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 Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 403 SER OG : rot 15:sc= 0.163 USER MOD Single : A 405 SER OG : rot 39:sc= 0.172 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 K(o=0,f=-0.85) 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= -0.607 USER MOD Single : A 427 HIS : no HD1:sc= -1.9! C(o=-1.9!,f=-2.9!) USER MOD Single : A 429 ASN : amide:sc= -3.93! C(o=-3.9!,f=-7.1!) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 434 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.27) 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 :FLIP no HE2:sc= -0.0141 F(o=-1,f=-0.014) USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 CYS SG : rot 63:sc= 0.135 USER MOD Single : A 445 GLN :FLIP amide:sc= -0.752 F(o=-1.4!,f=-0.75) USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 452 SER OG : rot 25:sc= 0.185 USER MOD Single : A 453 SER OG : rot 180:sc= -0.106 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 401 28.982 19.420 2.812 1.00 0.00 N ATOM 2 CA GLY A 401 28.762 18.054 2.375 1.00 0.00 C ATOM 3 C GLY A 401 27.890 17.974 1.137 1.00 0.00 C ATOM 4 O GLY A 401 26.810 18.562 1.092 1.00 0.00 O ATOM 0 HA2 GLY A 401 29.723 17.582 2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 401 28.295 17.489 3.182 1.00 0.00 H new ATOM 8 N SER A 402 28.361 17.246 0.129 1.00 0.00 N ATOM 9 CA SER A 402 27.620 17.097 -1.117 1.00 0.00 C ATOM 10 C SER A 402 26.786 15.819 -1.103 1.00 0.00 C ATOM 11 O SER A 402 27.325 14.713 -1.071 1.00 0.00 O ATOM 12 CB SER A 402 28.580 17.079 -2.308 1.00 0.00 C ATOM 13 OG SER A 402 29.286 18.303 -2.412 1.00 0.00 O ATOM 0 H SER A 402 29.252 16.751 0.152 1.00 0.00 H new ATOM 0 HA SER A 402 26.947 17.949 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 402 29.286 16.256 -2.197 1.00 0.00 H new ATOM 0 HB3 SER A 402 28.022 16.898 -3.227 1.00 0.00 H new ATOM 0 HG SER A 402 29.894 18.266 -3.180 1.00 0.00 H new ATOM 19 N SER A 403 25.467 15.981 -1.127 1.00 0.00 N ATOM 20 CA SER A 403 24.557 14.841 -1.113 1.00 0.00 C ATOM 21 C SER A 403 23.781 14.750 -2.424 1.00 0.00 C ATOM 22 O SER A 403 23.197 15.730 -2.883 1.00 0.00 O ATOM 23 CB SER A 403 23.583 14.954 0.062 1.00 0.00 C ATOM 24 OG SER A 403 22.614 15.961 -0.173 1.00 0.00 O ATOM 0 H SER A 403 25.005 16.890 -1.156 1.00 0.00 H new ATOM 0 HA SER A 403 25.151 13.934 -0.998 1.00 0.00 H new ATOM 0 HB2 SER A 403 23.086 13.997 0.220 1.00 0.00 H new ATOM 0 HB3 SER A 403 24.134 15.181 0.975 1.00 0.00 H new ATOM 0 HG SER A 403 22.627 16.213 -1.120 1.00 0.00 H new ATOM 30 N GLY A 404 23.781 13.562 -3.022 1.00 0.00 N ATOM 31 CA GLY A 404 23.075 13.363 -4.274 1.00 0.00 C ATOM 32 C GLY A 404 21.667 12.840 -4.069 1.00 0.00 C ATOM 33 O GLY A 404 20.899 13.397 -3.285 1.00 0.00 O ATOM 0 H GLY A 404 24.257 12.735 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 404 23.033 14.307 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 404 23.633 12.662 -4.895 1.00 0.00 H new ATOM 37 N SER A 405 21.327 11.767 -4.777 1.00 0.00 N ATOM 38 CA SER A 405 19.999 11.173 -4.672 1.00 0.00 C ATOM 39 C SER A 405 19.993 9.755 -5.236 1.00 0.00 C ATOM 40 O SER A 405 20.330 9.536 -6.399 1.00 0.00 O ATOM 41 CB SER A 405 18.973 12.032 -5.413 1.00 0.00 C ATOM 42 OG SER A 405 19.377 12.270 -6.750 1.00 0.00 O ATOM 0 H SER A 405 21.952 11.292 -5.428 1.00 0.00 H new ATOM 0 HA SER A 405 19.730 11.128 -3.617 1.00 0.00 H new ATOM 0 HB2 SER A 405 18.004 11.533 -5.406 1.00 0.00 H new ATOM 0 HB3 SER A 405 18.846 12.982 -4.894 1.00 0.00 H new ATOM 0 HG SER A 405 19.783 11.458 -7.118 1.00 0.00 H new ATOM 48 N SER A 406 19.609 8.795 -4.401 1.00 0.00 N ATOM 49 CA SER A 406 19.562 7.397 -4.813 1.00 0.00 C ATOM 50 C SER A 406 18.215 7.061 -5.445 1.00 0.00 C ATOM 51 O SER A 406 17.204 6.946 -4.753 1.00 0.00 O ATOM 52 CB SER A 406 19.819 6.481 -3.615 1.00 0.00 C ATOM 53 OG SER A 406 20.307 5.218 -4.033 1.00 0.00 O ATOM 0 H SER A 406 19.326 8.960 -3.435 1.00 0.00 H new ATOM 0 HA SER A 406 20.342 7.237 -5.557 1.00 0.00 H new ATOM 0 HB2 SER A 406 20.540 6.949 -2.944 1.00 0.00 H new ATOM 0 HB3 SER A 406 18.896 6.349 -3.050 1.00 0.00 H new ATOM 0 HG SER A 406 20.465 4.652 -3.248 1.00 0.00 H new ATOM 59 N GLY A 407 18.210 6.905 -6.765 1.00 0.00 N ATOM 60 CA GLY A 407 16.982 6.584 -7.469 1.00 0.00 C ATOM 61 C GLY A 407 17.016 5.204 -8.096 1.00 0.00 C ATOM 62 O GLY A 407 17.044 5.070 -9.319 1.00 0.00 O ATOM 0 H GLY A 407 19.034 6.995 -7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 407 16.143 6.644 -6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 407 16.807 7.328 -8.246 1.00 0.00 H new ATOM 66 N SER A 408 17.016 4.174 -7.255 1.00 0.00 N ATOM 67 CA SER A 408 17.053 2.797 -7.733 1.00 0.00 C ATOM 68 C SER A 408 15.723 2.407 -8.371 1.00 0.00 C ATOM 69 O SER A 408 14.668 2.509 -7.745 1.00 0.00 O ATOM 70 CB SER A 408 17.378 1.844 -6.582 1.00 0.00 C ATOM 71 OG SER A 408 17.403 0.498 -7.026 1.00 0.00 O ATOM 0 H SER A 408 16.991 4.267 -6.240 1.00 0.00 H new ATOM 0 HA SER A 408 17.834 2.722 -8.489 1.00 0.00 H new ATOM 0 HB2 SER A 408 18.344 2.106 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 408 16.635 1.956 -5.792 1.00 0.00 H new ATOM 0 HG SER A 408 17.615 -0.091 -6.272 1.00 0.00 H new ATOM 77 N VAL A 409 15.782 1.961 -9.621 1.00 0.00 N ATOM 78 CA VAL A 409 14.583 1.554 -10.345 1.00 0.00 C ATOM 79 C VAL A 409 14.029 0.243 -9.799 1.00 0.00 C ATOM 80 O VAL A 409 14.658 -0.808 -9.922 1.00 0.00 O ATOM 81 CB VAL A 409 14.864 1.393 -11.851 1.00 0.00 C ATOM 82 CG1 VAL A 409 13.613 0.929 -12.581 1.00 0.00 C ATOM 83 CG2 VAL A 409 15.382 2.697 -12.439 1.00 0.00 C ATOM 0 H VAL A 409 16.647 1.872 -10.154 1.00 0.00 H new ATOM 0 HA VAL A 409 13.845 2.343 -10.203 1.00 0.00 H new ATOM 0 HB VAL A 409 15.634 0.632 -11.980 1.00 0.00 H new ATOM 0 HG11 VAL A 409 13.831 0.821 -13.644 1.00 0.00 H new ATOM 0 HG12 VAL A 409 13.291 -0.031 -12.177 1.00 0.00 H new ATOM 0 HG13 VAL A 409 12.819 1.664 -12.446 1.00 0.00 H new ATOM 0 HG21 VAL A 409 15.575 2.565 -13.504 1.00 0.00 H new ATOM 0 HG22 VAL A 409 14.637 3.480 -12.300 1.00 0.00 H new ATOM 0 HG23 VAL A 409 16.306 2.982 -11.935 1.00 0.00 H new ATOM 93 N GLY A 410 12.847 0.312 -9.195 1.00 0.00 N ATOM 94 CA GLY A 410 12.228 -0.877 -8.639 1.00 0.00 C ATOM 95 C GLY A 410 10.769 -1.009 -9.031 1.00 0.00 C ATOM 96 O GLY A 410 10.390 -1.942 -9.739 1.00 0.00 O ATOM 0 H GLY A 410 12.307 1.170 -9.081 1.00 0.00 H new ATOM 0 HA2 GLY A 410 12.773 -1.758 -8.977 1.00 0.00 H new ATOM 0 HA3 GLY A 410 12.308 -0.850 -7.552 1.00 0.00 H new ATOM 100 N LYS A 411 9.947 -0.072 -8.570 1.00 0.00 N ATOM 101 CA LYS A 411 8.522 -0.087 -8.876 1.00 0.00 C ATOM 102 C LYS A 411 8.134 1.124 -9.719 1.00 0.00 C ATOM 103 O LYS A 411 7.934 2.227 -9.210 1.00 0.00 O ATOM 104 CB LYS A 411 7.702 -0.105 -7.584 1.00 0.00 C ATOM 105 CG LYS A 411 7.665 -1.464 -6.906 1.00 0.00 C ATOM 106 CD LYS A 411 8.836 -1.645 -5.955 1.00 0.00 C ATOM 107 CE LYS A 411 8.645 -2.860 -5.061 1.00 0.00 C ATOM 108 NZ LYS A 411 9.834 -3.105 -4.197 1.00 0.00 N ATOM 0 H LYS A 411 10.244 0.707 -7.983 1.00 0.00 H new ATOM 0 HA LYS A 411 8.308 -0.990 -9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 411 8.116 0.627 -6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 411 6.682 0.209 -7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 411 6.729 -1.572 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 411 7.684 -2.249 -7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 411 9.757 -1.754 -6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 411 8.947 -0.753 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 411 7.765 -2.715 -4.435 1.00 0.00 H new ATOM 0 HE3 LYS A 411 8.457 -3.739 -5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 9.665 -3.941 -3.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 10.670 -3.268 -4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 9.999 -2.277 -3.590 1.00 0.00 H new ATOM 122 N PRO A 412 8.023 0.915 -11.040 1.00 0.00 N ATOM 123 CA PRO A 412 7.657 1.978 -11.981 1.00 0.00 C ATOM 124 C PRO A 412 6.202 2.411 -11.828 1.00 0.00 C ATOM 125 O PRO A 412 5.905 3.603 -11.749 1.00 0.00 O ATOM 126 CB PRO A 412 7.881 1.332 -13.350 1.00 0.00 C ATOM 127 CG PRO A 412 7.734 -0.131 -13.108 1.00 0.00 C ATOM 128 CD PRO A 412 8.247 -0.374 -11.715 1.00 0.00 C ATOM 0 HA PRO A 412 8.242 2.884 -11.821 1.00 0.00 H new ATOM 0 HB2 PRO A 412 7.153 1.688 -14.079 1.00 0.00 H new ATOM 0 HB3 PRO A 412 8.869 1.571 -13.743 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.692 -0.439 -13.200 1.00 0.00 H new ATOM 0 HG3 PRO A 412 8.302 -0.706 -13.839 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.708 -1.184 -11.224 1.00 0.00 H new ATOM 0 HD3 PRO A 412 9.302 -0.649 -11.717 1.00 0.00 H new ATOM 136 N TYR A 413 5.301 1.436 -11.787 1.00 0.00 N ATOM 137 CA TYR A 413 3.877 1.717 -11.646 1.00 0.00 C ATOM 138 C TYR A 413 3.601 2.500 -10.366 1.00 0.00 C ATOM 139 O TYR A 413 3.409 1.918 -9.298 1.00 0.00 O ATOM 140 CB TYR A 413 3.077 0.414 -11.643 1.00 0.00 C ATOM 141 CG TYR A 413 3.116 -0.324 -12.961 1.00 0.00 C ATOM 142 CD1 TYR A 413 3.933 0.109 -13.999 1.00 0.00 C ATOM 143 CD2 TYR A 413 2.338 -1.456 -13.170 1.00 0.00 C ATOM 144 CE1 TYR A 413 3.971 -0.562 -15.205 1.00 0.00 C ATOM 145 CE2 TYR A 413 2.371 -2.135 -14.373 1.00 0.00 C ATOM 146 CZ TYR A 413 3.189 -1.684 -15.388 1.00 0.00 C ATOM 147 OH TYR A 413 3.226 -2.356 -16.588 1.00 0.00 O ATOM 0 H TYR A 413 5.531 0.444 -11.849 1.00 0.00 H new ATOM 0 HA TYR A 413 3.566 2.324 -12.496 1.00 0.00 H new ATOM 0 HB2 TYR A 413 3.464 -0.238 -10.860 1.00 0.00 H new ATOM 0 HB3 TYR A 413 2.040 0.635 -11.391 1.00 0.00 H new ATOM 0 HD1 TYR A 413 4.549 0.985 -13.860 1.00 0.00 H new ATOM 0 HD2 TYR A 413 1.696 -1.812 -12.378 1.00 0.00 H new ATOM 0 HE1 TYR A 413 4.610 -0.210 -16.002 1.00 0.00 H new ATOM 0 HE2 TYR A 413 1.760 -3.014 -14.518 1.00 0.00 H new ATOM 0 HH TYR A 413 2.618 -3.124 -16.552 1.00 0.00 H new ATOM 157 N ILE A 414 3.582 3.824 -10.483 1.00 0.00 N ATOM 158 CA ILE A 414 3.327 4.688 -9.337 1.00 0.00 C ATOM 159 C ILE A 414 1.857 5.085 -9.264 1.00 0.00 C ATOM 160 O ILE A 414 1.258 5.477 -10.265 1.00 0.00 O ATOM 161 CB ILE A 414 4.190 5.962 -9.390 1.00 0.00 C ATOM 162 CG1 ILE A 414 5.674 5.605 -9.282 1.00 0.00 C ATOM 163 CG2 ILE A 414 3.788 6.920 -8.278 1.00 0.00 C ATOM 164 CD1 ILE A 414 5.978 4.609 -8.184 1.00 0.00 C ATOM 0 H ILE A 414 3.740 4.321 -11.359 1.00 0.00 H new ATOM 0 HA ILE A 414 3.591 4.117 -8.447 1.00 0.00 H new ATOM 0 HB ILE A 414 4.024 6.456 -10.347 1.00 0.00 H new ATOM 0 HG12 ILE A 414 6.012 5.197 -10.235 1.00 0.00 H new ATOM 0 HG13 ILE A 414 6.246 6.515 -9.104 1.00 0.00 H new ATOM 0 HG21 ILE A 414 4.407 7.816 -8.328 1.00 0.00 H new ATOM 0 HG22 ILE A 414 2.740 7.196 -8.396 1.00 0.00 H new ATOM 0 HG23 ILE A 414 3.929 6.436 -7.312 1.00 0.00 H new ATOM 0 HD11 ILE A 414 7.048 4.403 -8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 414 5.672 5.022 -7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.433 3.684 -8.371 1.00 0.00 H new ATOM 176 N CYS A 415 1.281 4.984 -8.070 1.00 0.00 N ATOM 177 CA CYS A 415 -0.119 5.334 -7.864 1.00 0.00 C ATOM 178 C CYS A 415 -0.369 6.800 -8.206 1.00 0.00 C ATOM 179 O CYS A 415 0.280 7.693 -7.664 1.00 0.00 O ATOM 180 CB CYS A 415 -0.527 5.060 -6.416 1.00 0.00 C ATOM 181 SG CYS A 415 -2.328 5.034 -6.143 1.00 0.00 S ATOM 0 H CYS A 415 1.763 4.662 -7.231 1.00 0.00 H new ATOM 0 HA CYS A 415 -0.724 4.716 -8.528 1.00 0.00 H new ATOM 0 HB2 CYS A 415 -0.110 4.102 -6.107 1.00 0.00 H new ATOM 0 HB3 CYS A 415 -0.084 5.822 -5.775 1.00 0.00 