USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 553 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 463 HIS HD1 : A 463 HIS ND1 : A 470 ZNZN :(H bumps) USER MOD NoAdj-H: A 465 HIS HE2 : A 465 HIS NE2 : A 470 ZNZN :(H bumps) USER MOD Set 1.1: A 416 LYS NZ :NH3+ -104:sc= -0.756 (180deg=-2.4!) USER MOD Set 1.2: A 419 GLN : amide:sc= 0 K(o=-0.76,f=-1.4) USER MOD Single : A 400 GLN : amide:sc= -0.324 K(o=-0.32,f=-2.5!) USER MOD Single : A 401 THR OG1 : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot -116:sc= 0.29 USER MOD Single : A 403 SER OG : rot 180:sc= 0.0615 USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 417 TYR OH : rot 165:sc= -0.942 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 ASN : amide:sc= -0.108 K(o=-0.11,f=-2!) USER MOD Single : A 427 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 431 TYR OH : rot 30:sc= 0 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ -154:sc= -0.0545 (180deg=-0.317) USER MOD Single : A 435 THR OG1 : rot -64:sc= 0.637 USER MOD Single : A 436 THR OG1 : rot 168:sc= 0.0527 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 HIS :FLIP no HD1:sc= -0.0688 F(o=-0.72,f=-0.053) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0 USER MOD Single : A 453 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0722) USER MOD Single : A 457 THR OG1 : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 399 -12.582 11.082 22.607 1.00 0.00 N ATOM 2 CA VAL A 399 -11.710 10.006 23.138 1.00 0.00 C ATOM 3 C VAL A 399 -12.491 8.713 23.341 1.00 0.00 C ATOM 4 O VAL A 399 -13.098 8.500 24.389 1.00 0.00 O ATOM 5 CB VAL A 399 -11.070 10.414 24.480 1.00 0.00 C ATOM 6 CG1 VAL A 399 -10.026 9.395 24.906 1.00 0.00 C ATOM 7 CG2 VAL A 399 -10.461 11.804 24.378 1.00 0.00 C ATOM 0 HA VAL A 399 -10.926 9.844 22.399 1.00 0.00 H new ATOM 0 HB VAL A 399 -11.849 10.439 25.242 1.00 0.00 H new ATOM 0 HG11 VAL A 399 -9.586 9.700 25.855 1.00 0.00 H new ATOM 0 HG12 VAL A 399 -10.497 8.419 25.022 1.00 0.00 H new ATOM 0 HG13 VAL A 399 -9.246 9.334 24.147 1.00 0.00 H new ATOM 0 HG21 VAL A 399 -10.014 12.076 25.334 1.00 0.00 H new ATOM 0 HG22 VAL A 399 -9.694 11.809 23.604 1.00 0.00 H new ATOM 0 HG23 VAL A 399 -11.239 12.524 24.123 1.00 0.00 H new ATOM 17 N GLN A 400 -12.472 7.851 22.327 1.00 0.00 N ATOM 18 CA GLN A 400 -13.180 6.578 22.393 1.00 0.00 C ATOM 19 C GLN A 400 -12.283 5.488 22.974 1.00 0.00 C ATOM 20 O GLN A 400 -11.059 5.554 22.862 1.00 0.00 O ATOM 21 CB GLN A 400 -13.666 6.168 21.003 1.00 0.00 C ATOM 22 CG GLN A 400 -14.623 7.167 20.374 1.00 0.00 C ATOM 23 CD GLN A 400 -15.812 6.500 19.711 1.00 0.00 C ATOM 24 OE1 GLN A 400 -16.141 5.351 20.009 1.00 0.00 O ATOM 25 NE2 GLN A 400 -16.463 7.217 18.803 1.00 0.00 N ATOM 0 H GLN A 400 -11.974 8.012 21.451 1.00 0.00 H new ATOM 0 HA GLN A 400 -14.042 6.703 23.048 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -12.804 6.042 20.348 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -14.159 5.198 21.071 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -14.979 7.856 21.141 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -14.087 7.762 19.635 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -16.156 8.165 18.587 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -17.270 6.819 18.322 1.00 0.00 H new ATOM 34 N THR A 401 -12.900 4.489 23.594 1.00 0.00 N ATOM 35 CA THR A 401 -12.158 3.386 24.192 1.00 0.00 C ATOM 36 C THR A 401 -12.201 2.147 23.304 1.00 0.00 C ATOM 37 O THR A 401 -13.165 1.382 23.334 1.00 0.00 O ATOM 38 CB THR A 401 -12.711 3.024 25.583 1.00 0.00 C ATOM 39 OG1 THR A 401 -13.362 4.160 26.163 1.00 0.00 O ATOM 40 CG2 THR A 401 -11.594 2.550 26.501 1.00 0.00 C ATOM 0 H THR A 401 -13.913 4.420 23.696 1.00 0.00 H new ATOM 0 HA THR A 401 -11.126 3.721 24.295 1.00 0.00 H new ATOM 0 HB THR A 401 -13.432 2.215 25.464 1.00 0.00 H new ATOM 0 HG1 THR A 401 -13.712 3.921 27.046 1.00 0.00 H new ATOM 0 HG21 THR A 401 -12.008 2.300 27.478 1.00 0.00 H new ATOM 0 HG22 THR A 401 -11.119 1.668 26.071 1.00 0.00 H new ATOM 0 HG23 THR A 401 -10.854 3.342 26.612 1.00 0.00 H new ATOM 48 N THR A 402 -11.150 1.957 22.512 1.00 0.00 N ATOM 49 CA THR A 402 -11.067 0.810 21.615 1.00 0.00 C ATOM 50 C THR A 402 -10.023 -0.191 22.097 1.00 0.00 C ATOM 51 O THR A 402 -8.859 0.159 22.297 1.00 0.00 O ATOM 52 CB THR A 402 -10.720 1.244 20.178 1.00 0.00 C ATOM 53 OG1 THR A 402 -10.413 0.094 19.379 1.00 0.00 O ATOM 54 CG2 THR A 402 -9.539 2.201 20.173 1.00 0.00 C ATOM 0 H THR A 402 -10.345 2.582 22.473 1.00 0.00 H new ATOM 0 HA THR A 402 -12.049 0.336 21.617 1.00 0.00 H new ATOM 0 HB THR A 402 -11.585 1.757 19.758 1.00 0.00 H new ATOM 0 HG1 THR A 402 -9.479 0.138 19.087 1.00 0.00 H new ATOM 0 HG21 THR A 402 -9.312 2.494 19.148 1.00 0.00 H new ATOM 0 HG22 THR A 402 -9.786 3.087 20.757 1.00 0.00 H new ATOM 0 HG23 THR A 402 -8.670 1.709 20.610 1.00 0.00 H new ATOM 62 N SER A 403 -10.444 -1.437 22.283 1.00 0.00 N ATOM 63 CA SER A 403 -9.544 -2.488 22.741 1.00 0.00 C ATOM 64 C SER A 403 -8.600 -2.919 21.626 1.00 0.00 C ATOM 65 O SER A 403 -7.424 -3.195 21.863 1.00 0.00 O ATOM 66 CB SER A 403 -10.343 -3.691 23.244 1.00 0.00 C ATOM 67 OG SER A 403 -11.657 -3.312 23.616 1.00 0.00 O ATOM 0 H SER A 403 -11.404 -1.744 22.123 1.00 0.00 H new ATOM 0 HA SER A 403 -8.948 -2.089 23.562 1.00 0.00 H new ATOM 0 HB2 SER A 403 -10.388 -4.453 22.466 1.00 0.00 H new ATOM 0 HB3 SER A 403 -9.834 -4.138 24.098 1.00 0.00 H new ATOM 0 HG SER A 403 -12.147 -4.099 23.932 1.00 0.00 H new ATOM 73 N GLU A 404 -9.123 -2.974 20.406 1.00 0.00 N ATOM 74 CA GLU A 404 -8.331 -3.371 19.250 1.00 0.00 C ATOM 75 C GLU A 404 -7.875 -2.152 18.456 1.00 0.00 C ATOM 76 O GLU A 404 -8.695 -1.409 17.915 1.00 0.00 O ATOM 77 CB GLU A 404 -9.136 -4.309 18.348 1.00 0.00 C ATOM 78 CG GLU A 404 -8.273 -5.221 17.492 1.00 0.00 C ATOM 79 CD GLU A 404 -9.094 -6.129 16.597 1.00 0.00 C ATOM 80 OE1 GLU A 404 -10.160 -6.599 17.048 1.00 0.00 O ATOM 81 OE2 GLU A 404 -8.672 -6.369 15.447 1.00 0.00 O ATOM 0 H GLU A 404 -10.095 -2.748 20.193 1.00 0.00 H new ATOM 0 HA GLU A 404 -7.448 -3.897 19.613 1.00 0.00 H new ATOM 0 HB2 GLU A 404 -9.792 -4.920 18.968 1.00 0.00 H new ATOM 0 HB3 GLU A 404 -9.776 -3.713 17.697 1.00 0.00 H new ATOM 0 HG2 GLU A 404 -7.609 -4.614 16.877 1.00 0.00 H new ATOM 0 HG3 GLU A 404 -7.641 -5.829 18.139 1.00 0.00 H new ATOM 88 N VAL A 405 -6.563 -1.948 18.391 1.00 0.00 N ATOM 89 CA VAL A 405 -6.000 -0.817 17.664 1.00 0.00 C ATOM 90 C VAL A 405 -5.548 -1.233 16.267 1.00 0.00 C ATOM 91 O VAL A 405 -4.599 -2.000 16.114 1.00 0.00 O ATOM 92 CB VAL A 405 -4.807 -0.199 18.421 1.00 0.00 C ATOM 93 CG1 VAL A 405 -3.683 -1.213 18.579 1.00 0.00 C ATOM 94 CG2 VAL A 405 -4.311 1.051 17.709 1.00 0.00 C ATOM 0 H VAL A 405 -5.870 -2.552 18.833 1.00 0.00 H new ATOM 0 HA VAL A 405 -6.789 -0.070 17.578 1.00 0.00 H new ATOM 0 HB VAL A 405 -5.146 0.087 19.417 1.00 0.00 H new ATOM 0 HG11 VAL A 405 -2.852 -0.755 19.116 1.00 0.00 H new ATOM 0 HG12 VAL A 405 -4.046 -2.074 19.140 1.00 0.00 H new ATOM 0 HG13 VAL A 405 -3.344 -1.537 17.595 1.00 0.00 H new ATOM 0 HG21 VAL A 405 -3.469 1.473 18.258 1.00 0.00 H new ATOM 0 HG22 VAL A 405 -3.993 0.792 16.699 1.00 0.00 H new ATOM 0 HG23 VAL A 405 -5.116 1.785 17.659 1.00 0.00 H new ATOM 104 N ASP A 406 -6.235 -0.719 15.253 1.00 0.00 N ATOM 105 CA ASP A 406 -5.905 -1.036 13.868 1.00 0.00 C ATOM 106 C ASP A 406 -4.911 -0.029 13.302 1.00 0.00 C ATOM 107 O ASP A 406 -3.739 -0.346 13.094 1.00 0.00 O ATOM 108 CB ASP A 406 -7.172 -1.056 13.011 1.00 0.00 C ATOM 109 CG ASP A 406 -8.138 -2.145 13.435 1.00 0.00 C ATOM 110 OD1 ASP A 406 -7.692 -3.121 14.073 1.00 0.00 O ATOM 111 OD2 ASP A 406 -9.344 -2.019 13.130 1.00 0.00 O ATOM 0 H ASP A 406 -7.023 -0.081 15.364 1.00 0.00 H new ATOM 0 HA ASP A 406 -5.445 -2.024 13.848 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -7.668 -0.088 13.078 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -6.899 -1.203 11.966 1.00 0.00 H new ATOM 116 N LEU A 407 -5.389 1.182 13.058 1.00 0.00 N ATOM 117 CA LEU A 407 -4.547 2.244 12.516 1.00 0.00 C ATOM 118 C LEU A 407 -3.876 3.031 13.637 1.00 0.00 C ATOM 119 O LEU A 407 -4.533 3.772 14.367 1.00 0.00 O ATOM 120 CB LEU A 407 -5.379 3.185 11.641 1.00 0.00 C ATOM 121 CG LEU A 407 -4.695 3.641 10.351 1.00 0.00 C ATOM 122 CD1 LEU A 407 -5.705 3.744 9.218 1.00 0.00 C ATOM 123 CD2 LEU A 407 -3.995 4.975 10.564 1.00 0.00 C ATOM 0 H LEU A 407 -6.357 1.456 13.226 1.00 0.00 H new ATOM 0 HA LEU A 407 -3.770 1.784 11.905 1.00 0.00 H new ATOM 0 HB2 LEU A 407 -6.313 2.686 11.383 1.00 0.00 H new ATOM 0 HB3 LEU A 407 -5.640 4.066 12.227 1.00 0.00 H new ATOM 0 HG LEU A 