 -14.150 6.192 -2.406 1.00 0.00 H new ATOM 0 HB2 SER A 438 -16.082 4.776 -4.288 1.00 0.00 H new ATOM 0 HB3 SER A 438 -16.561 6.122 -3.272 1.00 0.00 H new ATOM 0 HG SER A 438 -15.910 6.808 -5.390 1.00 0.00 H new ATOM 531 N GLU A 439 -15.646 5.340 -0.565 1.00 0.00 N ATOM 532 CA GLU A 439 -16.267 4.779 0.629 1.00 0.00 C ATOM 533 C GLU A 439 -17.617 5.436 0.900 1.00 0.00 C ATOM 534 O GLU A 439 -17.931 6.488 0.341 1.00 0.00 O ATOM 535 CB GLU A 439 -15.348 4.956 1.840 1.00 0.00 C ATOM 536 CG GLU A 439 -15.686 4.034 3.000 1.00 0.00 C ATOM 537 CD GLU A 439 -14.530 3.866 3.967 1.00 0.00 C ATOM 538 OE1 GLU A 439 -13.659 3.010 3.708 1.00 0.00 O ATOM 539 OE2 GLU A 439 -14.497 4.592 4.983 1.00 0.00 O ATOM 0 H GLU A 439 -15.527 6.353 -0.542 1.00 0.00 H new ATOM 0 HA GLU A 439 -16.429 3.715 0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 439 -14.318 4.777 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 439 -15.404 5.990 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 439 -16.548 4.431 3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 439 -15.974 3.057 2.611 1.00 0.00 H new ATOM 546 N ARG A 440 -18.412 4.809 1.761 1.00 0.00 N ATOM 547 CA ARG A 440 -19.728 5.331 2.106 1.00 0.00 C ATOM 548 C ARG A 440 -19.608 6.594 2.953 1.00 0.00 C ATOM 549 O ARG A 440 -18.705 6.734 3.779 1.00 0.00 O ATOM 550 CB ARG A 440 -20.539 4.275 2.858 1.00 0.00 C ATOM 551 CG ARG A 440 -21.137 3.208 1.955 1.00 0.00 C ATOM 552 CD ARG A 440 -21.421 1.926 2.721 1.00 0.00 C ATOM 553 NE ARG A 440 -20.207 1.346 3.290 1.00 0.00 N ATOM 554 CZ ARG A 440 -20.129 0.099 3.740 1.00 0.00 C ATOM 555 NH1 ARG A 440 -21.189 -0.696 3.687 1.00 0.00 N ATOM 556 NH2 ARG A 440 -18.988 -0.356 4.243 1.00 0.00 N ATOM 0 H ARG A 440 -18.167 3.938 2.232 1.00 0.00 H new ATOM 0 HA ARG A 440 -20.244 5.583 1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 440 -19.898 3.795 3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 440 -21.343 4.768 3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 440 -22.061 3.581 1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 440 -20.451 2.998 1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 440 -22.133 2.132 3.520 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -21.890 1.202 2.055 1.00 0.00 H new ATOM 0 HE ARG A 440 -19.373 1.931 3.345 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -22.067 -0.350 3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -21.126 -1.653 4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -18.170 0.252 4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -18.929 -1.314 4.588 1.00 0.00 H new ATOM 570 N PRO A 441 -20.538 7.538 2.746 1.00 0.00 N ATOM 571 CA PRO A 441 -20.557 8.806 3.481 1.00 0.00 C ATOM 572 C PRO A 441 -20.932 8.620 4.947 1.00 0.00 C ATOM 573 O PRO A 441 -22.111 8.519 5.289 1.00 0.00 O ATOM 574 CB PRO A 441 -21.630 9.621 2.754 1.00 0.00 C ATOM 575 