H new ATOM 186 N GLN A 416 -1.315 7.038 -9.109 1.00 0.00 N ATOM 187 CA GLN A 416 -1.651 8.395 -9.523 1.00 0.00 C ATOM 188 C GLN A 416 -2.654 9.025 -8.563 1.00 0.00 C ATOM 189 O GLN A 416 -3.290 10.028 -8.884 1.00 0.00 O ATOM 190 CB GLN A 416 -2.220 8.392 -10.943 1.00 0.00 C ATOM 191 CG GLN A 416 -1.345 7.658 -11.947 1.00 0.00 C ATOM 192 CD GLN A 416 -0.061 8.403 -12.256 1.00 0.00 C ATOM 193 OE1 GLN A 416 -0.031 9.633 -12.266 1.00 0.00 O ATOM 194 NE2 GLN A 416 1.009 7.658 -12.510 1.00 0.00 N ATOM 0 H GLN A 416 -1.862 6.309 -9.567 1.00 0.00 H new ATOM 0 HA GLN A 416 -0.737 8.989 -9.506 1.00 0.00 H new ATOM 0 HB2 GLN A 416 -3.208 7.931 -10.929 1.00 0.00 H new ATOM 0 HB3 GLN A 416 -2.354 9.422 -11.274 1.00 0.00 H new ATOM 0 HG2 GLN A 416 -1.102 6.669 -11.557 1.00 0.00 H new ATOM 0 HG3 GLN A 416 -1.905 7.508 -12.870 1.00 0.00 H new ATOM 0 HE21 GLN A 416 0.938 6.641 -12.491 1.00 0.00 H new ATOM 0 HE22 GLN A 416 1.901 8.103 -12.724 1.00 0.00 H new ATOM 203 N SER A 417 -2.789 8.430 -7.382 1.00 0.00 N ATOM 204 CA SER A 417 -3.718 8.931 -6.375 1.00 0.00 C ATOM 205 C SER A 417 -2.966 9.479 -5.167 1.00 0.00 C ATOM 206 O SER A 417 -3.283 10.555 -4.658 1.00 0.00 O ATOM 207 CB SER A 417 -4.673 7.820 -5.935 1.00 0.00 C ATOM 208 OG SER A 417 -5.824 7.779 -6.761 1.00 0.00 O ATOM 0 H SER A 417 -2.267 7.601 -7.099 1.00 0.00 H new ATOM 0 HA SER A 417 -4.295 9.742 -6.820 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.160 6.859 -5.973 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.971 7.981 -4.899 1.00 0.00 H new ATOM 0 HG SER A 417 -6.417 7.059 -6.460 1.00 0.00 H new ATOM 214 N CYS A 418 -1.966 8.731 -4.711 1.00 0.00 N ATOM 215 CA CYS A 418 -1.167 9.140 -3.562 1.00 0.00 C ATOM 216 C CYS A 418 0.304 9.280 -3.945 1.00 0.00 C ATOM 217 O CYS A 418 0.948 10.277 -3.621 1.00 0.00 O ATOM 218 CB CYS A 418 -1.315 8.127 -2.425 1.00 0.00 C ATOM 219 SG CYS A 418 -0.976 6.405 -2.915 1.00 0.00 S ATOM 0 H CYS A 418 -1.690 7.838 -5.120 1.00 0.00 H new ATOM 0 HA CYS A 418 -1.531 10.111 -3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -0.639 8.403 -1.616 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -2.328 8.188 -2.028 1.00 0.00 H new ATOM 224 N GLY A 419 0.828 8.274 -4.637 1.00 0.00 N ATOM 225 CA GLY A 419 2.218 8.304 -5.052 1.00 0.00 C ATOM 226 C GLY A 419 2.916 6.975 -4.840 1.00 0.00 C ATOM 227 O GLY A 419 4.078 6.809 -5.211 1.00 0.00 O ATOM 0 H GLY A 419 0.315 7.438 -4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 419 2.273 8.576 -6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 419 2.743 9.080 -4.495 1.00 0.00 H new ATOM 231 N LYS A 420 2.206 6.025 -4.241 1.00 0.00 N ATOM 232 CA LYS A 420 2.763 4.703 -3.979 1.00 0.00 C ATOM 233 C LYS A 420 3.393 4.119 -5.240 1.00 0.00 C ATOM 234 O LYS A 420 3.312 4.708 -6.317 1.00 0.00 O ATOM 235 CB LYS A 420 1.675 3.763 -3.457 1.00 0.00 C ATOM 236 CG LYS A 420 1.531 3.779 -1.945 1.00 0.00 C ATOM 237 CD LYS A 420 0.916 2.489 -1.430 1.00 0.00 C ATOM 238 CE LYS A 420 0.591 2.579 0.053 1.00 0.00 C ATOM 239 NZ LYS A 420 0.458 1.233 0.676 1.00 0.00 N ATOM 0 H LYS A 420 1.243 6.146 -3.928 1.00 0.00 H new ATOM 0 HA LYS A 420 3.539 4.806 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 420 0.722 4.039 -3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 420 1.898 2.747 -3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 420 2.509 3.925 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 420 0.910 4.624 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 420 0.007 2.269 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 420 1.605 1.662 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 420 1.375 3.139 0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -0.337 3.135 0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 0.236 1.339 1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -0.307 0.707 0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 1.352 0.712 0.570 1.00 0.00 H new ATOM 253 N GLY A 421 4.021 2.955 -5.098 1.00 0.00 N ATOM 254 CA GLY A 421 4.654 2.310 -6.233 1.00 0.00 C ATOM 255 C GLY A 421 4.519 0.801 -6.193 1.00 0.00 C ATOM 256 O GLY A 421 4.603 0.192 -5.126 1.00 0.00 O ATOM 0 H GLY A 421 4.102 2.448 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 421 4.211 2.687 -7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 421 5.711 2.577 -6.255 1.00 0.00 H new ATOM 260 N PHE A 422 4.306 0.196 -7.357 1.00 0.00 N ATOM 261 CA PHE A 422 4.156 -1.251 -7.450 1.00 0.00 C ATOM 262 C PHE A 422 4.951 -1.806 -8.628 1.00 0.00 C ATOM 263 O PHE A 422 5.426 -1.054 -9.479 1.00 0.00 O ATOM 264 CB PHE A 422 2.679 -1.623 -7.596 1.00 0.00 C ATOM 265 CG PHE A 422 1.839 -1.218 -6.419 1.00 0.00 C ATOM 266 CD1 PHE A 422 1.598 0.120 -6.150 1.00 0.00 C ATOM 267 CD2 PHE A 422 1.289 -2.175 -5.581 1.00 0.00 C ATOM 268 CE1 PHE A 422 0.826 0.495 -5.067 1.00 0.00 C ATOM 269 CE2 PHE A 422 0.516 -1.806 -4.496 1.00 0.00 C ATOM 270 CZ PHE A 422 0.284 -0.469 -4.240 1.00 0.00 C ATOM 0 H PHE A 422 4.233 0.686 -8.249 1.00 0.00 H new ATOM 0 HA PHE A 422 4.546 -1.691 -6.532 1.00 0.00 H new ATOM 0 HB2 PHE A 422 2.281 -1.152 -8.495 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.596 -2.701 -7.737 1.00 0.00 H new ATOM 0 HD1 PHE A 422 2.018 0.878 -6.794 1.00 0.00 H new ATOM 0 HD2 PHE A 422 1.466 -3.222 -5.778 1.00 0.00 H new ATOM 0 HE1 PHE A 422 0.647 1.541 -4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 422 0.094 -2.562 -3.850 1.00 0.00 H new ATOM 0 HZ PHE A 422 -0.321 -0.178 -3.394 1.00 0.00 H new ATOM 280 N SER A 423 5.092 -3.127 -8.669 1.00 0.00 N ATOM 281 CA SER A 423 5.833 -3.783 -9.740 1.00 0.00 C ATOM 282 C SER A 423 4.885 -4.319 -10.808 1.00 0.00 C ATOM 283 O SER A 423 5.233 -4.383 -11.987 1.00 0.00 O ATOM 284 CB SER A 423 6.682 -4.925 -9.176 1.00 