USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=20 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 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 431 TYR OH : rot 180:sc= 0 USER MOD Single : A 400 GLN :FLIP amide:sc= 1.15 F(o=0,f=1.1) USER MOD Single : A 401 THR OG1 : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 403 SER OG : rot 180:sc= 0.0815 USER MOD Single : A 412 TYR OH : rot 180:sc= -0.54 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 TYR OH : rot 180:sc= 0 USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 ASN : amide:sc= 0.0202 K(o=0.02,f=-1.4) 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 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 THR OG1 : rot 67:sc= 1.17 USER MOD Single : A 436 THR OG1 : rot 175:sc=-0.000378 USER MOD Single : A 443 LYS NZ :NH3+ -158:sc= -0.798 (180deg=-2.56) USER MOD Single : A 444 HIS :FLIP no HD1:sc= -0.332 F(o=-1.9,f=-0.33) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0 USER MOD Single : A 453 LYS NZ :NH3+ -149:sc= -0.358 (180deg=-0.446) 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 -90:sc= 1.3 USER MOD Single : A 462 LYS NZ :NH3+ -152:sc= -0.158 (180deg=-0.618) USER MOD Single : A 464 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 399 -25.399 -5.580 20.458 1.00 0.00 N ATOM 2 CA VAL A 399 -23.915 -5.643 20.451 1.00 0.00 C ATOM 3 C VAL A 399 -23.320 -4.453 19.706 1.00 0.00 C ATOM 4 O VAL A 399 -23.911 -3.944 18.754 1.00 0.00 O ATOM 5 CB VAL A 399 -23.413 -6.942 19.793 1.00 0.00 C ATOM 6 CG1 VAL A 399 -23.794 -8.150 20.637 1.00 0.00 C ATOM 7 CG2 VAL A 399 -23.965 -7.075 18.381 1.00 0.00 C ATOM 0 HA VAL A 399 -23.592 -5.620 21.492 1.00 0.00 H new ATOM 0 HB VAL A 399 -22.326 -6.898 19.731 1.00 0.00 H new ATOM 0 HG11 VAL A 399 -23.431 -9.059 20.157 1.00 0.00 H new ATOM 0 HG12 VAL A 399 -23.346 -8.059 21.626 1.00 0.00 H new ATOM 0 HG13 VAL A 399 -24.879 -8.199 20.733 1.00 0.00 H new ATOM 0 HG21 VAL A 399 -23.599 -7.999 17.933 1.00 0.00 H new ATOM 0 HG22 VAL A 399 -25.054 -7.096 18.417 1.00 0.00 H new ATOM 0 HG23 VAL A 399 -23.638 -6.226 17.781 1.00 0.00 H new ATOM 17 N GLN A 400 -22.145 -4.013 20.146 1.00 0.00 N ATOM 18 CA GLN A 400 -21.469 -2.880 19.521 1.00 0.00 C ATOM 19 C GLN A 400 -19.955 -3.055 19.571 1.00 0.00 C ATOM 20 O GLN A 400 -19.294 -2.568 20.488 1.00 0.00 O ATOM 21 CB GLN A 400 -21.871 -1.576 20.213 1.00 0.00 C ATOM 22 CG GLN A 400 -22.173 -0.442 19.245 1.00 0.00 C ATOM 23 CD GLN A 400 -23.660 -0.238 19.034 1.00 0.00 C ATOM 24 OE1 GLN A 400 -24.100 1.013 19.096 1.00 0.00 O flip ATOM 25 NE2 GLN A 400 -24.405 -1.194 18.817 1.00 0.00 N flip ATOM 0 H GLN A 400 -21.641 -4.423 20.932 1.00 0.00 H new ATOM 0 HA GLN A 400 -21.775 -2.836 18.476 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -22.750 -1.758 20.832 