CG PRO A 441 -22.525 8.604 2.135 1.00 0.00 C ATOM 576 CD PRO A 441 -21.643 7.439 1.777 1.00 0.00 C ATOM 0 HA PRO A 441 -19.577 9.283 3.496 1.00 0.00 H new ATOM 0 HB2 PRO A 441 -22.177 10.261 3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 441 -21.189 10.272 1.999 1.00 0.00 H new ATOM 0 HG2 PRO A 441 -23.310 8.301 2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 441 -23.019 9.006 1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 441 -22.173 6.491 1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 441 -21.284 7.507 0.750 1.00 0.00 H new ATOM 584 N HIS A 442 -19.922 8.576 5.810 1.00 0.00 N ATOM 585 CA HIS A 442 -20.147 8.404 7.241 1.00 0.00 C ATOM 586 C HIS A 442 -20.319 9.754 7.931 1.00 0.00 C ATOM 587 O HIS A 442 -19.826 10.775 7.452 1.00 0.00 O ATOM 588 CB HIS A 442 -18.983 7.640 7.873 1.00 0.00 C ATOM 589 CG HIS A 442 -18.739 6.299 7.252 1.00 0.00 C ATOM 590 ND1 HIS A 442 -17.479 5.761 7.093 1.00 0.00 N ATOM 591 CD2 HIS A 442 -19.603 5.385 6.751 1.00 0.00 C ATOM 592 CE1 HIS A 442 -17.579 4.575 6.520 1.00 0.00 C ATOM 593 NE2 HIS A 442 -18.857 4.323 6.302 1.00 0.00 N ATOM 0 H HIS A 442 -18.941 8.657 5.544 1.00 0.00 H new ATOM 0 HA HIS A 442 -21.064 7.829 7.373 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -18.077 8.240 7.789 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -19.181 7.508 8.937 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -20.679 5.474 6.712 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -16.755 3.922 6.272 1.00 0.00 H new ATOM 0 HE2 HIS A 442 -19.229 3.477 5.870 1.00 0.00 H new ATOM 601 N LYS A 443 -21.022 9.751 9.058 1.00 0.00 N ATOM 602 CA LYS A 443 -21.260 10.975 9.815 1.00 0.00 C ATOM 603 C LYS A 443 -19.985 11.805 9.921 1.00 0.00 C ATOM 604 O LYS A 443 -18.952 11.319 10.384 1.00 0.00 O ATOM 605 CB LYS A 443 -21.780 10.640 11.215 1.00 0.00 C ATOM 606 CG LYS A 443 -22.170 11.863 12.027 1.00 0.00 C ATOM 607 CD LYS A 443 -23.518 12.415 11.593 1.00 0.00 C ATOM 608 CE LYS A 443 -24.664 11.566 12.121 1.00 0.00 C ATOM 609 NZ LYS A 443 -24.961 11.862 13.549 1.00 0.00 N ATOM 0 H LYS A 443 -21.437 8.914 9.468 1.00 0.00 H new ATOM 0 HA LYS A 443 -22.011 11.560 9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -22.645 9.983 11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -21.013 10.085 11.755 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -22.206 11.602 13.085 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -21.407 12.634 11.915 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -23.626 13.438 11.953 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -23.563 12.453 10.505 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -25.556 11.745 11.520 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -24.414 10.511 12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -25.748 11.263 13.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -24.118 11.667 14.