0.00 C ATOM 285 OG SER A 423 7.774 -4.425 -8.424 1.00 0.00 O ATOM 0 H SER A 423 4.703 -3.764 -7.973 1.00 0.00 H new ATOM 0 HA SER A 423 6.489 -3.044 -10.200 1.00 0.00 H new ATOM 0 HB2 SER A 423 6.064 -5.564 -8.545 1.00 0.00 H new ATOM 0 HB3 SER A 423 7.052 -5.545 -9.993 1.00 0.00 H new ATOM 0 HG SER A 423 8.300 -5.174 -8.073 1.00 0.00 H new ATOM 291 N ARG A 424 3.685 -4.704 -10.385 1.00 0.00 N ATOM 292 CA ARG A 424 2.686 -5.236 -11.304 1.00 0.00 C ATOM 293 C ARG A 424 1.496 -4.287 -11.422 1.00 0.00 C ATOM 294 O ARG A 424 1.211 -3.494 -10.524 1.00 0.00 O ATOM 295 CB ARG A 424 2.210 -6.612 -10.834 1.00 0.00 C ATOM 296 CG ARG A 424 3.265 -7.698 -10.967 1.00 0.00 C ATOM 297 CD ARG A 424 2.633 -9.079 -11.057 1.00 0.00 C ATOM 298 NE ARG A 424 3.547 -10.129 -10.615 1.00 0.00 N ATOM 299 CZ ARG A 424 3.145 -11.308 -10.155 1.00 0.00 C ATOM 300 NH1 ARG A 424 1.851 -11.586 -10.077 1.00 0.00 N ATOM 301 NH2 ARG A 424 4.038 -12.212 -9.772 1.00 0.00 N ATOM 0 H ARG A 424 3.381 -4.657 -9.412 1.00 0.00 H new ATOM 0 HA ARG A 424 3.149 -5.335 -12.286 1.00 0.00 H new ATOM 0 HB2 ARG A 424 1.900 -6.544 -9.791 1.00 0.00 H new ATOM 0 HB3 ARG A 424 1.330 -6.899 -11.410 1.00 0.00 H new ATOM 0 HG2 ARG A 424 3.869 -7.514 -11.856 1.00 0.00 H new ATOM 0 HG3 ARG A 424 3.939 -7.660 -10.111 1.00 0.00 H new ATOM 0 HD2 ARG A 424 1.730 -9.105 -10.448 1.00 0.00 H new ATOM 0 HD3 ARG A 424 2.329 -9.272 -12.086 1.00 0.00 H new ATOM 0 HE ARG A 424 4.549 -9.947 -10.662 1.00 0.00 H new ATOM 0 HH11 ARG A 424 1.162 -10.894 -10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 424 1.544 -12.492 -9.723 1.00 0.00 H new ATOM 0 HH21 ARG A 424 5.034 -12.001 -9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 424 3.728 -13.117 -9.419 1.00 0.00 H new ATOM 315 N PRO A 425 0.783 -4.369 -12.555 1.00 0.00 N ATOM 316 CA PRO A 425 -0.387 -3.526 -12.817 1.00 0.00 C ATOM 317 C PRO A 425 -1.573 -3.889 -11.930 1.00 0.00 C ATOM 318 O PRO A 425 -2.229 -3.013 -11.365 1.00 0.00 O ATOM 319 CB PRO A 425 -0.710 -3.814 -14.286 1.00 0.00 C ATOM 320 CG PRO A 425 -0.158 -5.175 -14.535 1.00 0.00 C ATOM 321 CD PRO A 425 1.065 -5.292 -13.668 1.00 0.00 C ATOM 0 HA PRO A 425 -0.187 -2.475 -12.608 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -1.784 -3.783 -14.469 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -0.253 -3.075 -14.944 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -0.889 -5.944 -14.285 1.00 0.00 H new ATOM 0 HG3 PRO A 425 0.096 -5.307 -15.587 1.00 0.00 H new ATOM 0 HD2 PRO A 425 1.212 -6.313 -13.316 1.00 0.00 H new ATOM 0 HD3 PRO A 425 1.969 -5.007 -14.207 1.00 0.00 H new ATOM 329 N ASP A 426 -1.843 -5.184 -11.811 1.00 0.00 N ATOM 330 CA ASP A 426 -2.949 -5.663 -10.991 1.00 0.00 C ATOM 331 C ASP A 426 -2.710 -5.346 -9.518 1.00 0.00 C ATOM 332 O ASP A 426 -3.644 -5.028 -8.781 1.00 0.00 O ATOM 333 CB ASP A 426 -3.137 -7.169 -11.178 1.00 0.00 C ATOM 334 CG ASP A 426 -4.123 -7.757 -10.188 1.00 0.00 C ATOM 335 OD1 ASP A 426 -3.721 -8.017 -9.034 1.00 0.00 O ATOM 336 OD2 ASP A 426 -5.296 -7.959 -10.566 1.00 0.00 O ATOM 0 H ASP A 426 -1.310 -5.921 -12.273 1.00 0.00 H new ATOM 0 HA ASP A 426 -3.855 -5.150 -11.312 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.484 -7.366 -12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -2.175 -7.669 -11.068 1.00 0.00 H new ATOM 341 N HIS A 427 -1.453 -5.437 -9.095 1.00 0.00 N ATOM 342 CA HIS A 427 -1.091 -5.161 -7.709 1.00 0.00 C ATOM 343 C HIS A 427 -1.468 -3.734 -7.323 1.00 0.00 C ATOM 344 O HIS A 427 -2.130 -3.507 -6.309 1.00 0.00 O ATOM 345 CB HIS A 427 0.407 -5.380 -7.498 1.00 0.00 C ATOM 346 CG HIS A 427 0.798 -6.825 -7.437 1.00 0.00 C ATOM 347 ND1 HIS A 427 2.094 -7.261 -7.611 1.00 0.00 N ATOM 348 CD2 HIS A 427 0.055 -7.935 -7.218 1.00 0.00 C ATOM 349 CE1 HIS A 427 2.132 -8.577 -7.504 1.00 0.00 C ATOM 350 NE2 HIS A 427 0.907 -9.011 -7.265 1.00 0.00 N ATOM 0 H HIS A 427 -0.668 -5.700 -9.692 1.00 0.00 H new ATOM 0 HA HIS A 427 -1.645 -5.850 -7.071 1.00 0.00 H new ATOM 0 HB2 HIS A 427 0.954 -4.898 -8.308 1.00 0.00 H new ATOM 0 HB3 HIS A 427 0.711 -4.890 -6.573 1.00 0.00 H new ATOM 0 HD2 HIS A 427 -1.010 -7.968 -7.040 1.00 0.00 H new ATOM 0 HE1 HIS A 427 3.014 -9.193 -7.596 1.00 0.00 H new ATOM 0 HE2 HIS A 427 0.638 -9.986 -7.136 1.00 0.00 H new ATOM 358 N LEU A 428 -1.042 -2.774 -8.137 1.00 0.00 N ATOM 359 CA LEU A 428 -1.334 -1.368 -7.881 1.00 0.00 C ATOM 360 C LEU A 428 -2.836 -1.107 -7.924 1.00 0.00 C ATOM 361 O LEU A 428 -3.384 -0.434 -7.052 1.00 0.00 O ATOM 362 CB LEU A 428 -0.622 -0.484 -8.906 1.00 0.00 C ATOM 363 CG LEU A 428 -1.158 0.941 -9.052 1.00 0.00 C ATOM 364 CD1 LEU A 428 -1.039 1.693 -7.735 1.00 0.00 C ATOM 365 CD2 LEU A 428 -0.419 1.679 -10.158 1.00 0.00 C ATOM 0 H LEU A 428 -0.493 -2.944 -8.980 1.00 0.00 H new ATOM 0 HA LEU A 428 -0.970 -1.123 -6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 428 0.433 -0.428 -8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 428 -0.678 -0.973 -9.879 1.00 0.00 H new ATOM 0 HG LEU A 428 -2.213 0.886 -9.322 1.00 0.00 H new ATOM 0 HD11 LEU A 428 -1.425 2.705 -7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 428 -1.614 1.176 -6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 428 0.008 1.738 -7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 428 -0.814 2.691 -10.247 1.00 0.00 H new ATOM 0 HD22 LEU A 428 0.643 1.724 -9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 428 -0.556 1.152 -11.102 1.00 0.00 H new ATOM 377 N ASN A 429 -3.497 -1.647 -8.943 1.00 0.00 N ATOM 378 CA ASN A 429 -4.937 -1.474 -9.098 1.00 0.00 C ATOM 379 C ASN A 429 -5.664 -1.772 -7.791 1.00 0.00 C ATOM 380 O ASN A 429 -6.437 -0.952 -7.297 1.00 0.00 O ATOM 381 CB ASN A 429 -5.464 -2.385 -10.208 1.00 0.00 C ATOM 382 CG ASN A 429 -4.747 -2.166 -11.526 1.00 