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -21.068 -1.267 20.883 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -21.733 0.481 19.623 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -21.699 -0.651 18.286 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -24.024 -2.139 18.778 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -25.404 -1.041 18.676 1.00 0.00 H new ATOM 34 N THR A 401 -19.412 -3.751 18.578 1.00 0.00 N ATOM 35 CA THR A 401 -17.975 -3.990 18.508 1.00 0.00 C ATOM 36 C THR A 401 -17.310 -3.035 17.523 1.00 0.00 C ATOM 37 O THR A 401 -17.604 -3.054 16.329 1.00 0.00 O ATOM 38 CB THR A 401 -17.666 -5.440 18.090 1.00 0.00 C ATOM 39 OG1 THR A 401 -16.248 -5.642 18.038 1.00 0.00 O ATOM 40 CG2 THR A 401 -18.278 -5.756 16.733 1.00 0.00 C ATOM 0 H THR A 401 -19.945 -4.160 17.810 1.00 0.00 H new ATOM 0 HA THR A 401 -17.575 -3.816 19.507 1.00 0.00 H new ATOM 0 HB THR A 401 -18.102 -6.109 18.831 1.00 0.00 H new ATOM 0 HG1 THR A 401 -16.059 -6.566 17.773 1.00 0.00 H new ATOM 0 HG21 THR A 401 -18.046 -6.785 16.460 1.00 0.00 H new ATOM 0 HG22 THR A 401 -19.359 -5.629 16.783 1.00 0.00 H new ATOM 0 HG23 THR A 401 -17.868 -5.080 15.983 1.00 0.00 H new ATOM 48 N THR A 402 -16.410 -2.199 18.034 1.00 0.00 N ATOM 49 CA THR A 402 -15.703 -1.235 17.199 1.00 0.00 C ATOM 50 C THR A 402 -14.204 -1.260 17.479 1.00 0.00 C ATOM 51 O THR A 402 -13.739 -0.704 18.474 1.00 0.00 O ATOM 52 CB THR A 402 -16.231 0.195 17.420 1.00 0.00 C ATOM 53 OG1 THR A 402 -17.578 0.149 17.905 1.00 0.00 O ATOM 54 CG2 THR A 402 -16.179 0.996 16.129 1.00 0.00 C ATOM 0 H THR A 402 -16.154 -2.170 19.021 1.00 0.00 H new ATOM 0 HA THR A 402 -15.882 -1.524 16.163 1.00 0.00 H new ATOM 0 HB THR A 402 -15.595 0.684 18.158 1.00 0.00 H new ATOM 0 HG1 THR A 402 -17.907 1.062 18.045 1.00 0.00 H new ATOM 0 HG21 THR A 402 -16.557 2.002 16.310 1.00 0.00 H new ATOM 0 HG22 THR A 402 -15.149 1.053 15.777 1.00 0.00 H new ATOM 0 HG23 THR A 402 -16.794 0.508 15.373 1.00 0.00 H new ATOM 62 N SER A 403 -13.453 -1.910 16.596 1.00 0.00 N ATOM 63 CA SER A 403 -12.006 -2.006 16.748 1.00 0.00 C ATOM 64 C SER A 403 -11.323 -0.730 16.271 1.00 0.00 C ATOM 65 O SER A 403 -11.704 -0.152 15.254 1.00 0.00 O ATOM 66 CB SER A 403 -11.471 -3.208 15.967 1.00 0.00 C ATOM 67 OG SER A 403 -12.253 -3.459 14.815 1.00 0.00 O ATOM 0 H SER A 403 -13.822 -2.378 15.768 1.00 0.00 H new ATOM 0 HA SER A 403 -11.784 -2.140 17.807 1.00 0.00 H new ATOM 0 HB2 SER A 403 -10.437 -3.024 15.675 1.00 0.00 H new ATOM 0 HB3 SER A 403 -11.469 -4.090 16.608 1.00 0.00 H new ATOM 0 HG SER A 403 -11.888 -4.231 14.334 1.00 0.00 H new ATOM 73 N GLU A 404 -10.310 -0.294 17.013 1.00 0.00 N ATOM 74 CA GLU A 404 -9.572 0.913 16.665 1.00 0.00 C ATOM 75 C GLU A 404 -8.389 0.588 15.760 1.00 0.00 C ATOM 76 O GLU A 404 -7.414 -0.027 16.192 1.00 0.00 O ATOM 77 CB GLU