407 -3.946 2.898 10.077 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -5.200 4.070 8.309 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -6.163 2.769 9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 407 -6.477 4.467 9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -3.513 5.285 9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -4.726 5.726 10.862 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -3.243 4.870 11.346 1.00 0.00 H new ATOM 135 N LEU A 408 -2.563 2.865 13.766 1.00 0.00 N ATOM 136 CA LEU A 408 -1.804 3.560 14.799 1.00 0.00 C ATOM 137 C LEU A 408 -1.286 4.900 14.284 1.00 0.00 C ATOM 138 O LEU A 408 -1.551 5.283 13.144 1.00 0.00 O ATOM 139 CB LEU A 408 -0.632 2.695 15.269 1.00 0.00 C ATOM 140 CG LEU A 408 0.280 2.179 14.154 1.00 0.00 C ATOM 141 CD1 LEU A 408 1.735 2.208 14.597 1.00 0.00 C ATOM 142 CD2 LEU A 408 -0.125 0.770 13.746 1.00 0.00 C ATOM 0 H LEU A 408 -2.004 2.256 13.169 1.00 0.00 H new ATOM 0 HA LEU A 408 -2.470 3.747 15.641 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -0.031 3.274 15.970 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.028 1.841 15.818 1.00 0.00 H new ATOM 0 HG LEU A 408 0.172 2.834 13.290 1.00 0.00 H new ATOM 0 HD11 LEU A 408 2.368 1.837 13.791 1.00 0.00 H new ATOM 0 HD12 LEU A 408 2.021 3.231 14.842 1.00 0.00 H new ATOM 0 HD13 LEU A 408 1.860 1.576 15.476 1.00 0.00 H new ATOM 0 HD21 LEU A 408 0.533 0.418 12.952 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -0.045 0.105 14.606 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -1.154 0.777 13.387 1.00 0.00 H new ATOM 154 N ASP A 409 -0.546 5.608 15.132 1.00 0.00 N ATOM 155 CA ASP A 409 0.009 6.904 14.764 1.00 0.00 C ATOM 156 C ASP A 409 1.415 6.751 14.193 1.00 0.00 C ATOM 157 O ASP A 409 2.303 6.196 14.842 1.00 0.00 O ATOM 158 CB ASP A 409 0.037 7.834 15.977 1.00 0.00 C ATOM 159 CG ASP A 409 0.301 9.277 15.595 1.00 0.00 C ATOM 160 OD1 ASP A 409 0.913 9.506 14.529 1.00 0.00 O ATOM 161 OD2 ASP A 409 -0.103 10.178 16.359 1.00 0.00 O ATOM 0 H ASP A 409 -0.317 5.305 16.079 1.00 0.00 H new ATOM 0 HA ASP A 409 -0.630 7.340 13.996 1.00 0.00 H new ATOM 0 HB2 ASP A 409 -0.916 7.769 16.503 1.00 0.00 H new ATOM 0 HB3 ASP A 409 0.808 7.498 16.671 1.00 0.00 H new ATOM 166 N ASP A 410 1.612 7.247 12.976 1.00 0.00 N ATOM 167 CA ASP A 410 2.911 7.166 12.318 1.00 0.00 C ATOM 168 C ASP A 410 3.333 8.530 11.779 1.00 0.00 C ATOM 169 O ASP A 410 4.476 8.952 11.961 1.00 0.00 O ATOM 170 CB ASP A 410 2.867 6.147 11.178 1.00 0.00 C ATOM 171 CG ASP A 410 2.408 4.779 11.646 1.00 0.00 C ATOM 172 OD1 ASP A 410 1.199 4.617 11.912 1.00 0.00 O ATOM 173 OD2 ASP A 410 3.259 3.869 11.743 1.00 0.00 O ATOM 0 H ASP A 410 0.889 7.709 12.425 1.00 0.00 H new ATOM 0 HA ASP A 410 3.645 6.843 13.057 1.00 0.00 H new ATOM 0 HB2 ASP A 410 2.195 6.506 10.398 1.00 0.00 H new ATOM 0 HB3 ASP A 410 3.858 6.062 10.731 1.00 0.00 H new ATOM 178 N GLY A 411 2.406 9.212 11.117 1.00 0.00 N ATOM 179 CA GLY A 411 2.702 10.520 10.562 1.00 0.00 C ATOM 180 C GLY A 411 1.516 11.125 9.839 1.00 0.00 C ATOM 181 O GLY A 411 1.146 12.271 10.091 1.00 0.00 O ATOM 0 H GLY A 411 1.454 8.883 10.954 1.00 0.00 H new ATOM 0 HA2 GLY A 411 3.015 11.189 11.364 1.00 0.00 H new ATOM 0 HA3 GLY A 411 3.541 10.437 9.871 1.00 0.00 H new ATOM 185 N TYR A 412 0.920 10.352 8.935 1.00 0.00 N ATOM 186 CA TYR A 412 -0.231 10.821 8.173 1.00 0.00 C ATOM 187 C TYR A 412 -1.520 10.193 8.694 1.00 0.00 C ATOM 188 O TYR A 412 -1.493 9.158 9.359 1.00 0.00 O ATOM 189 CB TYR A 412 -0.055 10.491 6.689 1.00 0.00 C ATOM 190 CG TYR A 412 1.165 11.133 6.067 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.359 12.507 6.135 1.00 0.00 C ATOM 192 CD2 TYR A 412 2.120 10.366 5.414 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.473 13.098 5.566 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.236 10.950 4.844 1.00 0.00 C ATOM 195 CZ TYR A 412 3.407 12.315 4.924 1.00 0.00 C ATOM 196 OH TYR A 412 4.517 12.900 4.357 1.00 0.00 O ATOM 0 H TYR A 412 1.215 9.401 8.714 1.00 0.00 H new ATOM 0 HA TYR A 412 -0.299 11.902 8.293 1.00 0.00 H new ATOM 0 HB2 TYR A 412 0.014 9.410 6.571 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.943 10.815 6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.629 13.123 6.640 1.00 0.00 H new ATOM 0 HD2 TYR A 412 1.989 9.296 5.350 1.00 0.00 H new ATOM 0 HE1 TYR A 412 2.610 14.168 5.625 1.00 0.00 H new ATOM 0 HE2 TYR A 412 3.970 10.340 4.339 1.00 0.00 H new ATOM 0 HH TYR A 412 5.077 12.209 3.945 1.00 0.00 H new ATOM 206 N ARG A 413 -2.647 10.827 8.387 1.00 0.00 N ATOM 207 CA ARG A 413 -3.947 10.332 8.825 1.00 0.00 C ATOM 208 C ARG A 413 -4.571 9.430 7.766 1.00 0.00 C ATOM 209 O ARG A 413 -5.074 9.907 6.748 1.00 0.00 O ATOM 210 CB ARG A 413 -4.884 11.500 9.133 1.00 0.00 C ATOM 211 CG ARG A 413 -4.645 12.128 10.499 1.00 0.00 C ATOM 212 CD ARG A 413 -5.881 12.041 11.380 1.00 0.00 C ATOM 213 NE ARG A 413 -6.617 13.302 11.418 1.00 0.00 N ATOM 214 CZ ARG A 413 -7.885 13.408 11.809 1.00 0.00 C ATOM 215 NH1 ARG A 413 -8.559 12.334 12.198 1.00 0.00 N ATOM 216 NH2 ARG A 413 -8.479 14.594 11.813 1.00 0.00 N ATOM 0 H ARG A 413 -2.686 11.685 7.836 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.797 9.747 9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -4.764 12.264 8.365 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -5.915 11.152 9.078 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -3.812 11.626 10.990 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -4.359 13.172 10.375 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -6.535 11.251 11.010 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -5.586 11.763 12.392 1.00 0.00 H new ATOM 0 HE ARG A 413 -6.131 14.151 11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -8.106 11.420 12.199 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -9.530 12.422 12.496 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -7.964 15.423 11.517 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -9.451 14.677 12.112 1.00 0.00 H new ATOM 230 N TRP A 414 -4.536 8.124 8.011 1.00 0.00 N ATOM 231 CA TRP A 414 -5.097 7.155 7.078 1.00 0.00 C ATOM 232 C TRP A 414 -6.437 6.631 7.583 1.00 0.00 C ATOM 233 O TRP A 414 -6.730 6.691 8.778 1.00 0.00 O ATOM 234 CB TRP A 414 -4.125 5.992 6.872 1.00 0.00 C ATOM 235 CG TRP A 414 -2.784 6.423 6.364 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.707 6.801 7.113 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.376 6.521 4.995 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.654 7.128 6.293 1.00 0.00 N ATOM 239 CE2 TRP A 414 -1.040 6.965 4.988 1.00 0.00 C ATOM 240 CE3 TRP A 414 -3.010 6.277 3.774 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.328 7.169 3.808 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.304 6.480 2.603 1.00 0.00 C ATOM 243 CH2 TRP A 414 -0.974 6.921 2.627 1.00 0.00 C ATOM 0 H TRP A 414 -4.124 7.713 8.849 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.259 7.656 6.123 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -3.995 5.464 7.817 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.562 5.283 6.168 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -1.686 6.838 8.192 1.00 0.00 H new ATOM 0 HE1 TRP A 414 0.265 7.441 6.605 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -4.034 5.936 3.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.696 7.510 3.