0.00 C ATOM 383 OD1 ASN A 429 -4.456 -3.116 -12.253 1.00 0.00 O ATOM 384 ND2 ASN A 429 -4.458 -0.908 -11.840 1.00 0.00 N ATOM 0 H ASN A 429 -3.059 -2.208 -9.673 1.00 0.00 H new ATOM 0 HA ASN A 429 -5.127 -0.435 -9.369 1.00 0.00 H new ATOM 0 HB2 ASN A 429 -5.350 -3.426 -9.904 1.00 0.00 H new ATOM 0 HB3 ASN A 429 -6.531 -2.207 -10.344 1.00 0.00 H new ATOM 0 HD21 ASN A 429 -3.976 -0.698 -12.714 1.00 0.00 H new ATOM 0 HD22 ASN A 429 -4.718 -0.152 -11.207 1.00 0.00 H new ATOM 391 N GLY A 430 -5.412 -2.953 -7.235 1.00 0.00 N ATOM 392 CA GLY A 430 -6.050 -3.339 -5.990 1.00 0.00 C ATOM 393 C GLY A 430 -5.949 -2.262 -4.929 1.00 0.00 C ATOM 394 O GLY A 430 -6.914 -1.993 -4.213 1.00 0.00 O ATOM 0 H GLY A 430 -4.777 -3.650 -7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -7.100 -3.563 -6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -5.590 -4.255 -5.619 1.00 0.00 H new ATOM 398 N HIS A 431 -4.777 -1.643 -4.825 1.00 0.00 N ATOM 399 CA HIS A 431 -4.553 -0.589 -3.841 1.00 0.00 C ATOM 400 C HIS A 431 -5.443 0.617 -4.126 1.00 0.00 C ATOM 401 O HIS A 431 -5.979 1.235 -3.206 1.00 0.00 O ATOM 402 CB HIS A 431 -3.084 -0.166 -3.842 1.00 0.00 C ATOM 403 CG HIS A 431 -2.866 1.242 -3.378 1.00 0.00 C ATOM 404 ND1 HIS A 431 -2.861 1.603 -2.048 1.00 0.00 N ATOM 405 CD2 HIS A 431 -2.643 2.380 -4.077 1.00 0.00 C ATOM 406 CE1 HIS A 431 -2.646 2.903 -1.947 1.00 0.00 C ATOM 407 NE2 HIS A 431 -2.510 3.398 -3.165 1.00 0.00 N ATOM 0 H HIS A 431 -3.968 -1.853 -5.410 1.00 0.00 H new ATOM 0 HA HIS A 431 -4.809 -0.983 -2.857 1.00 0.00 H new ATOM 0 HB2 HIS A 431 -2.519 -0.843 -3.201 1.00 0.00 H new ATOM 0 HB3 HIS A 431 -2.684 -0.274 -4.850 1.00 0.00 H new ATOM 0 HD1 HIS A 431 -3.001 0.966 -1.264 1.00 0.00 H new ATOM 0 HD2 HIS A 431 -2.581 2.470 -5.151 1.00 0.00 H new ATOM 0 HE1 HIS A 431 -2.591 3.465 -1.026 1.00 0.00 H new ATOM 415 N ILE A 432 -5.594 0.946 -5.405 1.00 0.00 N ATOM 416 CA ILE A 432 -6.418 2.078 -5.809 1.00 0.00 C ATOM 417 C ILE A 432 -7.902 1.744 -5.701 1.00 0.00 C ATOM 418 O ILE A 432 -8.750 2.636 -5.659 1.00 0.00 O ATOM 419 CB ILE A 432 -6.106 2.515 -7.253 1.00 0.00 C ATOM 420 CG1 ILE A 432 -4.593 2.564 -7.478 1.00 0.00 C ATOM 421 CG2 ILE A 432 -6.734 3.869 -7.544 1.00 0.00 C ATOM 422 CD1 ILE A 432 -4.204 2.831 -8.915 1.00 0.00 C ATOM 0 H ILE A 432 -5.157 0.445 -6.178 1.00 0.00 H new ATOM 0 HA ILE A 432 -6.182 2.898 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 432 -6.533 1.783 -7.939 1.00 0.00 H new ATOM 0 HG12 ILE A 432 -4.165 3.340 -6.844 1.00 0.00 H new ATOM 0 HG13 ILE A 432 -4.156 1.617 -7.162 1.00 0.00 H new ATOM 0 HG21 ILE A 432 -6.505 4.164 -8.568 1.00 0.00 H new ATOM 0 HG22 ILE A 432 -7.815 3.803 -7.419 1.00 0.00 H new ATOM 0 HG23 ILE A 432 -6.333 4.612 -6.854 1.00 0.00 H new ATOM 0 HD11 ILE A 432 -3.118 2.852 -9.000 1.00 0.00 H new ATOM 0 HD12 ILE A 432 -4.603 2.042 -9.552 1.00 0.00 H new ATOM 0 HD13 ILE A 432 -4.611 3.792 -9.230 1.00 0.00 H new ATOM 434 N LYS A 433 -8.210 0.452 -5.655 1.00 0.00 N ATOM 435 CA LYS A 433 -9.591 -0.002 -5.548 1.00 0.00 C ATOM 436 C LYS A 433 -9.871 -0.571 -4.161 1.00 0.00 C ATOM 437 O LYS A 433 -10.990 -0.991 -3.867 1.00 0.00 O ATOM 438 CB LYS A 433 -9.885 -1.061 -6.613 1.00 0.00 C ATOM 439 CG LYS A 433 -11.170 -1.833 -6.366 1.00 0.00 C ATOM 440 CD LYS A 433 -11.664 -2.513 -7.632 1.00 0.00 C ATOM 441 CE LYS A 433 -13.118 -2.941 -7.502 1.00 0.00 C ATOM 442 NZ LYS A 433 -13.775 -3.083 -8.831 1.00 0.00 N ATOM 0 H LYS A 433 -7.521 -0.299 -5.690 1.00 0.00 H new ATOM 0 HA LYS A 433 -10.243 0.857 -5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -9.944 -0.577 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -9.052 -1.763 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -11.003 -2.581 -5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -11.937 -1.154 -5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -11.558 -1.833 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -11.044 -3.384 -7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -13.171 -3.889 -6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -13.660 -2.208 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -14.764 -3.376 -8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -13.747 -2.172 -9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -13.273 -3.801 -9.391 1.00 0.00 H new ATOM 456 N GLN A 434 -8.849 -0.578 -3.312 1.00 0.00 N ATOM 457 CA GLN A 434 -8.987 -1.093 -1.955 1.00 0.00 C ATOM 458 C GLN A 434 -8.728 0.003 -0.927 1.00 0.00 C ATOM 459 O GLN A 434 -9.243 -0.045 0.190 1.00 0.00 O ATOM 460 CB GLN A 434 -8.023 -2.259 -1.729 1.00 0.00 C ATOM 461 CG GLN A 434 -8.068 -2.822 -0.317 1.00 0.00 C ATOM 462 CD GLN A 434 -9.400 -3.466 0.012 1.00 0.00 C ATOM 463 OE1 GLN A 434 -10.401 -2.779 0.216 1.00 0.00 O ATOM 464 NE2 GLN A 434 -9.419 -4.793 0.065 1.00 0.00 N ATOM 0 H GLN A 434 -7.916 -0.233 -3.540 1.00 0.00 H new ATOM 0 HA GLN A 434 -10.010 -1.447 -1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -8.257 -3.055 -2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -7.008 -1.927 -1.947 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -7.273 -3.559 -0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -7.870 -2.022 0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -8.565 -5.323 -0.111 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -10.287 -5.282 0.282 1.00 0.00 H new ATOM 473 N VAL A 435 -7.925 0.990 -1.311 1.00 0.00 N ATOM 474 CA VAL A 435 -7.598 2.099 -0.423 1.00 0.00 C ATOM 475 C VAL A 435 -8.150 3.415 -0.960 1.00 0.00 C ATOM 476 O VAL A 435 -8.597 4.271 -0.196 1.00 0.00 O ATOM 477 CB VAL A 435 -6.075 2.234 -0.232 1.00 0.00 C ATOM 478 CG1 VAL A 435 -5.761 3.288 0.819 1.00 0.00 C ATOM 479 CG2 VAL A 435 -5.465 0.893 0.147 1.00 0.00 C ATOM 0 H VAL A 435 -7.489 1.044 