A 404 -9.081 1.619 17.930 1.00 0.00 C ATOM 78 CG GLU A 404 -8.484 2.993 17.668 1.00 0.00 C ATOM 79 CD GLU A 404 -9.261 4.106 18.345 1.00 0.00 C ATOM 80 OE1 GLU A 404 -10.491 3.956 18.510 1.00 0.00 O ATOM 81 OE2 GLU A 404 -8.641 5.127 18.710 1.00 0.00 O ATOM 0 H GLU A 404 -9.982 -0.759 17.859 1.00 0.00 H new ATOM 0 HA GLU A 404 -10.247 1.577 16.125 1.00 0.00 H new ATOM 0 HB2 GLU A 404 -9.914 1.721 18.626 1.00 0.00 H new ATOM 0 HB3 GLU A 404 -8.333 0.994 18.418 1.00 0.00 H new ATOM 0 HG2 GLU A 404 -7.452 3.010 18.019 1.00 0.00 H new ATOM 0 HG3 GLU A 404 -8.458 3.175 16.594 1.00 0.00 H new ATOM 88 N VAL A 405 -8.482 1.002 14.500 1.00 0.00 N ATOM 89 CA VAL A 405 -7.417 0.753 13.534 1.00 0.00 C ATOM 90 C VAL A 405 -6.319 1.805 13.642 1.00 0.00 C ATOM 91 O VAL A 405 -6.561 2.996 13.445 1.00 0.00 O ATOM 92 CB VAL A 405 -7.956 0.732 12.091 1.00 0.00 C ATOM 93 CG1 VAL A 405 -8.692 -0.570 11.814 1.00 0.00 C ATOM 94 CG2 VAL A 405 -8.861 1.928 11.835 1.00 0.00 C ATOM 0 H VAL A 405 -9.282 1.511 14.124 1.00 0.00 H new ATOM 0 HA VAL A 405 -7.001 -0.227 13.770 1.00 0.00 H new ATOM 0 HB VAL A 405 -7.108 0.797 11.409 1.00 0.00 H new ATOM 0 HG11 VAL A 405 -9.065 -0.566 10.790 1.00 0.00 H new ATOM 0 HG12 VAL A 405 -8.010 -1.409 11.948 1.00 0.00 H new ATOM 0 HG13 VAL A 405 -9.529 -0.669 12.505 1.00 0.00 H new ATOM 0 HG21 VAL A 405 -9.230 1.892 10.810 1.00 0.00 H new ATOM 0 HG22 VAL A 405 -9.704 1.901 12.525 1.00 0.00 H new ATOM 0 HG23 VAL A 405 -8.298 2.849 11.986 1.00 0.00 H new ATOM 104 N ASP A 406 -5.107 1.357 13.956 1.00 0.00 N ATOM 105 CA ASP A 406 -3.968 2.259 14.090 1.00 0.00 C ATOM 106 C ASP A 406 -2.964 2.037 12.965 1.00 0.00 C ATOM 107 O ASP A 406 -2.518 0.913 12.731 1.00 0.00 O ATOM 108 CB ASP A 406 -3.288 2.057 15.445 1.00 0.00 C ATOM 109 CG ASP A 406 -4.016 2.767 16.570 1.00 0.00 C ATOM 110 OD1 ASP A 406 -3.808 3.988 16.733 1.00 0.00 O ATOM 111 OD2 ASP A 406 -4.792 2.103 17.286 1.00 0.00 O ATOM 0 H ASP A 406 -4.888 0.375 14.122 1.00 0.00 H new ATOM 0 HA ASP A 406 -4.337 3.283 14.026 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -3.235 0.991 15.666 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -2.263 2.423 15.392 1.00 0.00 H new ATOM 116 N LEU A 407 -2.611 3.113 12.271 1.00 0.00 N ATOM 117 CA LEU A 407 -1.658 3.036 11.171 1.00 0.00 C ATOM 118 C LEU A 407 -0.235 3.281 11.665 1.00 0.00 C ATOM 119 O LEU A 407 0.029 4.260 12.363 1.00 0.00 O ATOM 120 CB LEU A 407 -2.020 4.050 10.083 1.00 0.00 C ATOM 121 CG LEU A 407 -2.582 3.445 8.795 1.00 0.00 C ATOM 122 CD1 LEU A 407 -1.531 2.589 8.106 1.00 0.00 C ATOM 123 CD2 LEU A 407 -3.829 2.626 9.092 1.00 0.00 C ATOM 0 H LEU A 407 -2.971 4.050 12.451 1.00 0.00 H new ATOM 0 HA LEU A 407 -1.706 2.032 10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 407 -2.752 4.749 10.488 1.00 0.00 H new ATOM 0 HB3 LEU