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -25.225 12.863 13.648 1.00 0.00 H new ATOM 623 N CYS A 444 -20.064 13.060 9.490 1.00 0.00 N ATOM 624 CA CYS A 444 -18.916 13.958 9.537 1.00 0.00 C ATOM 625 C CYS A 444 -19.284 15.276 10.210 1.00 0.00 C ATOM 626 O CYS A 444 -20.462 15.598 10.362 1.00 0.00 O ATOM 627 CB CYS A 444 -18.390 14.221 8.125 1.00 0.00 C ATOM 628 SG CYS A 444 -19.569 15.061 7.043 1.00 0.00 S ATOM 0 H CYS A 444 -20.911 13.478 9.104 1.00 0.00 H new ATOM 0 HA CYS A 444 -18.134 13.478 10.124 1.00 0.00 H new ATOM 0 HB2 CYS A 444 -17.483 14.822 8.193 1.00 0.00 H new ATOM 0 HB3 CYS A 444 -18.109 13.271 7.671 1.00 0.00 H new ATOM 0 HG CYS A 444 -19.032 15.241 5.873 1.00 0.00 H new ATOM 634 N GLN A 445 -18.269 16.034 10.612 1.00 0.00 N ATOM 635 CA GLN A 445 -18.487 17.316 11.270 1.00 0.00 C ATOM 636 C GLN A 445 -18.729 18.420 10.246 1.00 0.00 C ATOM 637 O GLN A 445 -18.167 18.399 9.151 1.00 0.00 O ATOM 638 CB GLN A 445 -17.286 17.673 12.148 1.00 0.00 C ATOM 639 CG GLN A 445 -17.356 17.079 13.546 1.00 0.00 C ATOM 640 CD GLN A 445 -15.988 16.907 14.176 1.00 0.00 C ATOM 641 OE1 GLN A 445 -15.367 15.850 14.062 1.00 0.00 O ATOM 642 NE2 GLN A 445 -15.510 17.949 14.847 1.00 0.00 N ATOM 0 H GLN A 445 -17.288 15.782 10.493 1.00 0.00 H new ATOM 0 HA GLN A 445 -19.374 17.227 11.898 1.00 0.00 H new ATOM 0 HB2 GLN A 445 -16.375 17.327 11.661 1.00 0.00 H new ATOM 0 HB3 GLN A 445 -17.213 18.758 12.226 1.00 0.00 H new ATOM 0 HG2 GLN A 445 -17.965 17.723 14.180 1.00 0.00 H new ATOM 0 HG3 GLN A 445 -17.855 16.111 13.501 1.00 0.00 H new ATOM 0 HE21 GLN A 445 -16.059 18.806 14.916 1.00 0.00 H new ATOM 0 HE22 GLN A 445 -14.594 17.892 15.293 1.00 0.00 H new ATOM 651 N VAL A 446 -19.570 19.384 10.609 1.00 0.00 N ATOM 652 CA VAL A 446 -19.886 20.497 9.722 1.00 0.00 C ATOM 653 C VAL A 446 -18.618 21.118 9.147 1.00 0.00 C ATOM 654 O VAL A 446 -17.633 21.314 9.858 1.00 0.00 O ATOM 655 CB VAL A 446 -20.692 21.586 10.454 1.00 0.00 C ATOM 656 CG1 VAL A 446 -20.975 22.756 9.525 1.00 0.00 C ATOM 657 CG2 VAL A 446 -21.985 21.009 11.009 1.00 0.00 C ATOM 0 H VAL A 446 -20.044 19.416 11.511 1.00 0.00 H new ATOM 0 HA VAL A 446 -20.490 20.093 8.909 1.00 0.00 H new ATOM 0 HB VAL A 446 -20.097 21.954 11.290 1.00 0.00 H new ATOM 0 HG11 VAL A 446 -21.545 23.515 10.060 1.00 0.00 H new ATOM 0 HG12 VAL A 446 -20.033 23.184 9.182 1.00 0.00 H new ATOM 0 HG13 VAL A 446 -21.550 22.408 8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 446 -22.542 21.792 11.523 1.00 0.00 H new ATOM 0 HG22 VAL A 446 -22.587 20.613 10.191 1.00 0.00 H new ATOM 0 HG23 VAL A 446 -21.754 20.208 11.711 1.00 0.00 H new ATOM 667 N TRP A 447 -18.651 21.426 7.855 1.00 0.00 N ATOM 668 CA TRP A 447 -17.504 22.026 7.184 1.00 0.00 C ATOM 669 C TRP A 447 -17.509 23.542 7.346 1.00 0.00 C ATOM 670 O TRP A 447 -16.491 24.143 7.691 1.00 