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 435 -8.060 1.881 0.540 1.00 0.00 H new ATOM 0 HB VAL A 435 -5.634 2.554 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 435 -4.681 3.370 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 435 -6.164 4.250 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 435 -6.212 3.001 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 435 -4.389 1.007 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 435 -5.909 0.542 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 435 -5.660 0.168 -0.644 1.00 0.00 H new ATOM 489 N HIS A 436 -8.117 3.569 -2.280 1.00 0.00 N ATOM 490 CA HIS A 436 -8.616 4.781 -2.921 1.00 0.00 C ATOM 491 C HIS A 436 -10.062 4.600 -3.374 1.00 0.00 C ATOM 492 O HIS A 436 -10.622 5.459 -4.057 1.00 0.00 O ATOM 493 CB HIS A 436 -7.737 5.151 -4.116 1.00 0.00 C ATOM 494 CG HIS A 436 -6.386 5.667 -3.728 1.00 0.00 C ATOM 495 ND1 HIS A 436 -6.205 6.778 -2.931 1.00 0.00 N ATOM 496 CD2 HIS A 436 -5.145 5.218 -4.031 1.00 0.00 C ATOM 497 CE1 HIS A 436 -4.912 6.990 -2.762 1.00 0.00 C ATOM 498 NE2 HIS A 436 -4.247 6.057 -3.419 1.00 0.00 N ATOM 0 H HIS A 436 -7.750 2.870 -2.926 1.00 0.00 H new ATOM 0 HA HIS A 436 -8.581 5.589 -2.191 1.00 0.00 H new ATOM 0 HB2 HIS A 436 -7.613 4.274 -4.751 1.00 0.00 H new ATOM 0 HB3 HIS A 436 -8.248 5.907 -4.712 1.00 0.00 H new ATOM 0 HD1 HIS A 436 -6.953 7.347 -2.534 1.00 0.00 H new ATOM 0 HD2 HIS A 436 -4.906 4.359 -4.641 1.00 0.00 H new ATOM 0 HE1 HIS A 436 -4.473 7.790 -2.185 1.00 0.00 H new ATOM 506 N THR A 437 -10.661 3.478 -2.990 1.00 0.00 N ATOM 507 CA THR A 437 -12.040 3.183 -3.359 1.00 0.00 C ATOM 508 C THR A 437 -13.019 3.803 -2.367 1.00 0.00 C ATOM 509 O THR A 437 -14.051 4.348 -2.757 1.00 0.00 O ATOM 510 CB THR A 437 -12.291 1.665 -3.429 1.00 0.00 C ATOM 511 OG1 THR A 437 -13.692 1.406 -3.574 1.00 0.00 O ATOM 512 CG2 THR A 437 -11.769 0.972 -2.180 1.00 0.00 C ATOM 0 H THR A 437 -10.213 2.758 -2.423 1.00 0.00 H new ATOM 0 HA THR A 437 -12.202 3.616 -4.346 1.00 0.00 H new ATOM 0 HB THR A 437 -11.758 1.271 -4.294 1.00 0.00 H new ATOM 0 HG1 THR A 437 -13.843 0.439 -3.619 1.00 0.00 H new ATOM 0 HG21 THR A 437 -11.958 -0.099 -2.252 1.00 0.00 H new ATOM 0 HG22 THR A 437 -10.697 1.146 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A 437 -12.278 1.371 -1.303 1.00 0.00 H new ATOM 520 N SER A 438 -12.687 3.715 -1.083 1.00 0.00 N ATOM 521 CA SER A 438 -13.539 4.265 -0.034 1.00 0.00 C ATOM 522 C SER A 438 -13.637 5.783 -0.154 1.00 0.00 C ATOM 523 O SER A 438 -12.910 6.403 -0.930 1.00 0.00 O ATOM 524 CB SER A 438 -12.996 3.885 1.344 1.00 0.00 C ATOM 525 OG SER A 438 -13.988 4.043 2.344 1.00 0.00 O ATOM 0 H SER A 438 -11.835 3.269 -0.744 1.00 0.00 H new ATOM 0 HA SER A 438 -14.537 3.844 -0.152 1.00 0.00 H new ATOM 0 HB2 SER A 438 -12.651 2.851 1.330 1.00 0.00 H new ATOM 0 HB3 SER A 438 -12.133 4.506 1.582 1.00 0.00 H new ATOM 0 HG SER A 438 -13.617 3.792 3.216 1.00 0.00 H new ATOM 531 N GLU A 439 -14.541 6.374 0.620 1.00 0.00 N ATOM 532 CA GLU A 439 -14.735 7.819 0.600 1.00 0.00 C ATOM 533 C GLU A 439 -13.946 8.490 1.722 1.00 0.00 C ATOM 534 O GLU A 439 -13.891 7.986 2.843 1.00 0.00 O ATOM 535 CB GLU A 439 -16.221 8.159 0.734 1.00 0.00 C ATOM 536 CG GLU A 439 -17.027 7.869 -0.522 1.00 0.00 C ATOM 537 CD GLU A 439 -18.212 8.801 -0.681 1.00 0.00 C ATOM 538 OE1 GLU A 439 -18.042 9.877 -1.292 1.00 0.00 O ATOM 539 OE2 GLU A 439 -19.310 8.454 -0.197 1.00 0.00 O ATOM 0 H GLU A 439 -15.150 5.875 1.268 1.00 0.00 H new ATOM 0 HA GLU A 439 -14.368 8.195 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 439 -16.641 7.592 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 439 -16.322 9.215 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 439 -16.379 7.959 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 439 -17.381 6.839 -0.492 1.00 0.00 H new ATOM 546 N ARG A 440 -13.337 9.629 1.409 1.00 0.00 N ATOM 547 CA ARG A 440 -12.550 10.368 2.389 1.00 0.00 C ATOM 548 C ARG A 440 -13.452 11.200 3.296 1.00 0.00 C ATOM 549 O ARG A 440 -14.555 11.596 2.920 1.00 0.00 O ATOM 550 CB ARG A 440 -11.541 11.276 1.684 1.00 0.00 C ATOM 551 CG ARG A 440 -10.319 10.538 1.160 1.00 0.00 C ATOM 552 CD ARG A 440 -9.149 11.484 0.940 1.00 0.00 C ATOM 553 NE ARG A 440 -9.317 12.292 -0.265 1.00 0.00 N ATOM 554 CZ ARG A 440 -8.675 13.435 -0.480 1.00 0.00 C ATOM 555 NH1 ARG A 440 -7.826 13.901 0.425 1.00 0.00 N ATOM 556 NH2 ARG A 440 -8.881 14.113 -1.601 1.00 0.00 N ATOM 0 H ARG A 440 -13.373 10.060 0.485 1.00 0.00 H new ATOM 0 HA ARG A 440 -12.012 9.646 3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 440 -12.036 11.778 0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 440 -11.217 12.052 2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 440 -10.031 9.760 1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 440 -10.567 10.040 0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 440 -9.046 12.140 1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -8.227 10.908 0.865 1.00 0.00 H new ATOM 0 HE ARG A 440 -9.963 11.960 -0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -7.665 13.382 1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -7.334 14.779 0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -9.533 13.757 -2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -8.387 14.990 -1.764 1.00 0.00 H new ATOM 570 N PRO A 441 -12.974 11.470 4.519 1.00 0.00 N ATOM 571 CA PRO A 441 -13.721 12.257 5.505 1.00 0.00 C ATOM 572 C PRO A 441 -13.826 13.727 5.114 1.00 0.00 C ATOM 573 O PRO A 441 -14.644 14.468 5.660 1.00 0.00 O ATOM 574 CB PRO A 441 -12.894 12.102 6.783 1.00 0.00 C ATOM 575 CG PRO A 441 -11.512 11.814 6.308 1.00 0.00 C ATOM 576 CD PRO A 441 -11.667 11.029 5.035 1.00 0.00 C ATOM 0 HA PRO A 441 -14.751 