A 407 -1.130 4.629 9.836 1.00 0.00 H new ATOM 0 HG LEU A 407 -2.857 4.258 8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -1.948 2.167 7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -0.665 3.204 7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 407 -1.225 1.782 8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -4.216 2.203 8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -3.579 1.820 9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -4.587 3.267 9.542 1.00 0.00 H new ATOM 135 N LEU A 408 0.675 2.385 11.299 1.00 0.00 N ATOM 136 CA LEU A 408 2.071 2.504 11.706 1.00 0.00 C ATOM 137 C LEU A 408 2.857 3.351 10.709 1.00 0.00 C ATOM 138 O LEU A 408 3.885 2.920 10.185 1.00 0.00 O ATOM 139 CB LEU A 408 2.707 1.117 11.833 1.00 0.00 C ATOM 140 CG LEU A 408 1.991 0.163 12.790 1.00 0.00 C ATOM 141 CD1 LEU A 408 2.500 -1.258 12.605 1.00 0.00 C ATOM 142 CD2 LEU A 408 2.179 0.615 14.231 1.00 0.00 C ATOM 0 H LEU A 408 0.472 1.569 10.722 1.00 0.00 H new ATOM 0 HA LEU A 408 2.101 2.998 12.677 1.00 0.00 H new ATOM 0 HB2 LEU A 408 2.742 0.658 10.845 1.00 0.00 H new ATOM 0 HB3 LEU A 408 3.738 1.236 12.166 1.00 0.00 H new ATOM 0 HG LEU A 408 0.926 0.179 12.561 1.00 0.00 H new ATOM 0 HD11 LEU A 408 1.980 -1.923 13.294 1.00 0.00 H new ATOM 0 HD12 LEU A 408 2.315 -1.580 11.580 1.00 0.00 H new ATOM 0 HD13 LEU A 408 3.570 -1.290 12.808 1.00 0.00 H new ATOM 0 HD21 LEU A 408 1.663 -0.075 14.899 1.00 0.00 H new ATOM 0 HD22 LEU A 408 3.242 0.628 14.473 1.00 0.00 H new ATOM 0 HD23 LEU A 408 1.767 1.616 14.355 1.00 0.00 H new ATOM 154 N ASP A 409 2.369 4.560 10.453 1.00 0.00 N ATOM 155 CA ASP A 409 3.025 5.468 9.519 1.00 0.00 C ATOM 156 C ASP A 409 3.944 6.435 10.259 1.00 0.00 C ATOM 157 O ASP A 409 4.114 6.340 11.474 1.00 0.00 O ATOM 158 CB ASP A 409 1.983 6.248 8.717 1.00 0.00 C ATOM 159 CG ASP A 409 2.410 6.476 7.281 1.00 0.00 C ATOM 160 OD1 ASP A 409 2.244 5.550 6.458 1.00 0.00 O ATOM 161 OD2 ASP A 409 2.912 7.580 6.978 1.00 0.00 O ATOM 0 H ASP A 409 1.521 4.934 10.879 1.00 0.00 H new ATOM 0 HA ASP A 409 3.628 4.873 8.833 1.00 0.00 H new ATOM 0 HB2 ASP A 409 1.038 5.705 8.730 1.00 0.00 H new ATOM 0 HB3 ASP A 409 1.805 7.210 9.197 1.00 0.00 H new ATOM 166 N ASP A 410 4.537 7.364 9.517 1.00 0.00 N ATOM 167 CA ASP A 410 5.441 8.348 10.102 1.00 0.00 C ATOM 168 C ASP A 410 4.853 9.752 10.006 1.00 0.00 C ATOM 169 O ASP A 410 5.585 10.735 9.888 1.00 0.00 O ATOM 170 CB ASP A 410 6.801 8.302 9.402 1.00 0.00 C ATOM 171 CG ASP A 410 7.762 7.340 10.070 1.00 0.00 C ATOM 172 OD1 ASP A 410 7.771 7.278 11.318 1.00 0.00 O ATOM 173 OD2 ASP A 410 8.507 6.647 9.344 1.00 0.00 O ATOM 0 H ASP A 410 4.408 7.456 8.509 1.00 0.00 H new ATOM 0 HA ASP A 410 5.574 8.101 11.155 1.00 0.00 H new ATOM 0 HB2 ASP A 410 6.661 8.008 8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 