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.785 6.296 1.654 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.448 7.068 1.695 1.00 0.00 H new ATOM 254 N ARG A 415 -7.251 6.116 6.666 1.00 0.00 N ATOM 255 CA ARG A 415 -8.561 5.583 7.019 1.00 0.00 C ATOM 256 C ARG A 415 -8.939 4.420 6.105 1.00 0.00 C ATOM 257 O ARG A 415 -8.716 4.469 4.896 1.00 0.00 O ATOM 258 CB ARG A 415 -9.622 6.680 6.933 1.00 0.00 C ATOM 259 CG ARG A 415 -10.807 6.454 7.859 1.00 0.00 C ATOM 260 CD ARG A 415 -12.119 6.854 7.201 1.00 0.00 C ATOM 261 NE ARG A 415 -12.786 7.935 7.923 1.00 0.00 N ATOM 262 CZ ARG A 415 -13.494 7.756 9.035 1.00 0.00 C ATOM 263 NH1 ARG A 415 -13.630 6.544 9.557 1.00 0.00 N ATOM 264 NH2 ARG A 415 -14.068 8.794 9.628 1.00 0.00 N ATOM 0 H ARG A 415 -7.026 6.057 5.673 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.512 5.216 8.044 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -9.162 7.639 7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -9.981 6.747 5.906 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -10.849 5.403 8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -10.669 7.029 8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -11.929 7.167 6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -12.779 5.988 7.153 1.00 0.00 H new ATOM 0 HE ARG A 415 -12.704 8.882 7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -13.190 5.742 9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -14.174 6.414 10.410 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -13.966 9.728 9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -14.611 8.658 10.481 1.00 0.00 H new ATOM 278 N LYS A 416 -9.513 3.375 6.693 1.00 0.00 N ATOM 279 CA LYS A 416 -9.923 2.201 5.933 1.00 0.00 C ATOM 280 C LYS A 416 -11.292 2.416 5.295 1.00 0.00 C ATOM 281 O LYS A 416 -12.227 2.876 5.949 1.00 0.00 O ATOM 282 CB LYS A 416 -9.957 0.968 6.837 1.00 0.00 C ATOM 283 CG LYS A 416 -10.103 -0.342 6.077 1.00 0.00 C ATOM 284 CD LYS A 416 -10.787 -1.404 6.921 1.00 0.00 C ATOM 285 CE LYS A 416 -11.394 -2.499 6.059 1.00 0.00 C ATOM 286 NZ LYS A 416 -12.871 -2.584 6.224 1.00 0.00 N ATOM 0 H LYS A 416 -9.704 3.318 7.693 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.193 2.041 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.041 0.936 7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -10.785 1.065 7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -10.678 -0.173 5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -9.119 -0.697 5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -10.066 -1.841 7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -11.567 -0.942 7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -11.156 -2.310 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -10.944 -3.457 6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -13.107 -3.405 6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -13.220 -1.716 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -13.319 -2.690 5.291 1.00 0.00 H new ATOM 300 N TYR A 417 -11.401 2.079 4.014 1.00 0.00 N ATOM 301 CA TYR A 417 -12.657 2.234 3.288 1.00 0.00 C ATOM 302 C TYR A 417 -13.229 0.875 2.897 1.00 0.00 C ATOM 303 O TYR A 417 -14.446 0.677 2.907 1.00 0.00 O ATOM 304 CB TYR A 417 -12.442 3.086 2.036 1.00 0.00 C ATOM 305 CG TYR A 417 -11.459 2.488 1.054 1.00 0.00 C ATOM 306 CD1 TYR A 417 -11.869 1.542 0.122 1.00 0.00 C ATOM 307 CD2 TYR A 417 -10.124 2.868 1.059 1.00 0.00 C ATOM 308 CE1 TYR A 417 -10.975 0.993 -0.776 1.00 0.00 C ATOM 309 CE2 TYR A 417 -9.224 2.323 0.164 1.00 0.00 C ATOM 310 CZ TYR A 417 -9.655 1.386 -0.752 1.00 0.00 C ATOM 311 OH TYR A 417 -8.760 0.840 -1.645 1.00 0.00 O ATOM 0 H TYR A 417 -10.636 1.697 3.458 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.369 2.734 3.944 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.400 3.229 1.536 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.088 4.073 2.335 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -12.903 1.231 0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -9.783 3.602 1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -11.309 0.259 -1.494 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -8.188 2.629 0.181 1.00 0.00 H new ATOM 0 HH TYR A 417 -7.943 1.381 -1.662 1.00 0.00 H new ATOM 321 N GLY A 418 -12.347 -0.057 2.554 1.00 0.00 N ATOM 322 CA GLY A 418 -12.784 -1.386 2.164 1.00 0.00 C ATOM 323 C GLY A 418 -11.679 -2.416 2.282 1.00 0.00 C ATOM 324 O GLY A 418 -10.498 -2.074 2.270 1.00 0.00 O ATOM 0 H GLY A 418 -11.337 0.083 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -13.625 -1.687 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -13.144 -1.360 1.136 1.00 0.00 H new ATOM 328 N GLN A 419 -12.065 -3.684 2.395 1.00 0.00 N ATOM 329 CA GLN A 419 -11.099 -4.768 2.515 1.00 0.00 C ATOM 330 C GLN A 419 -11.595 -6.020 1.800 1.00 0.00 C ATOM 331 O GLN A 419 -12.796 -6.293 1.765 1.00 0.00 O ATOM 332 CB GLN A 419 -10.830 -5.080 3.988 1.00 0.00 C ATOM 333 CG GLN A 419 -12.060 -5.560 4.743 1.00 0.00 C ATOM 334 CD GLN A 419 -11.708 -6.350 5.988 1.00 0.00 C ATOM 335 OE1 GLN A 419 -11.737 -5.823 7.101 1.00 0.00 O ATOM 336 NE2 GLN A 419 -11.373 -7.623 5.807 1.00 0.00 N ATOM 0 H GLN A 419 -13.040 -3.984 2.406 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.170 -4.447 2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -10.053 -5.842 4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -10.441 -4.186 4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -12.669 -4.700 5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -12.668 -6.180 4.084 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -11.362 -8.019 4.867 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -11.127 -8.204 6.608 1.00 0.00 H new ATOM 345 N LYS A 420 -10.666 -6.780 1.230 1.00 0.00 N ATOM 346 CA LYS A 420 -11.011 -8.004 0.515 1.00 0.00 C ATOM 347 C LYS A 420 -10.591 -9.236 1.312 1.00 0.00 C ATOM 348 O LYS A 420 -9.716 -9.161 2.173 1.00 0.00 O ATOM 349 CB LYS A 420 -10.343 -8.022 -0.862 1.00 0.00 C ATOM 350 CG LYS A 420 -11.137 -7.288 -1.931 1.00 0.00 C ATOM 351 CD LYS A 420 -11.325 -8.141 -3.174 1.00 0.00 C ATOM 352 CE LYS A 420 -10.003 -8.402 -3.879 1.00 0.00 C ATOM 353 NZ LYS A 420 -10.143 -8.356 -5.360 1.00 0.00 N ATOM 0 H LYS A 420 -9.668 -6.570 1.249 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.093 -8.027 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -9.353 -7.572 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -10.199 -9.057 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -12.111 -7.006 -1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -10.622 -6.365 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -11.785 -9.090 -2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -12.011 -7.642 -3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -9.270 -7.661 -3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -9.620 -9.378 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -9.219 -8.539 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -10.823 -9.080 -5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -10.484 -7.417 -5.647 1.00 0.00 H new ATOM 367 N VAL A 421 -11.225 -10.366 1.018 1.00 0.00 N ATOM 368 CA VAL A 421 -10.920 -11.614 1.706 1.00 0.00 C ATOM 369 C VAL A 421 -10.545 -12.711 0.713 1.00 0.00 C ATOM 370 O VAL A 421 -11.171 -12.852 -0.336 1.00 0.00 O ATOM 371 CB VAL A 421 -12.111 -12.090 2.561 1.00 0.00 C ATOM 372 CG1 VAL A 421 -13.328 -12.358 1.688 1.00 0.00 C ATOM 373 CG2 VAL A 421 -11.737 -13.328 3.363 1.00 0.00 C ATOM 0 H VAL A 421 -11.953 -10.443 0.308 1.00 0.00 H new ATOM 0 HA VAL A 421 -10.071 -11.417 2.361 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.366 -11.296 3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -14.157 -12.693 2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.612 -11.443 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -13.089 -13.131 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -12.592 -13.647 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -11.450 -14.129 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -10.901 -13.095 4.023 1.00 0.00 H new ATOM 383 N VAL A 422 -9.519 -13.485 1.054 1.00 0.00 N ATOM 384 CA VAL A 422 -9.062 -14.569 0.193 1.00 0.00 C ATOM 385 C VAL A 422 -9.288 -15.926 0.851 1.00 0.00 C ATOM 386 O VAL A 422 -9.093 -16.082 2.057 1.00 0.00 O ATOM 387 CB VAL A 422 -7.567 -14.422 -0.149 1.00 0.00 C ATOM 388 CG1 VAL A 422 -7.156 -15.440 -1.202 1.00 0.00 C ATOM 389 CG2 VAL A 422 -7.263 -13.007 -0.620 1.00 0.00 C ATOM 0 H VAL A 422 -8.989 -13.381 1.920 1.00 0.00 H new ATOM 0 HA VAL A 422 -9.646 -14.511 -0.726 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.987 -14.613 0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -6.097 -15.320 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -7.334 -16.447 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -7.742 -15.284 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -6.202 -12.922 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -7.852 -12.785 -1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.516 -12.299 0.169 1.00 0.00 H new ATOM 399 N LYS A 423 -9.702 -16.903 0.053 1.00 0.00 N ATOM 400 CA LYS A 423 -9.957 -18.248 0.557 1.00 0.00 C ATOM 401 C LYS A 423 -8.664 -19.053 0.638 1.00 0.00 C ATOM 402 O LYS A 423 -8.229 -19.646 -0.350 1.00 0.00 O ATOM 403 CB LYS A 423 -10.967 -18.969 -0.336 1.00 0.00 C ATOM 404 CG LYS A 423 -12.398 -18.498 -0.141 1.00 0.00 C ATOM 405 CD LYS A 423 -12.689 -17.247 -0.952 1.00 0.00 C ATOM 406 CE LYS A 423 -13.926 -16.526 -0.441 1.00 0.00 C ATOM 407 NZ LYS A 423 -15.156 -16.944 -1.170 1.00 0.00 N ATOM 0 H LYS A 423 -9.869 -16.789 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 423 -10.372 -18.159 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -10.685 -18.825 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -10.916 -20.039 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -13.086 -19.291 -0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -12.575 -18.297 0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -11.831 -16.576 -0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -12.830 -17.516 -1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -14.049 -16.727 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -13.789 -15.450 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -15.976 -16.429 -0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -15.050 -16.729 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -15.302 -17.966 -1.047 1.00 0.00 H new ATOM 421 N GLY A 424 -8.056 -19.072 1.819 1.00 0.00 N ATOM 422 CA GLY A 424 -6.818 -19.807 2.005 1.00 0.00 C ATOM 423 C GLY A 424 -5.753 -18.985 2.701 1.00 0.00 C ATOM 424 O GLY A 424 -4.969 -19.512 3.489 1.00 0.00 O ATOM 0 H GLY A 424 -8.398 -18.592 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -7.017 -20.706 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -6.444 -20.133 1.035 1.00 0.00 H new ATOM 428 N ASN A 425 -5.723 -17.689 2.408 1.00 0.00 N ATOM 429 CA ASN A 425 -4.744 -16.791 3.011 1.00 0.00 C ATOM 430 C ASN A 425 -5.140 -16.439 4.445 1.00 0.00 C ATOM 431 O ASN A 425 -6.221 -15.901 4.681 1.00 0.00 O ATOM 432 CB ASN A 425 -4.613 -15.516 2.178 1.00 0.00 C ATOM 433 CG ASN A 425 -4.081 -15.786 0.785 1.00 0.00 C ATOM 434 OD1 ASN A 425 -3.914 -16.938 0.386 1.00 0.00 O ATOM 435 ND2 ASN A 425 -3.813 -14.722 0.037 1.00 0.00 N ATOM 0 H ASN A 425 -6.365 -17.237 1.757 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.782 -17.302 3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -5.587 -15.032 2.104 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.949 -14.819 2.689 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -3.453 -14.842 -0.910 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.967 -13.785 0.409 1.00 0.00 H new ATOM 442 N PRO A 426 -4.267 -16.738 5.426 1.00 0.00 N ATOM 443 CA PRO A 426 -4.541 -16.445 6.838 1.00 0.00 C ATOM 444 C PRO A 426 -4.462 -14.954 7.155 1.00 0.00 C ATOM 445 O PRO A 426 -4.899 -14.514 8.218 1.00 0.00 O ATOM 446 CB PRO A 426 -3.439 -17.205 7.576 1.00 0.00 C ATOM 447 CG PRO A 426 -2.316 -17.279 6.600 1.00 0.00 C ATOM 448 CD PRO A 426 -2.951 -17.381 5.243 1.00 0.00 C ATOM 0 HA PRO A 426 -5.551 -16.740 7.124 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -3.140 -16.685 8.486 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -3.773 -18.199 7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -1.681 -16.395 6.668 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -1.682 -18.143 6.800 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.358 -16.871 4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -3.053 -18.419 4.925 1.00 0.00 H new ATOM 456 N TYR A 427 -3.902 -14.180 6.228 1.00 0.00 N ATOM 457 CA TYR A 427 -3.768 -12.739 6.416 1.00 0.00 C ATOM 458 C TYR A 427 -4.657 -11.975 5.437 1.00 0.00 C ATOM 459 O TYR A 427 -4.235 -11.654 4.326 1.00 0.00 O ATOM 460 CB TYR A 427 -2.310 -12.315 6.236 1.00 0.00 C ATOM 461 CG TYR A 427 -1.357 -12.994 7.194 1.00 0.00 C ATOM 462 CD1 TYR A 427 -1.444 -12.777 8.563 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.368 -13.852 6.727 1.00 0.00 C ATOM 464 CE1 TYR A 427 -0.575 -13.396 9.440 1.00 0.00 C ATOM 465 CE2 TYR A 427 0.504 -14.476 7.598 1.00 0.00 C ATOM 466 CZ TYR A 427 0.397 -14.245 8.954 1.00 0.00 C ATOM 467 OH TYR A 427 1.265 -14.863 9.825 1.00 0.00 O ATOM 0 H TYR A 427 -3.535 -14.526 5.342 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.088 -12.499 7.430 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.001 -12.534 5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -2.236 -11.236 6.368 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -2.204 -12.113 8.948 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.280 -14.034 5.666 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -0.656 -13.216 10.502 1.00 0.00 H new ATOM 0 HE2 TYR A 427 1.266 -15.141 7.219 1.00 0.00 H new ATOM 0 HH TYR A 427 1.887 -15.428 9.321 1.00 0.00 H new ATOM 477 N PRO A 428 -5.905 -11.671 5.837 1.00 0.00 N ATOM 478 CA PRO A 428 -6.849 -10.940 4.985 1.00 0.00 C ATOM 479 C PRO A 428 -6.253 -9.650 4.434 1.00 0.00 C ATOM 480 O PRO A 428 -5.383 -9.042 5.055 1.00 0.00 O ATOM 481 CB PRO A 428 -8.014 -10.630 5.930 1.00 0.00 C ATOM 482 CG PRO A 428 -7.948 -11.692 6.973 1.00 0.00 C ATOM 483 CD PRO A 428 -6.491 -12.015 7.146 1.00 0.00 C ATOM 0 HA PRO A 428 -7.137 -11.518 4.107 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -7.914 -9.637 6.369 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -8.968 -10.651 5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -8.385 -11.346 7.910 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.509 -12.575 6.667 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -6.044 -11.433 7.952 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -6.339 -13.066 7.390 1.00 0.00 H new ATOM 491 N ARG A 429 -6.729 -9.238 3.263 1.00 0.00 N ATOM 492 CA ARG A 429 -6.244 -8.019 2.627 1.00 0.00 C ATOM 493 C ARG A 429 -7.007 -6.798 3.131 1.00 0.00 C ATOM 494 O ARG A 429 -8.153 -6.908 3.567 1.00 0.00 O ATOM 495 CB ARG A 429 -6.376 -8.125 1.106 1.00 0.00 C ATOM 496 CG ARG A 429 -5.175 -8.772 0.435 1.00 0.00 C ATOM 497 CD ARG A 429 -5.545 -9.367 -0.913 1.00 0.00 C ATOM 498 NE ARG A 429 -4.547 -10.327 -1.382 1.00 0.00 N ATOM 499 CZ ARG A 429 -4.453 -10.743 -2.643 1.00 0.00 C ATOM 500 NH1 ARG A 429 -5.292 -10.287 -3.563 1.00 0.00 N ATOM 501 NH2 ARG A 429 -3.516 -11.617 -2.983 1.00 0.00 N ATOM 0 H ARG A 429 -7.450 -9.731 2.736 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.192 -7.899 2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -7.270 -8.701 0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -6.519 -7.127 0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -4.387 -8.030 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -4.773 -9.553 1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.514 -9.860 -0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -5.650 -8.567 -1.646 1.00 0.00 H new ATOM 0 HE ARG A 429 -3.884 -10.700 -0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -6.014 -9.614 -3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -5.215 -10.609 -4.528 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -2.868 -11.970 -2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -3.443 -11.937 -3.949 1.00 0.00 H new ATOM 515 N SER A 430 -6.365 -5.637 3.067 1.00 0.00 N ATOM 516 CA SER A 430 -6.983 -4.394 3.516 1.00 0.00 C ATOM 517 C SER A 430 -6.552 -3.224 2.638 1.00 0.00 C ATOM 518 O SER A 430 -5.516 -3.281 1.976 1.00 0.00 O ATOM 519 CB SER A 430 -6.615 -4.116 4.975 1.00 0.00 C ATOM 520 OG SER A 430 -7.142 -5.112 5.833 1.00 0.00 O ATOM 0 H SER A 430 -5.416 -5.530 2.708 1.00 0.00 H new ATOM 0 HA SER A 430 -8.064 -4.505 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.531 -4.079 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 430 -6.997 -3.139 5.270 1.00 0.00 H new ATOM 0 HG SER A 430 -6.891 -4.912 6.759 1.00 0.00 H new ATOM 526 N TYR A 431 -7.354 -2.164 2.636 1.00 0.00 N ATOM 527 CA TYR A 431 -7.053 -0.982 1.837 1.00 0.00 C ATOM 528 C TYR A 431 -7.335 0.295 2.622 1.00 0.00 C ATOM 529 O TYR A 431 -8.459 0.525 3.069 1.00 0.00 O ATOM 530 CB TYR A 431 -7.874 -0.991 0.546 1.00 0.00 C ATOM 531 CG TYR A 431 -7.844 -2.315 -0.181 1.00 0.00 C ATOM 532 CD1 TYR A 431 -6.639 -2.930 -0.499 1.00 0.00 C ATOM 533 CD2 TYR A 431 -9.023 -2.954 -0.550 1.00 0.00 C ATOM 534 CE1 TYR A 431 -6.609 -4.140 -1.163 1.00 0.00 C ATOM 535 CE2 TYR A 431 -9.001 -4.164 -1.214 1.00 0.00 C ATOM 536 CZ TYR A 431 -7.791 -4.754 -1.518 1.00 0.00 C ATOM 537 OH TYR A 431 -7.764 -5.960 -2.180 1.00 0.00 O ATOM 0 H TYR A 431 -8.216 -2.100 3.178 1.00 0.00 H new ATOM 0 HA TYR A 431 -5.992 -1.006 1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -8.908 -0.739 0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -7.499 -0.213 -0.119 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -5.710 -2.453 -0.222 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -9.972 -2.496 -0.313 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -5.664 -4.604 -1.403 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -9.926 -4.646 -1.494 1.00 0.00 H new ATOM 0 HH TYR A 431 -6.963 -6.460 -1.917 1.00 0.00 H new ATOM 547 N TYR A 432 -6.308 1.124 2.782 1.00 0.00 N ATOM 548 CA TYR A 432 -6.446 2.382 3.508 1.00 0.00 C ATOM 549 C TYR A 432 -6.303 3.568 2.561 1.00 0.00 C ATOM 550 O TYR A 432 -6.139 3.393 1.354 1.00 0.00 O ATOM 