0.00 O ATOM 671 CB TRP A 447 -17.507 21.660 5.698 1.00 0.00 C ATOM 672 CG TRP A 447 -16.561 22.486 4.881 1.00 0.00 C ATOM 673 CD1 TRP A 447 -16.869 23.244 3.787 1.00 0.00 C ATOM 674 CD2 TRP A 447 -15.153 22.635 5.091 1.00 0.00 C ATOM 675 NE1 TRP A 447 -15.737 23.855 3.305 1.00 0.00 N ATOM 676 CE2 TRP A 447 -14.671 23.498 4.087 1.00 0.00 C ATOM 677 CE3 TRP A 447 -14.252 22.125 6.029 1.00 0.00 C ATOM 678 CZ2 TRP A 447 -13.329 23.860 3.998 1.00 0.00 C ATOM 679 CZ3 TRP A 447 -12.921 22.484 5.939 1.00 0.00 C ATOM 680 CH2 TRP A 447 -12.470 23.345 4.930 1.00 0.00 C ATOM 0 H TRP A 447 -19.459 21.270 7.252 1.00 0.00 H new ATOM 0 HA TRP A 447 -16.599 21.633 7.646 1.00 0.00 H new ATOM 0 HB2 TRP A 447 -17.245 20.607 5.590 1.00 0.00 H new ATOM 0 HB3 TRP A 447 -18.516 21.780 5.304 1.00 0.00 H new ATOM 0 HD1 TRP A 447 -17.857 23.348 3.363 1.00 0.00 H new ATOM 0 HE1 TRP A 447 -15.697 24.474 2.496 1.00 0.00 H new ATOM 0 HE3 TRP A 447 -14.590 21.461 6.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 447 -12.979 24.524 3.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 447 -12.216 22.094 6.659 1.00 0.00 H new ATOM 0 HH2 TRP A 447 -11.423 23.607 4.887 1.00 0.00 H new ATOM 691 N VAL A 448 -18.662 24.155 7.097 1.00 0.00 N ATOM 692 CA VAL A 448 -18.800 25.602 7.217 1.00 0.00 C ATOM 693 C VAL A 448 -20.218 25.987 7.622 1.00 0.00 C ATOM 694 O VAL A 448 -21.181 25.302 7.276 1.00 0.00 O ATOM 695 CB VAL A 448 -18.443 26.311 5.898 1.00 0.00 C ATOM 696 CG1 VAL A 448 -19.376 25.866 4.783 1.00 0.00 C ATOM 697 CG2 VAL A 448 -18.493 27.821 6.075 1.00 0.00 C ATOM 0 H VAL A 448 -19.514 23.672 6.811 1.00 0.00 H new ATOM 0 HA VAL A 448 -18.105 25.923 7.992 1.00 0.00 H new ATOM 0 HB VAL A 448 -17.426 26.034 5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -19.108 26.378 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -19.285 24.789 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -20.404 26.112 5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -18.238 28.306 5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -19.497 28.119 6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -17.780 28.121 6.843 1.00 0.00 H new ATOM 707 N SER A 449 -20.340 27.088 8.355 1.00 0.00 N ATOM 708 CA SER A 449 -21.642 27.564 8.810 1.00 0.00 C ATOM 709 C SER A 449 -22.550 27.876 7.625 1.00 0.00 C ATOM 710 O SER A 449 -22.109 27.891 6.477 1.00 0.00 O ATOM 711 CB SER A 449 -21.477 28.809 9.683 1.00 0.00 C ATOM 712 OG SER A 449 -20.872 29.865 8.956 1.00 0.00 O ATOM 0 H SER A 449 -19.553 27.668 8.647 1.00 0.00 H new ATOM 0 HA SER A 449 -22.104 26.774 9.401 1.00 0.00 H new ATOM 0 HB2 SER A 449 -22.451 29.129 10.053 1.00 0.00 H new ATOM 0 HB3 SER A 449 -20.868 28.568 10.555 1.00 0.00 H new ATOM 0 HG SER A 449 -20.779 30.650 9.535 1.00 0.00 H new ATOM 718 N GLY A 450 -23.824 28.125 7.913 1.00 0.00 N ATOM 719 CA GLY A 450 -24.776 28.434 6.862 