11.915 5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 441 -12.924 13.009 7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 441 -13.275 11.293 7.405 1.00 0.00 H new ATOM 0 HG2 PRO A 441 -10.959 12.737 6.132 1.00 0.00 H new ATOM 0 HG3 PRO A 441 -10.954 11.245 7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 441 -10.864 11.244 4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 441 -11.650 9.955 5.221 1.00 0.00 H new ATOM 584 N HIS A 442 -12.993 14.143 4.165 1.00 0.00 N ATOM 585 CA HIS A 442 -12.994 15.526 3.700 1.00 0.00 C ATOM 586 C HIS A 442 -14.204 15.800 2.812 1.00 0.00 C ATOM 587 O HIS A 442 -14.809 16.870 2.882 1.00 0.00 O ATOM 588 CB HIS A 442 -11.706 15.829 2.934 1.00 0.00 C ATOM 589 CG HIS A 442 -11.495 17.288 2.670 1.00 0.00 C ATOM 590 ND1 HIS A 442 -12.311 18.215 2.116 1.00 0.00 N flip ATOM 591 CD2 HIS A 442 -10.326 17.948 2.985 1.00 0.00 C flip ATOM 592 CE1 HIS A 442 -11.628 19.406 2.108 1.00 0.00 C flip ATOM 593 NE2 HIS A 442 -10.433 19.218 2.638 1.00 0.00 N flip ATOM 0 H HIS A 442 -12.309 13.543 3.703 1.00 0.00 H new ATOM 0 HA HIS A 442 -13.051 16.177 4.573 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -10.858 15.444 3.500 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -11.724 15.295 1.984 1.00 0.00 H new ATOM 0 HD1 HIS A 442 -13.257 18.058 1.769 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -9.458 17.497 3.444 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -12.006 20.344 1.730 1.00 0.00 H new ATOM 601 N LYS A 443 -14.552 14.827 1.977 1.00 0.00 N ATOM 602 CA LYS A 443 -15.690 14.962 1.076 1.00 0.00 C ATOM 603 C LYS A 443 -16.884 14.159 1.582 1.00 0.00 C ATOM 604 O LYS A 443 -17.108 13.026 1.155 1.00 0.00 O ATOM 605 CB LYS A 443 -15.310 14.498 -0.332 1.00 0.00 C ATOM 606 CG LYS A 443 -14.476 15.507 -1.101 1.00 0.00 C ATOM 607 CD LYS A 443 -15.337 16.621 -1.674 1.00 0.00 C ATOM 608 CE LYS A 443 -15.840 16.276 -3.067 1.00 0.00 C ATOM 609 NZ LYS A 443 -16.084 17.496 -3.886 1.00 0.00 N ATOM 0 H LYS A 443 -14.062 13.935 1.906 1.00 0.00 H new ATOM 0 HA LYS A 443 -15.971 16.015 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -14.757 13.562 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -16.220 14.288 -0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -13.720 15.933 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -13.947 15.002 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -16.185 16.803 -1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -14.760 17.545 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -15.111 15.641 -3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -16.763 15.701 -2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -16.426 17.219 -4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -16.799 18.090 -3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -15.198 18.032 -3.983 1.00 0.00 H new ATOM 623 N CYS A 444 -17.647 14.753 2.493 1.00 0.00 N ATOM 624 CA CYS A 444 -18.819 14.093 3.057 1.00 0.00 C ATOM 625 C CYS A 444 -20.097 14.826 2.665 1.00 0.00 C ATOM 626 O CYS A 444 -20.049 15.912 2.089 1.00 0.00 O ATOM 627 CB CYS A 444 -18.705 14.020 4.581 1.00 0.00 C ATOM 628 SG CYS A 444 -18.800 15.626 5.406 1.00 0.00 S ATOM 0 H CYS A 444 -17.475 15.690 2.857 1.00 0.00 H new ATOM 0 HA CYS A 444 -18.864 13.081 2.654 1.00 0.00 H new ATOM 0 HB2 CYS A 444 -19.499 13.379 4.964 1.00 0.00 H new ATOM 0 HB3 CYS A 444 -17.759 13.545 4.842 1.00 0.00 H new ATOM 0 HG CYS A 444 -19.967 16.157 5.189 1.00 0.00 H new ATOM 634 N GLN A 445 -21.239 14.223 2.981 1.00 0.00 N ATOM 635 CA GLN A 445 -22.531 14.819 2.659 1.00 0.00 C ATOM 636 C GLN A 445 -22.784 16.060 3.507 1.00 0.00 C ATOM 637 O GLN A 445 -22.020 16.366 4.423 1.00 0.00 O ATOM 638 CB GLN A 445 -23.653 13.801 2.874 1.00 0.00 C ATOM 639 CG GLN A 445 -23.908 12.913 1.667 1.00 0.00 C ATOM 640 CD GLN A 445 -24.091 13.705 0.388 1.00 0.00 C ATOM 641 OE1 GLN A 445 -22.992 13.967 -0.310 1.00 0.00 O flip ATOM 642 NE2 GLN A 445 -25.209 14.079 0.030 1.00 0.00 N flip ATOM 0 H GLN A 445 -21.296 13.324 3.459 1.00 0.00 H new ATOM 0 HA GLN A 445 -22.515 15.116 1.610 1.00 0.00 H new ATOM 0 HB2 GLN A 445 -23.404 13.174 3.730 1.00 0.00 H new ATOM 0 HB3 GLN A 445 -24.571 14.332 3.124 1.00 0.00 H new ATOM 0 HG2 GLN A 445 -23.073 12.223 1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 445 -24.798 12.309 1.846 1.00 0.00 H new ATOM 0 HE21 GLN A 445 -26.027 13.856 0.597 1.00 0.00 H new ATOM 0 HE22 GLN A 445 -25.316 14.612 -0.833 1.00 0.00 H new ATOM 651 N VAL A 446 -23.862 16.773 3.197 1.00 0.00 N ATOM 652 CA VAL A 446 -24.217 17.982 3.931 1.00 0.00 C ATOM 653 C VAL A 446 -24.624 17.655 5.364 1.00 0.00 C ATOM 654 O VAL A 446 -25.239 16.621 5.624 1.00 0.00 O ATOM 655 CB VAL A 446 -25.369 18.739 3.243 1.00 0.00 C ATOM 656 CG1 VAL A 446 -25.772 19.956 4.061 1.00 0.00 C ATOM 657 CG2 VAL A 446 -24.971 19.144 1.831 1.00 0.00 C ATOM 0 H VAL A 446 -24.505 16.534 2.442 1.00 0.00 H new ATOM 0 HA VAL A 446 -23.331 18.616 3.943 1.00 0.00 H new ATOM 0 HB VAL A 446 -26.230 18.074 3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 446 -26.587 20.478 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 446 -26.100 19.637 5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 446 -24.918 20.626 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 446 -25.796 19.678 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 446 -24.096 19.792 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 446 -24.736 18.253 1.249 1.00 0.00 H new ATOM 667 N TRP A 447 -24.276 18.542 6.288 1.00 0.00 N ATOM 668 CA TRP A 447 -24.605 18.348 7.696 1.00 0.00 C ATOM 669 C TRP A 447 -24.862 19.685 8.384 1.00 0.00 C ATOM 670 O TRP A 447 -24.174 20.672 8.121 1.00 0.00 O ATOM 671 CB TRP A 447 -23.474 17.603 8.407 1.00 