551 CB TYR A 432 -5.399 2.469 4.620 1.00 0.00 C ATOM 552 CG TYR A 432 -5.440 1.306 5.585 1.00 0.00 C ATOM 553 CD1 TYR A 432 -6.238 1.350 6.721 1.00 0.00 C ATOM 554 CD2 TYR A 432 -4.682 0.163 5.359 1.00 0.00 C ATOM 555 CE1 TYR A 432 -6.279 0.288 7.606 1.00 0.00 C ATOM 556 CE2 TYR A 432 -4.719 -0.902 6.238 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.519 -0.835 7.359 1.00 0.00 C ATOM 558 OH TYR A 432 -5.558 -1.895 8.237 1.00 0.00 O ATOM 0 H TYR A 432 -5.371 0.947 2.419 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.440 2.413 3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.408 2.522 4.170 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.547 3.396 5.175 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -6.836 2.228 6.916 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -4.054 0.107 4.482 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -6.903 0.338 8.486 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -4.124 -1.783 6.048 1.00 0.00 H new ATOM 0 HH TYR A 432 -4.966 -2.607 7.917 1.00 0.00 H new ATOM 568 N LYS A 433 -6.367 4.775 3.113 1.00 0.00 N ATOM 569 CA LYS A 433 -6.245 5.986 2.310 1.00 0.00 C ATOM 570 C LYS A 433 -6.101 7.221 3.195 1.00 0.00 C ATOM 571 O LYS A 433 -6.857 7.407 4.148 1.00 0.00 O ATOM 572 CB LYS A 433 -7.461 6.140 1.396 1.00 0.00 C ATOM 573 CG LYS A 433 -8.766 6.344 2.148 1.00 0.00 C ATOM 574 CD LYS A 433 -9.105 7.821 2.289 1.00 0.00 C ATOM 575 CE LYS A 433 -10.447 8.150 1.652 1.00 0.00 C ATOM 576 NZ LYS A 433 -10.469 7.820 0.201 1.00 0.00 N ATOM 0 H LYS A 433 -6.502 4.941 4.110 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.346 5.895 1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.299 6.987 0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.548 5.253 0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.573 5.833 1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.692 5.891 3.137 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -9.127 8.091 3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -8.323 8.421 1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -11.236 7.597 2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -10.662 9.210 1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -11.166 8.423 -0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -9.527 7.985 -0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -10.730 6.821 0.076 1.00 0.00 H new ATOM 590 N CYS A 434 -5.128 8.065 2.866 1.00 0.00 N ATOM 591 CA CYS A 434 -4.885 9.286 3.624 1.00 0.00 C ATOM 592 C CYS A 434 -6.010 10.291 3.397 1.00 0.00 C ATOM 593 O CYS A 434 -6.068 10.950 2.359 1.00 0.00 O ATOM 594 CB CYS A 434 -3.543 9.899 3.220 1.00 0.00 C ATOM 595 SG CYS A 434 -2.963 11.206 4.326 1.00 0.00 S ATOM 0 H CYS A 434 -4.495 7.925 2.079 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.854 9.034 4.684 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.792 9.110 3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.630 10.304 2.212 1.00 0.00 H new ATOM 600 N THR A 435 -6.908 10.397 4.374 1.00 0.00 N ATOM 601 CA THR A 435 -8.037 11.316 4.277 1.00 0.00 C ATOM 602 C THR A 435 -7.764 12.620 5.023 1.00 0.00 C ATOM 603 O THR A 435 -8.365 12.890 6.063 1.00 0.00 O ATOM 604 CB THR A 435 -9.325 10.678 4.831 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.363 11.662 4.915 1.00 0.00 O ATOM 606 CG2 THR A 435 -9.081 10.073 6.206 1.00 0.00 C ATOM 0 H THR A 435 -6.875 9.859 5.240 1.00 0.00 H new ATOM 0 HA THR A 435 -8.172 11.536 3.218 1.00 0.00 H new ATOM 0 HB THR A 435 -9.632 9.884 4.151 1.00 0.00 H new ATOM 0 HG1 THR A 435 -10.106 12.355 5.559 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.004 9.628 6.577 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.312 9.304 6.134 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.752 10.852 6.893 1.00 0.00 H new ATOM 614 N THR A 436 -6.858 13.427 4.481 1.00 0.00 N ATOM 615 CA THR A 436 -6.512 14.705 5.090 1.00 0.00 C ATOM 616 C THR A 436 -7.229 15.853 4.380 1.00 0.00 C ATOM 617 O THR A 436 -7.532 15.761 3.191 1.00 0.00 O ATOM 618 CB THR A 436 -4.991 14.955 5.054 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.303 13.744 4.718 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.491 15.466 6.397 1.00 0.00 C ATOM 0 H THR A 436 -6.350 13.218 3.621 1.00 0.00 H new ATOM 0 HA THR A 436 -6.834 14.663 6.131 1.00 0.00 H new ATOM 0 HB THR A 436 -4.791 15.713 4.296 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.367 13.946 4.512 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.415 15.634 6.345 1.00 0.00 H new ATOM 0 HG22 THR A 436 -4.993 16.402 6.640 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.706 14.728 7.170 1.00 0.00 H new ATOM 628 N PRO A 437 -7.514 16.954 5.099 1.00 0.00 N ATOM 629 CA PRO A 437 -8.200 18.115 4.522 1.00 0.00 C ATOM 630 C PRO A 437 -7.578 18.560 3.202 1.00 0.00 C ATOM 631 O PRO A 437 -6.627 19.341 3.185 1.00 0.00 O ATOM 632 CB PRO A 437 -8.023 19.194 5.592 1.00 0.00 C ATOM 633 CG PRO A 437 -7.903 18.437 6.868 1.00 0.00 C ATOM 634 CD PRO A 437 -7.191 17.155 6.525 1.00 0.00 C ATOM 0 HA PRO A 437 -9.241 17.899 4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -7.135 19.798 5.404 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.873 19.875 5.613 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -7.343 19.008 7.609 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -8.885 18.235 7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -6.116 17.237 6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -7.542 16.324 7.137 1.00 0.00 H new ATOM 642 N GLY A 438 -8.124 18.056 2.100 1.00 0.00 N ATOM 643 CA GLY A 438 -7.610 18.409 0.789 1.00 0.00 C ATOM 644 C GLY A 438 -6.806 17.288 0.160 1.00 0.00 C ATOM 645 O GLY A 438 -6.678 17.217 -1.061 1.00 0.00 O ATOM 0 H GLY A 438 -8.913 17.410 2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -8.442 18.667 0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.984 19.297 0.875 1.00 0.00 H new ATOM 649 N CYS A 439 -6.263 16.410 0.998 1.00 0.00 N ATOM 650 CA CYS A 439 -5.465 15.287 0.521 1.00 0.00 C ATOM 651 C CYS A 439 -6.314 14.022 0.418 1.00 0.00 C ATOM 652 O CYS A 439 -7.105 13.719 1.311 1.00 0.00 O ATOM 653 CB CYS A 439 -4.278 15.050 1.457 1.00 0.00 C ATOM 654 SG CYS A 439 -3.279 13.598 1.049 1.00 0.00 S ATOM 0 H CYS A 439 -6.362 16.455 2.012 1.00 0.00 H new ATOM 0 HA CYS A 439 -5.091 15.530 -0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.638 15.932 1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.650 14.944 2.476 1.00 0.00 H new ATOM 659 N GLY A 440 -6.141 13.289 -0.677 1.00 0.00 N ATOM 660 CA GLY A 440 -6.893 12.065 -0.880 1.00 0.00 C ATOM 661 C GLY A 440 -6.039 10.952 -1.455 1.00 0.00 C ATOM 662 O GLY A 440 -6.296 10.469 -2.557 1.00 0.00 O ATOM 0 H GLY A 440 -5.492 13.522 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.317 11.740 0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.729 12.262 -1.551 1.00 0.00 H new ATOM 666 N VAL A 441 -5.016 10.550 -0.708 1.00 0.00 N ATOM 667 CA VAL A 441 -4.115 9.491 -1.148 1.00 0.00 C ATOM 668 C VAL A 441 -4.664 8.115 -0.792 1.00 0.00 C ATOM 669 O VAL A 441 -5.232 7.920 0.283 1.00 0.00 O ATOM 670 CB VAL A 441 -2.714 9.651 -0.524 1.00 0.00 C ATOM 671 CG1 VAL A 441 -1.736 8.660 -1.137 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.213 11.078 -0.690 1.00 0.00 C ATOM 0 H VAL A 441 -4.790 10.942 0.206 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.035 9.575 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.788 9.438 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -0.754 8.790 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.087 7.644 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -1.665 8.835 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.223 11.170 -0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.157 11.323 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.900 11.765 -0.195 1.00 0.00 H new ATOM 682 N ARG A 442 -4.488 7.159 -1.700 1.00 0.00 N ATOM 683 CA ARG A 442 -4.962 5.798 -1.482 1.00 0.00 C ATOM 684 C ARG A 442 -3.796 4.815 -1.450 1.00 0.00 C ATOM 685 O ARG A 442 -2.810 4.985 -2.167 1.00 0.00 O ATOM 686 CB ARG A 442 -5.950 5.397 -2.580 1.00 0.00 C ATOM 687 CG ARG A 442 -7.052 6.419 -2.810 1.00 0.00 C ATOM 688 CD ARG A 442 -8.323 6.041 -2.066 1.00 0.00 C ATOM 689 NE ARG A 442 -8.843 4.744 -2.492 1.00 0.00 N ATOM 690 CZ ARG A 442 -9.555 4.559 -3.602 1.00 0.00 C ATOM 691 NH1 ARG A 442 -9.834 5.582 -4.399 1.00 0.00 N ATOM 692 NH2 ARG A 442 -9.990 3.346 -3.915 1.00 0.00 N ATOM 0 H ARG A 442 -4.020 7.303 -2.595 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.468 