1.00 0.00 C ATOM 720 C GLY A 450 -24.627 29.850 6.343 1.00 0.00 C ATOM 721 O GLY A 450 -23.577 30.477 6.479 1.00 0.00 O ATOM 0 H GLY A 450 -24.214 28.118 8.856 1.00 0.00 H new ATOM 0 HA2 GLY A 450 -24.643 27.733 6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 450 -25.789 28.294 7.240 1.00 0.00 H new ATOM 725 N PRO A 451 -25.698 30.375 5.729 1.00 0.00 N ATOM 726 CA PRO A 451 -25.707 31.731 5.174 1.00 0.00 C ATOM 727 C PRO A 451 -25.681 32.802 6.259 1.00 0.00 C ATOM 728 O PRO A 451 -26.219 32.607 7.349 1.00 0.00 O ATOM 729 CB PRO A 451 -27.024 31.788 4.397 1.00 0.00 C ATOM 730 CG PRO A 451 -27.899 30.781 5.059 1.00 0.00 C ATOM 731 CD PRO A 451 -26.984 29.684 5.531 1.00 0.00 C ATOM 0 HA PRO A 451 -24.827 31.926 4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 451 -27.465 32.784 4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 451 -26.873 31.550 3.344 1.00 0.00 H new ATOM 0 HG2 PRO A 451 -28.441 31.224 5.895 1.00 0.00 H new ATOM 0 HG3 PRO A 451 -28.645 30.395 4.364 1.00 0.00 H new ATOM 0 HD2 PRO A 451 -27.343 29.231 6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 451 -26.902 28.885 4.795 1.00 0.00 H new ATOM 739 N SER A 452 -25.054 33.933 5.953 1.00 0.00 N ATOM 740 CA SER A 452 -24.956 35.034 6.904 1.00 0.00 C ATOM 741 C SER A 452 -24.698 36.354 6.183 1.00 0.00 C ATOM 742 O SER A 452 -24.278 36.370 5.026 1.00 0.00 O ATOM 743 CB SER A 452 -23.840 34.765 7.915 1.00 0.00 C ATOM 744 OG SER A 452 -22.608 34.517 7.260 1.00 0.00 O ATOM 0 H SER A 452 -24.606 34.111 5.054 1.00 0.00 H new ATOM 0 HA SER A 452 -25.906 35.109 7.434 1.00 0.00 H new ATOM 0 HB2 SER A 452 -23.735 35.621 8.582 1.00 0.00 H new ATOM 0 HB3 SER A 452 -24.105 33.908 8.535 1.00 0.00 H new ATOM 0 HG SER A 452 -21.910 34.350 7.928 1.00 0.00 H new ATOM 750 N SER A 453 -24.951 37.459 6.876 1.00 0.00 N ATOM 751 CA SER A 453 -24.750 38.785 6.302 1.00 0.00 C ATOM 752 C SER A 453 -23.270 39.156 6.299 1.00 0.00 C ATOM 753 O SER A 453 -22.667 39.357 7.352 1.00 0.00 O ATOM 754 CB SER A 453 -25.548 39.829 7.085 1.00 0.00 C ATOM 755 OG SER A 453 -26.934 39.531 7.067 1.00 0.00 O ATOM 0 H SER A 453 -25.296 37.463 7.836 1.00 0.00 H new ATOM 0 HA SER A 453 -25.104 38.766 5.271 1.00 0.00 H new ATOM 0 HB2 SER A 453 -25.194 39.864 8.115 1.00 0.00 H new ATOM 0 HB3 SER A 453 -25.380 40.817 6.656 1.00 0.00 H new ATOM 0 HG SER A 453 -27.422 40.212 7.576 1.00 0.00 H new ATOM 761 N GLY A 454 -22.692 39.246 5.105 1.00 0.00 N ATOM 762 CA GLY A 454 -21.288 39.593 4.985 1.00 0.00 C ATOM 763 C GLY A 454 -20.563 38.736 3.967 1.00 0.00 C ATOM 764 O GLY A 454 -21.136 37.795 3.418 1.00 0.00 O ATOM 0 H GLY A 454 -23.171 39.085 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -21.199 40.642 4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -20.806 39.484 5.956 1.00 0.00 H new TER 768 GLY A 454 HETATM 769 ZN ZN A 201 -2.342 5.266 -3.625 1.00 0.00 ZN