0.00 C ATOM 672 CG TRP A 447 -23.344 17.964 9.856 1.00 0.00 C ATOM 673 CD1 TRP A 447 -23.749 17.219 10.926 1.00 0.00 C ATOM 674 CD2 TRP A 447 -22.771 19.162 10.392 1.00 0.00 C ATOM 675 NE1 TRP A 447 -23.463 17.881 12.096 1.00 0.00 N ATOM 676 CE2 TRP A 447 -22.862 19.075 11.796 1.00 0.00 C ATOM 677 CE3 TRP A 447 -22.189 20.298 9.825 1.00 0.00 C ATOM 678 CZ2 TRP A 447 -22.393 20.081 12.635 1.00 0.00 C ATOM 679 CZ3 TRP A 447 -21.725 21.296 10.660 1.00 0.00 C ATOM 680 CH2 TRP A 447 -21.828 21.183 12.052 1.00 0.00 C ATOM 0 H TRP A 447 -23.766 19.403 6.089 1.00 0.00 H new ATOM 0 HA TRP A 447 -25.515 17.751 7.752 1.00 0.00 H new ATOM 0 HB2 TRP A 447 -23.645 16.530 8.321 1.00 0.00 H new ATOM 0 HB3 TRP A 447 -22.533 17.817 7.901 1.00 0.00 H new ATOM 0 HD1 TRP A 447 -24.224 16.251 10.862 1.00 0.00 H new ATOM 0 HE1 TRP A 447 -23.665 17.539 13.035 1.00 0.00 H new ATOM 0 HE3 TRP A 447 -22.103 20.395 8.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 447 -22.472 19.995 13.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 447 -21.275 22.179 10.232 1.00 0.00 H new ATOM 0 HH2 TRP A 447 -21.455 21.980 12.677 1.00 0.00 H new ATOM 691 N VAL A 448 -25.855 19.710 9.267 1.00 0.00 N ATOM 692 CA VAL A 448 -26.202 20.925 9.994 1.00 0.00 C ATOM 693 C VAL A 448 -24.957 21.744 10.319 1.00 0.00 C ATOM 694 O VAL A 448 -24.237 21.445 11.272 1.00 0.00 O ATOM 695 CB VAL A 448 -26.948 20.603 11.302 1.00 0.00 C ATOM 696 CG1 VAL A 448 -28.383 20.191 11.011 1.00 0.00 C ATOM 697 CG2 VAL A 448 -26.219 19.516 12.077 1.00 0.00 C ATOM 0 H VAL A 448 -26.434 18.902 9.496 1.00 0.00 H new ATOM 0 HA VAL A 448 -26.857 21.506 9.346 1.00 0.00 H new ATOM 0 HB VAL A 448 -26.972 21.502 11.917 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -28.894 19.967 11.947 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -28.899 21.005 10.501 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -28.386 19.305 10.376 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -26.760 19.301 12.999 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -26.162 18.612 11.470 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -25.211 19.855 12.318 1.00 0.00 H new ATOM 707 N SER A 449 -24.711 22.778 9.522 1.00 0.00 N ATOM 708 CA SER A 449 -23.552 23.639 9.723 1.00 0.00 C ATOM 709 C SER A 449 -23.965 25.107 9.762 1.00 0.00 C ATOM 710 O SER A 449 -25.074 25.462 9.363 1.00 0.00 O ATOM 711 CB SER A 449 -22.525 23.417 8.611 1.00 0.00 C ATOM 712 OG SER A 449 -22.841 24.186 7.464 1.00 0.00 O ATOM 0 H SER A 449 -25.299 23.040 8.731 1.00 0.00 H new ATOM 0 HA SER A 449 -23.102 23.380 10.681 1.00 0.00 H new ATOM 0 HB2 SER A 449 -21.532 23.686 8.970 1.00 0.00 H new ATOM 0 HB3 SER A 449 -22.493 22.360 8.347 1.00 0.00 H new ATOM 0 HG SER A 449 -22.169 24.028 6.769 1.00 0.00 H new ATOM 718 N GLY A 450 -23.065 25.957 10.246 1.00 0.00 N ATOM 719 CA GLY A 450 -23.354 27.377 10.329 1.00 0.00 C ATOM 720 C GLY A 450 -22.432 28.208 9.459 1.00 0.00 C ATOM 721 O GLY A 450 -22.811 28.671 8.382 1.00 0.00 O ATOM 0 H GLY A 450 -22.140 25.688 10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 450 -24.387 27.552 10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 450 -23.263 27.703 11.365 1.00 0.00 H new ATOM 725 N PRO A 451 -21.192 28.409 9.927 1.00 0.00 N ATOM 726 CA PRO A 451 -20.188 29.192 9.199 1.00 0.00 C ATOM 727 C PRO A 451 -19.704 28.485 7.938 1.00 0.00 C ATOM 728 O PRO A 451 -18.768 27.686 7.984 1.00 0.00 O ATOM 729 CB PRO A 451 -19.046 29.330 10.208 1.00 0.00 C ATOM 730 CG PRO A 451 -19.195 28.156 11.113 1.00 0.00 C ATOM 731 CD PRO A 451 -20.672 27.888 11.202 1.00 0.00 C ATOM 0 HA PRO A 451 -20.587 30.146 8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 451 -18.076 29.326 9.711 1.00 0.00 H new ATOM 0 HB3 PRO A 451 -19.117 30.267 10.760 1.00 0.00 H new ATOM 0 HG2 PRO A 451 -18.664 27.289 10.719 1.00 0.00 H new ATOM 0 HG3 PRO A 451 -18.776 28.366 12.097 1.00 0.00 H new ATOM 0 HD2 PRO A 451 -20.881 26.824 11.316 1.00 0.00 H new ATOM 0 HD3 PRO A 451 -21.121 28.395 12.056 1.00 0.00 H new ATOM 739 N SER A 452 -20.346 28.783 6.814 1.00 0.00 N ATOM 740 CA SER A 452 -19.981 28.173 5.540 1.00 0.00 C ATOM 741 C SER A 452 -20.022 29.201 4.414 1.00 0.00 C ATOM 742 O SER A 452 -21.031 29.876 4.211 1.00 0.00 O ATOM 743 CB SER A 452 -20.923 27.011 5.220 1.00 0.00 C ATOM 744 OG SER A 452 -22.276 27.433 5.230 1.00 0.00 O ATOM 0 H SER A 452 -21.122 29.443 6.759 1.00 0.00 H new ATOM 0 HA SER A 452 -18.963 27.794 5.625 1.00 0.00 H new ATOM 0 HB2 SER A 452 -20.675 26.597 4.243 1.00 0.00 H new ATOM 0 HB3 SER A 452 -20.782 26.213 5.949 1.00 0.00 H new ATOM 0 HG SER A 452 -22.320 28.395 5.048 1.00 0.00 H new ATOM 750 N SER A 453 -18.917 29.314 3.684 1.00 0.00 N ATOM 751 CA SER A 453 -18.823 30.262 2.580 1.00 0.00 C ATOM 752 C SER A 453 -19.157 29.585 1.253 1.00 0.00 C ATOM 753 O SER A 453 -19.943 30.102 0.461 1.00 0.00 O ATOM 754 CB SER A 453 -17.420 30.868 2.518 1.00 0.00 C ATOM 755 OG SER A 453 -16.450 29.879 2.220 1.00 0.00 O ATOM 0 H SER A 453 -18.074 28.761 3.837 1.00 0.00 H new ATOM 0 HA SER A 453 -19.547 31.058 2.754 1.00 0.00 H new ATOM 0 HB2 SER A 453 -17.391 31.650 1.759 1.00 0.00 H new ATOM 0 HB3 SER A 453 -17.182 31.340 3.471 1.00 0.00 H new ATOM 0 HG SER A 453 -15.562 30.292 2.184 1.00 0.00 H new ATOM 761 N GLY A 454 -18.552 28.424 1.020 1.00 0.00 N ATOM 762 CA GLY A 454 -18.796 27.695 -0.211 1.00 0.00 C ATOM 763 C GLY A 454 -17.564 27.611 -1.090 1.00 0.00 C ATOM 764 O GLY A 454 -16.528 28.196 -0.774 1.00 0.00 O ATOM 0 H GLY A 454 -17.898 27.976 1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -19.137 26.688 0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -19.600 28.181 -0.764 1.00 0.00 H new TER 768 GLY A 454 HETATM 769 ZN ZN A 201 -2.588 5.185 -3.804 1.00 0.00 ZN