5.767 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.404 5.248 -3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.402 4.440 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -6.714 7.401 -2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.262 6.496 -3.877 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.122 6.017 -0.995 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -9.081 6.807 -2.231 1.00 0.00 H new ATOM 0 HE ARG A 442 -8.649 3.933 -1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -9.503 6.517 -4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -10.380 5.433 -5.248 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -9.779 2.556 -3.306 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -10.535 3.203 -4.765 1.00 0.00 H new ATOM 706 N LYS A 443 -3.914 3.790 -0.612 1.00 0.00 N ATOM 707 CA LYS A 443 -2.867 2.782 -0.487 1.00 0.00 C ATOM 708 C LYS A 443 -3.467 1.392 -0.298 1.00 0.00 C ATOM 709 O LYS A 443 -4.489 1.231 0.367 1.00 0.00 O ATOM 710 CB LYS A 443 -1.947 3.117 0.688 1.00 0.00 C ATOM 711 CG LYS A 443 -2.642 3.062 2.039 1.00 0.00 C ATOM 712 CD LYS A 443 -1.646 3.167 3.186 1.00 0.00 C ATOM 713 CE LYS A 443 -1.754 1.979 4.131 1.00 0.00 C ATOM 714 NZ LYS A 443 -1.671 2.396 5.559 1.00 0.00 N ATOM 0 H LYS A 443 -4.723 3.636 -0.010 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.285 2.783 -1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -1.108 2.421 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.533 4.115 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.366 3.874 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -3.199 2.129 2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.634 3.224 2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.822 4.090 3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.698 1.462 3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -0.957 1.268 3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -1.749 1.558 6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -0.760 2.867 5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -2.447 3.054 5.774 1.00 0.00 H new ATOM 728 N HIS A 444 -2.823 0.392 -0.892 1.00 0.00 N ATOM 729 CA HIS A 444 -3.291 -0.986 -0.789 1.00 0.00 C ATOM 730 C HIS A 444 -2.333 -1.822 0.055 1.00 0.00 C ATOM 731 O HIS A 444 -1.128 -1.573 0.075 1.00 0.00 O ATOM 732 CB HIS A 444 -3.433 -1.604 -2.181 1.00 0.00 C ATOM 733 CG HIS A 444 -4.331 -0.825 -3.093 1.00 0.00 C ATOM 734 ND1 HIS A 444 -5.679 -0.817 -3.213 1.00 0.00 N flip ATOM 735 CD2 HIS A 444 -3.859 0.075 -4.025 1.00 0.00 C flip ATOM 736 CE1 HIS A 444 -5.993 0.080 -4.205 1.00 0.00 C flip ATOM 737 NE2 HIS A 444 -4.878 0.604 -4.678 1.00 0.00 N flip ATOM 0 H HIS A 444 -1.977 0.510 -1.449 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.266 -0.978 -0.302 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.446 -1.683 -2.637 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -3.821 -2.618 -2.082 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -2.819 0.311 -4.195 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -6.991 0.318 -4.543 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -4.814 1.299 -5.422 1.00 0.00 H new ATOM 746 N VAL A 445 -2.877 -2.815 0.749 1.00 0.00 N ATOM 747 CA VAL A 445 -2.071 -3.687 1.595 1.00 0.00 C ATOM 748 C VAL A 445 -2.319 -5.155 1.264 1.00 0.00 C ATOM 749 O VAL A 445 -3.331 -5.729 1.666 1.00 0.00 O ATOM 750 CB VAL A 445 -2.365 -3.451 3.090 1.00 0.00 C ATOM 751 CG1 VAL A 445 -1.406 -4.254 3.956 1.00 0.00 C ATOM 752 CG2 VAL A 445 -2.285 -1.970 3.425 1.00 0.00 C ATOM 0 H VAL A 445 -3.873 -3.036 0.743 1.00 0.00 H new ATOM 0 HA VAL A 445 -1.027 -3.444 1.396 1.00 0.00 H new ATOM 0 HB VAL A 445 -3.379 -3.791 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -1.629 -4.075 5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.520 -5.316 3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.381 -3.948 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -2.496 -1.825 4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.285 -1.600 3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -3.017 -1.423 2.831 1.00 0.00 H new ATOM 762 N GLU A 446 -1.387 -5.757 0.533 1.00 0.00 N ATOM 763 CA GLU A 446 -1.502 -7.159 0.149 1.00 0.00 C ATOM 764 C GLU A 446 -0.425 -7.998 0.830 1.00 0.00 C ATOM 765 O GLU A 446 0.764 -7.838 0.558 1.00 0.00 O ATOM 766 CB GLU A 446 -1.396 -7.304 -1.371 1.00 0.00 C ATOM 767 CG GLU A 446 -2.741 -7.314 -2.077 1.00 0.00 C ATOM 768 CD GLU A 446 -2.746 -6.467 -3.336 1.00 0.00 C ATOM 769 OE1 GLU A 446 -2.431 -5.261 -3.242 1.00 0.00 O ATOM 770 OE2 GLU A 446 -3.062 -7.011 -4.415 1.00 0.00 O ATOM 0 H GLU A 446 -0.543 -5.295 0.194 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.478 -7.521 0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -0.795 -6.484 -1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -0.866 -8.228 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -3.005 -8.340 -2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -3.508 -6.948 -1.394 1.00 0.00 H new ATOM 777 N ARG A 447 -0.852 -8.891 1.717 1.00 0.00 N ATOM 778 CA ARG A 447 0.076 -9.755 2.438 1.00 0.00 C ATOM 779 C ARG A 447 0.280 -11.073 1.698 1.00 0.00 C ATOM 780 O ARG A 447 -0.616 -11.914 1.650 1.00 0.00 O ATOM 781 CB ARG A 447 -0.440 -10.022 3.855 1.00 0.00 C ATOM 782 CG ARG A 447 0.318 -9.257 4.930 1.00 0.00 C ATOM 783 CD ARG A 447 -0.626 -8.473 5.829 1.00 0.00 C ATOM 784 NE ARG A 447 0.022 -7.299 6.408 1.00 0.00 N ATOM 785 CZ ARG A 447 -0.641 -6.265 6.924 1.00 0.00 C ATOM 786 NH1 ARG A 447 -1.968 -6.259 6.938 1.00 0.00 N ATOM 787 NH2 ARG A 447 0.026 -5.237 7.431 1.00 0.00 N ATOM 0 H ARG A 447 -1.834 -9.035 1.954 1.00 0.00 H new ATOM 0 HA ARG A 447 1.037 -9.244 2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.495 -9.754 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -0.372 -11.090 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 447 0.900 -9.955 5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 447 1.026 -8.574 4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -1.498 -8.160 5.255 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.987 -9.120 6.629 1.00 0.00 H new ATOM 0 HE ARG A 447 1.042 -7.269 6.418 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -2.486 -7.049 6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -2.470 -5.465 7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 447 1.046 -5.238 7.426 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -0.481 -4.445 7.826 1.00 0.00 H new ATOM 801 N ALA A 448 1.467 -11.246 1.124 1.00 0.00 N ATOM 802 CA ALA A 448 1.789 -12.463 0.389 1.00 0.00 C ATOM 803 C ALA A 448 1.959 -13.646 1.336 1.00 0.00 C ATOM 804 O ALA A 448 2.900 -13.689 2.130 1.00 0.00 O ATOM 805 CB ALA A 448 3.047 -12.262 -0.442 1.00 0.00 C ATOM 0 H ALA A 448 2.220 -10.559 1.154 1.00 0.00 H new ATOM 0 HA ALA A 448 0.958 -12.684 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 448 3.275 -13.179 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 448 2.888 -11.450 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 448 3.881 -12.013 0.214 1.00 0.00 H new ATOM 811 N ALA A 449 1.041 -14.604 1.248 1.00 0.00 N ATOM 812 CA ALA A 449 1.086 -15.787 2.098 1.00 0.00 C ATOM 813 C ALA A 449 2.022 -16.844 1.523 1.00 0.00 C ATOM 814 O ALA A 449 2.635 -17.612 2.264 1.00 0.00 O ATOM 815 CB ALA A 449 -0.311 -16.360 2.277 1.00 0.00 C ATOM 0 H ALA A 449 0.257 -14.583 0.596 1.00 0.00 H new ATOM 0 HA ALA A 449 1.474 -15.488 3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 449 -0.263 -17.243 2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.954 -15.612 2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.719 -16.636 1.304 1.00 0.00 H new ATOM 821 N THR A 450 2.129 -16.881 0.198 1.00 0.00 N ATOM 822 CA THR A 450 2.992 -17.847 -0.472 1.00 0.00 C ATOM 823 C THR A 450 4.427 -17.761 0.044 1.00 0.00 C ATOM 824 O THR A 450 5.186 -18.725 -0.044 1.00 0.00 O ATOM 825 CB THR A 450 2.992 -17.645 -2.000 1.00 0.00 C ATOM 826 OG1 THR A 450 3.917 -18.552 -2.614 1.00 0.00 O ATOM 827 CG2 THR A 450 3.365 -16.215 -2.363 1.00 0.00 C ATOM 0 H THR A 450 1.629 -16.254 -0.432 1.00 0.00 H new ATOM 0 HA THR A 450 2.588 -18.834 -0.247 1.00 0.00 H new ATOM 0 HB THR A 450 1.985 -17.844 -2.367 1.00 0.00 H new ATOM 0 HG1 THR A 450 3.910 -18.419 -3.585 1.00 0.00 H new ATOM 0 HG21 THR A 450 3.357 -16.101 -3.447 1.00 0.00 H new ATOM 0 HG22 THR A 450 2.644 -15.527 -1.921 1.00 0.00 H new ATOM 0 HG23 THR A 450 4.361 -15.991 -1.982 1.00 0.00 H new ATOM 835 N ASP A 451 4.790 -16.602 0.588 1.00 0.00 N ATOM 836 CA ASP A 451 6.131 -16.396 1.121 1.00 0.00 C ATOM 837 C ASP A 451 6.132 -16.536 2.641 1.00 0.00 C ATOM 838 O ASP A 451 5.082 -16.465 3.280 1.00 0.00 O ATOM 839 CB ASP A 451 6.656 -15.014 0.720 1.00 0.00 C ATOM 840 CG ASP A 451 7.999 -15.087 0.022 1.00 0.00 C ATOM 841 OD1 ASP A 451 8.277 -16.119 -0.625 1.00 0.00 O ATOM 842 OD2 ASP A 451 8.773 -14.112 0.121 1.00 0.00 O ATOM 0 H ASP A 451 4.174 -15.793 0.671 1.00 0.00 H new ATOM 0 HA ASP A 451 6.788 -17.158 0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 451 5.934 -14.531 0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 451 6.745 -14.390 1.609 1.00 0.00 H new ATOM 847 N PRO A 452 7.317 -16.734 3.246 1.00 0.00 N ATOM 848 CA PRO A 452 7.444 -16.881 4.700 1.00 0.00 C ATOM 849 C PRO A 452 6.765 -15.743 5.453 1.00 0.00 C ATOM 850 O PRO A 452 6.231 -15.937 6.544 1.00 0.00 O ATOM 851 CB PRO A 452 8.956 -16.849 4.930 1.00 0.00 C ATOM 852 CG PRO A 452 9.546 -17.316 3.644 1.00 0.00 C ATOM 853 CD PRO A 452 8.621 -16.829 2.563 1.00 0.00 C ATOM 0 HA PRO A 452 6.966 -17.791 5.063 1.00 0.00 H new ATOM 0 HB2 PRO A 452 9.297 -15.844 5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.244 -17.498 5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.551 -16.916 3.507 1.00 0.00 H new ATOM 0 HG3 PRO A 452 9.630 -18.403 3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 452 8.938 -15.864 2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 452 8.585 -17.522 1.723 1.00 0.00 H new ATOM 861 N LYS A 453 6.788 -14.552 4.859 1.00 0.00 N ATOM 862 CA LYS A 453 6.174 -13.378 5.468 1.00 0.00 C ATOM 863 C LYS A 453 6.349 -12.152 4.575 1.00 0.00 C ATOM 864 O LYS A 453 7.181 -11.285 4.848 1.00 0.00 O ATOM 865 CB LYS A 453 6.783 -13.110 6.846 1.00 0.00 C ATOM 866 CG LYS A 453 5.784 -12.571 7.858 1.00 0.00 C ATOM 867 CD LYS A 453 6.466 -12.169 9.155 1.00 0.00 C ATOM 868 CE LYS A 453 6.660 -10.664 9.241 1.00 0.00 C ATOM 869 NZ LYS A 453 7.875 -10.216 8.505 1.00 0.00 N ATOM 0 H LYS A 453 7.226 -14.376 3.955 1.00 0.00 H new ATOM 0 HA LYS A 453 5.108 -13.575 5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 453 7.214 -14.035 7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.601 -12.397 6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.266 -11.710 7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 453 5.028 -13.329 8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 453 5.869 -12.509 10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 453 7.433 -12.666 9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.783 -10.161 8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 453 6.740 -10.368 10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 8.037 -9.205 8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 8.698 -10.762 8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 7.739 -10.368 7.485 1.00 0.00 H new ATOM 883 N ALA A 454 5.564 -12.088 3.504 1.00 0.00 N ATOM 884 CA ALA A 454 5.637 -10.969 2.572 1.00 0.00 C ATOM 885 C ALA A 454 4.455 -10.023 2.752 1.00 0.00 C ATOM 886 O ALA A 454 3.311 -10.460 2.891 1.00 0.00 O ATOM 887 CB ALA A 454 5.697 -11.482 1.140 1.00 0.00 C ATOM 0 H ALA A 454 4.872 -12.796 3.261 1.00 0.00 H new ATOM 0 HA ALA A 454 6.547 -10.408 2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 454 5.751 -10.638 0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 454 6.580 -12.109 1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 454 4.803 -12.067 0.925 1.00 0.00 H new ATOM 893 N VAL A 455 4.738 -8.725 2.752 1.00 0.00 N ATOM 894 CA VAL A 455 3.700 -7.715 2.915 1.00 0.00 C ATOM 895 C VAL A 455 3.873 -6.582 1.910 1.00 0.00 C ATOM 896 O VAL A 455 4.467 -5.549 2.219 1.00 0.00 O ATOM 897 CB VAL A 455 3.708 -7.128 4.339 1.00 0.00 C ATOM 898 CG1 VAL A 455 2.515 -6.204 4.543 1.00 0.00 C ATOM 899 CG2 VAL A 455 3.713 -8.240 5.376 1.00 0.00 C ATOM 0 H VAL A 455 5.679 -8.348 2.641 1.00 0.00 H new ATOM 0 HA VAL A 455 2.745 -8.211 2.739 1.00 0.00 H new ATOM 0 HB VAL A 455 4.618 -6.542 4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 455 2.537 -5.799 5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 455 2.561 -5.386 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 455 1.592 -6.764 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 455 3.719 -7.805 6.376 1.00 0.00 H new ATOM 0 HG22 VAL A 455 2.822 -8.856 5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 455 4.602 -8.857 5.244 1.00 0.00 H new ATOM 909 N VAL A 456 3.350 -6.783 0.704 1.00 0.00 N ATOM 910 CA VAL A 456 3.446 -5.778 -0.347 1.00 0.00 C ATOM 911 C VAL A 456 2.437 -4.655 -0.127 1.00 0.00 C ATOM 912 O VAL A 456 1.325 -4.890 0.344 1.00 0.00 O ATOM 913 CB VAL A 456 3.220 -6.399 -1.742 1.00 0.00 C ATOM 914 CG1 VAL A 456 1.835 -7.024 -1.833 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.418 -5.358 -2.832 1.00 0.00 C ATOM 0 H VAL A 456 2.856 -7.633 0.431 1.00 0.00 H new ATOM 0 HA VAL A 456 4.455 -5.367 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 456 3.958 -7.187 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.695 -7.456 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.738 -7.805 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.078 -6.258 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 456 3.254 -5.817 -3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.708 -4.543 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.434 -4.967 -2.781 1.00 0.00 H new ATOM 925 N THR A 457 2.834 -3.434 -0.472 1.00 0.00 N ATOM 926 CA THR A 457 1.964 -2.274 -0.314 1.00 0.00 C ATOM 927 C THR A 457 2.157 -1.281 -1.455 1.00 0.00 C ATOM 928 O THR A 457 3.282 -0.895 -1.771 1.00 0.00 O ATOM 929 CB THR A 457 2.223 -1.558 1.024 1.00 0.00 C ATOM 930 OG1 THR A 457 2.211 -2.505 2.100 1.00 0.00 O ATOM 931 CG2 THR A 457 1.174 -0.485 1.276 1.00 0.00 C ATOM 0 H THR A 457 3.752 -3.222 -0.863 1.00 0.00 H new ATOM 0 HA THR A 457 0.939 -2.643 -0.328 1.00 0.00 H new ATOM 0 HB THR A 457 3.202 -1.082 0.971 1.00 0.00 H new ATOM 0 HG1 THR A 457 2.378 -2.040 2.947 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.378 0.007 2.227 1.00 0.00 H new ATOM 0 HG22 THR A 457 1.206 0.251 0.473 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.186 -0.943 1.309 1.00 0.00 H new ATOM 939 N THR A 458 1.052 -0.872 -2.069 1.00 0.00 N ATOM 940 CA THR A 458 1.100 0.076 -3.174 1.00 0.00 C ATOM 941 C THR A 458 0.650 1.463 -2.729 1.00 0.00 C ATOM 942 O THR A 458 -0.212 1.597 -1.859 1.00 0.00 O ATOM 943 CB THR A 458 0.216 -0.385 -4.348 1.00 0.00 C ATOM 944 OG1 THR A 458 0.514 -1.745 -4.683 1.00 0.00 O ATOM 945 CG2 THR A 458 0.429 0.501 -5.566 1.00 0.00 C ATOM 0 H THR A 458 0.113 -1.182 -1.820 1.00 0.00 H new ATOM 0 HA THR A 458 2.137 0.122 -3.505 1.00 0.00 H new ATOM 0 HB THR A 458 -0.827 -0.308 -4.040 1.00 0.00 H new ATOM 0 HG1 THR A 458 -0.054 -2.030 -5.429 1.00 0.00 H new ATOM 0 HG21 THR A 458 -0.206 0.156 -6.382 1.00 0.00 H new ATOM 0 HG22 THR A 458 0.172 1.530 -5.316 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.474 0.452 -5.873 1.00 0.00 H new ATOM 953 N TYR A 459 1.239 2.492 -3.329 1.00 0.00 N ATOM 954 CA TYR A 459 0.898 3.870 -2.995 1.00 0.00 C ATOM 955 C TYR A 459 0.391 4.619 -4.222 1.00 0.00 C ATOM 956 O TYR A 459 1.037 4.623 -5.271 1.00 0.00 O ATOM 957 CB TYR A 459 2.116 4.591 -2.411 1.00 0.00 C ATOM 958 CG TYR A 459 2.297 4.370 -0.926 1.00 0.00 C ATOM 959 CD1 TYR A 459 2.947 3.242 -0.445 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.815 5.293 -0.005 1.00 0.00 C ATOM 961 CE1 TYR A 459 3.113 3.037 0.911 1.00 0.00 C ATOM 962 CE2 TYR A 459 1.978 5.095 1.354 1.00 0.00 C ATOM 963 CZ TYR A 459 2.626 3.967 1.807 1.00 0.00 C ATOM 964 OH TYR A 459 2.790 3.767 3.158 1.00 0.00 O ATOM 0 H TYR A 459 1.955 2.398 -4.049 1.00 0.00 H new ATOM 0 HA TYR A 459 0.103 3.850 -2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 459 3.012 4.253 -2.932 1.00 0.00 H new ATOM 0 HB3 TYR A 459 2.021 5.660 -2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 459 3.330 2.512 -1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 459 1.305 6.178 -0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 459 3.621 2.154 1.268 1.00 0.00 H new ATOM 0 HE2 TYR A 459 1.599 5.822 2.057 1.00 0.00 H new ATOM 0 HH TYR A 459 2.391 4.515 3.650 1.00 0.00 H new ATOM 974 N GLU A 460 -0.769 5.253 -4.085 1.00 0.00 N ATOM 975 CA GLU A 460 -1.364 6.006 -5.184 1.00 0.00 C ATOM 976 C GLU A 460 -1.714 7.424 -4.743 1.00 0.00 C ATOM 977 O GLU A 460 -2.535 7.622 -3.848 1.00 0.00 O ATOM 978 CB GLU A 460 -2.616 5.294 -5.698 1.00 0.00 C ATOM 979 CG GLU A 460 -2.359 4.407 -6.905 1.00 0.00 C ATOM 980 CD GLU A 460 -2.273 2.938 -6.542 1.00 0.00 C ATOM 981 OE1 GLU A 460 -2.910 2.534 -5.546 1.00 0.00 O ATOM 982 OE2 GLU A 460 -1.570 2.191 -7.253 1.00 0.00 O ATOM 0 H GLU A 460 -1.316 5.261 -3.224 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.633 6.066 -5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.035 4.688 -4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.367 6.040 -5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -3.157 4.551 -7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -1.430 4.714 -7.385 1.00 0.00 H new ATOM 989 N GLY A 461 -1.085 8.408 -5.379 1.00 0.00 N ATOM 990 CA GLY A 461 -1.344 9.795 -5.039 1.00 0.00 C ATOM 991 C GLY A 461 -0.188 10.434 -4.293 1.00 0.00 C ATOM 992 O GLY A 461 0.785 9.762 -3.949 1.00 0.00 O ATOM 0 H GLY A 461 -0.401 8.269 -6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.540 10.359 -5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.244 9.854 -4.427 1.00 0.00 H new ATOM 996 N LYS A 462 -0.296 11.735 -4.045 1.00 0.00 N ATOM 997 CA LYS A 462 0.749 12.465 -3.335 1.00 0.00 C ATOM 998 C LYS A 462 0.156 13.305 -2.208 1.00 0.00 C ATOM 999 O LYS A 462 -1.023 13.654 -2.234 1.00 0.00 O ATOM 1000 CB LYS A 462 1.520 13.363 -4.303 1.00 0.00 C ATOM 1001 CG LYS A 462 2.368 12.593 -5.303 1.00 0.00 C ATOM 1002 CD LYS A 462 3.376 13.499 -5.992 1.00 0.00 C ATOM 1003 CE LYS A 462 3.555 13.125 -7.454 1.00 0.00 C ATOM 1004 NZ LYS A 462 2.525 13.761 -8.320 1.00 0.00 N ATOM 0 H LYS A 462 -1.095 12.305 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 462 1.434 11.737 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 462 0.813 13.990 -4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 462 2.164 14.031 -3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 462 2.892 11.786 -4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 462 1.722 12.131 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 462 3.045 14.535 -5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 462 4.335 13.434 -5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 462 4.547 13.429 -7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 462 3.500 12.042 -7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 2.682 13.481 -9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 1.579 13.452 -8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 2.593 14.796 -8.238 1.00 0.00 H new ATOM 1018 N HIS A 463 0.984 13.627 -1.219 1.00 0.00 N ATOM 1019 CA HIS A 463 0.542 14.426 -0.082 1.00 0.00 C ATOM 1020 C HIS A 463 0.673 15.916 -0.381 1.00 0.00 C ATOM 1021 O HIS A 463 1.668 16.359 -0.956 1.00 0.00 O ATOM 1022 CB HIS A 463 1.356 14.072 1.163 1.00 0.00 C ATOM 1023 CG HIS A 463 1.146 12.667 1.635 1.00 0.00 C ATOM 1024 ND1 HIS A 463 0.004 12.253 2.287 1.00 0.00 N ATOM 1025 CD2 HIS A 463 1.941 11.573 1.545 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.104 10.969 2.579 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.269 10.533 2.139 1.00 0.00 N ATOM 0 H HIS A 463 1.964 13.347 -1.182 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.508 14.201 0.102 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.415 14.221 0.950 1.00 0.00 H new ATOM 0 HB3 HIS A 463 1.093 14.760 1.967 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.920 11.528 1.091 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.641 10.377 3.091 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.615 9.577 2.226 1.00 0.00 H new ATOM 1035 N ASN A 464 -0.338 16.684 0.009 1.00 0.00 N ATOM 1036 CA ASN A 464 -0.337 18.124 -0.217 1.00 0.00 C ATOM 1037 C ASN A 464 -0.567 18.881 1.086 1.00 0.00 C ATOM 1038 O ASN A 464 -1.143 19.969 1.089 1.00 0.00 O ATOM 1039 CB ASN A 464 -1.412 18.502 -1.237 1.00 0.00 C ATOM 1040 CG ASN A 464 -1.042 18.087 -2.648 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -0.066 18.575 -3.215 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -1.826 17.181 -3.223 1.00 0.00 N ATOM 0 H ASN A 464 -1.170 16.333 0.484 1.00 0.00 H new ATOM 0 HA ASN A 464 0.641 18.403 -0.609 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -2.355 18.031 -0.958 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -1.573 19.580 -1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -1.628 16.864 -4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -2.626 16.803 -2.715 1.00 0.00 H new ATOM 1049 N HIS A 465 -0.113 18.301 2.192 1.00 0.00 N ATOM 1050 CA HIS A 465 -0.270 18.922 3.501 1.00 0.00 C ATOM 1051 C HIS A 465 0.965 18.687 4.366 1.00 0.00 C ATOM 1052 O HIS A 465 1.713 17.734 4.150 1.00 0.00 O ATOM 1053 CB HIS A 465 -1.513 18.374 4.205 1.00 0.00 C ATOM 1054 CG HIS A 465 -1.486 16.889 4.398 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -1.208 16.293 5.610 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.707 15.877 3.526 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -1.260 14.980 5.474 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.560 14.702 4.219 1.00 0.00 N ATOM 0 H HIS A 465 0.367 17.401 2.207 1.00 0.00 H new ATOM 0 HA HIS A 465 -0.390 19.995 3.354 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -1.612 18.857 5.177 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -2.396 18.641 3.625 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -0.995 16.788 6.476 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.953 15.976 2.479 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -1.086 14.257 6.257 1.00 0.00 H new ATOM 1066 N ASP A 466 1.167 19.559 5.348 1.00 0.00 N ATOM 1067 CA ASP A 466 2.310 19.445 6.247 1.00 0.00 C ATOM 1068 C ASP A 466 2.194 18.198 7.118 1.00 0.00 C ATOM 1069 O ASP A 466 1.115 17.621 7.253 1.00 0.00 O ATOM 1070 CB ASP A 466 2.421 20.690 7.129 1.00 0.00 C ATOM 1071 CG ASP A 466 3.021 21.870 6.391 1.00 0.00 C ATOM 1072 OD1 ASP A 466 2.619 22.112 5.233 1.00 0.00 O ATOM 1073 OD2 ASP A 466 3.891 22.551 6.971 1.00 0.00 O ATOM 0 H ASP A 466 0.555 20.352 5.542 1.00 0.00 H new ATOM 0 HA ASP A 466 3.211 19.360 5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 466 1.431 20.960 7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 466 3.034 20.461 8.001 1.00 0.00 H new ATOM 1078 N LEU A 467 3.312 17.786 7.707 1.00 0.00 N ATOM 1079 CA LEU A 467 3.335 16.607 8.563 1.00 0.00 C ATOM 1080 C LEU A 467 2.812 16.938 9.961 1.00 0.00 C ATOM 1081 O LEU A 467 3.439 17.696 10.702 1.00 0.00 O ATOM 1082 CB LEU A 467 4.758 16.051 8.659 1.00 0.00 C ATOM 1083 CG LEU A 467 5.317 15.478 7.353 1.00 0.00 C ATOM 1084 CD1 LEU A 467 6.651 16.126 7.012 1.00 0.00 C ATOM 1085 CD2 LEU A 467 5.467 13.967 7.453 1.00 0.00 C ATOM 0 H LEU A 467 4.214 18.252 7.607 1.00 0.00 H new ATOM 0 HA LEU A 467 2.684 15.853 8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 467 5.420 16.846 9.003 1.00 0.00 H new ATOM 0 HB3 LEU A 467 4.776 15.270 9.419 1.00 0.00 H new ATOM 0 HG LEU A 467 4.613 15.701 6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 467 7.032 15.706 6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 467 6.514 17.201 6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 467 7.364 15.936 7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 467 5.865 13.578 6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 467 6.150 13.722 8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 467 4.494 13.517 7.648 1.00 0.00 H new ATOM 1097 N PRO A 468 1.650 16.375 10.345 1.00 0.00 N ATOM 1098 CA PRO A 468 1.054 16.622 11.661 1.00 0.00 C ATOM 1099 C PRO A 468 1.812 15.917 12.782 1.00 0.00 C ATOM 1100 O PRO A 468 2.825 15.262 12.543 1.00 0.00 O ATOM 1101 CB PRO A 468 -0.355 16.045 11.523 1.00 0.00 C ATOM 1102 CG PRO A 468 -0.224 14.979 10.491 1.00 0.00 C ATOM 1103 CD PRO A 468 0.830 15.458 9.530 1.00 0.00 C ATOM 0 HA PRO A 468 1.073 17.679 11.927 1.00 0.00 H new ATOM 0 HB2 PRO A 468 -0.712 15.639 12.470 1.00 0.00 H new ATOM 0 HB3 PRO A 468 -1.068 16.810 11.215 1.00 0.00 H new ATOM 0 HG2 PRO A 468 0.064 14.030 10.944 1.00 0.00 H new ATOM 0 HG3 PRO A 468 -1.172 14.813 9.979 1.00 0.00 H new ATOM 0 HD2 PRO A 468 1.422 14.631 9.139 1.00 0.00 H new ATOM 0 HD3 PRO A 468 0.390 15.968 8.673 1.00 0.00 H new ATOM 1111 N ALA A 469 1.312 16.057 14.006 1.00 0.00 N ATOM 1112 CA ALA A 469 1.940 15.434 15.164 1.00 0.00 C ATOM 1113 C ALA A 469 0.946 14.564 15.925 1.00 0.00 C ATOM 1114 O ALA A 469 1.251 14.186 17.076 1.00 0.00 O ATOM 1115 CB ALA A 469 2.525 16.497 16.081 1.00 0.00 C ATOM 1116 OXT ALA A 469 -0.131 14.269 15.366 1.00 0.00 O ATOM 0 H ALA A 469 0.474 16.597 14.221 1.00 0.00 H new ATOM 0 HA ALA A 469 2.746 14.792 14.809 1.00 0.00 H new ATOM 0 HB1 ALA A 469 2.991 16.018 16.942 1.00 0.00 H new ATOM 0 HB2 ALA A 469 3.273 17.074 15.538 1.00 0.00 H new ATOM 0 HB3 ALA A 469 1.731 17.161 16.421 1.00 0.00 H new TER 1122 ALA A 469 HETATM 1123 ZN ZN A 470 -1.878 12.979 2.990 1.00 0.00 ZN