410 7.237 9.301 9.395 1.00 0.00 H new ATOM 178 N GLY A 411 3.528 9.838 10.056 1.00 0.00 N ATOM 179 CA GLY A 411 2.865 11.126 9.972 1.00 0.00 C ATOM 180 C GLY A 411 1.534 11.048 9.250 1.00 0.00 C ATOM 181 O GLY A 411 0.508 11.484 9.775 1.00 0.00 O ATOM 0 H GLY A 411 2.902 9.039 10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 411 2.707 11.516 10.978 1.00 0.00 H new ATOM 0 HA3 GLY A 411 3.514 11.832 9.455 1.00 0.00 H new ATOM 185 N TYR A 412 1.549 10.491 8.044 1.00 0.00 N ATOM 186 CA TYR A 412 0.334 10.358 7.248 1.00 0.00 C ATOM 187 C TYR A 412 -0.701 9.504 7.972 1.00 0.00 C ATOM 188 O TYR A 412 -0.364 8.492 8.587 1.00 0.00 O ATOM 189 CB TYR A 412 0.655 9.742 5.886 1.00 0.00 C ATOM 190 CG TYR A 412 1.808 10.413 5.173 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.904 11.798 5.120 1.00 0.00 C ATOM 192 CD2 TYR A 412 2.799 9.661 4.554 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.956 12.414 4.469 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.854 10.271 3.902 1.00 0.00 C ATOM 195 CZ TYR A 412 3.928 11.648 3.862 1.00 0.00 C ATOM 196 OH TYR A 412 4.976 12.260 3.215 1.00 0.00 O ATOM 0 H TYR A 412 2.389 10.124 7.596 1.00 0.00 H new ATOM 0 HA TYR A 412 -0.082 11.354 7.100 1.00 0.00 H new ATOM 0 HB2 TYR A 412 0.888 8.686 6.020 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.232 9.795 5.255 1.00 0.00 H new ATOM 0 HD1 TYR A 412 1.145 12.402 5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 412 2.744 8.583 4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 412 3.016 13.492 4.436 1.00 0.00 H new ATOM 0 HE2 TYR A 412 4.617 9.673 3.426 1.00 0.00 H new ATOM 0 HH TYR A 412 5.573 11.578 2.842 1.00 0.00 H new ATOM 206 N ARG A 413 -1.962 9.917 7.896 1.00 0.00 N ATOM 207 CA ARG A 413 -3.046 9.190 8.544 1.00 0.00 C ATOM 208 C ARG A 413 -3.967 8.552 7.510 1.00 0.00 C ATOM 209 O ARG A 413 -4.750 9.240 6.853 1.00 0.00 O ATOM 210 CB ARG A 413 -3.848 10.126 9.450 1.00 0.00 C ATOM 211 CG ARG A 413 -3.326 10.185 10.877 1.00 0.00 C ATOM 212 CD ARG A 413 -2.584 11.484 11.153 1.00 0.00 C ATOM 213 NE ARG A 413 -3.151 12.209 12.288 1.00 0.00 N ATOM 214 CZ ARG A 413 -4.286 12.905 12.232 1.00 0.00 C ATOM 215 NH1 ARG A 413 -4.975 12.972 11.100 1.00 0.00 N ATOM 216 NH2 ARG A 413 -4.732 13.533 13.311 1.00 0.00 N ATOM 0 H ARG A 413 -2.258 10.753 7.391 1.00 0.00 H new ATOM 0 HA ARG A 413 -2.606 8.398 9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -3.834 11.130 9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -4.888 9.800 9.465 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -4.159 10.087 11.573 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -2.660 9.341 11.056 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -1.534 11.267 11.350 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -2.618 12.116 10.266 1.00 0.00 H new ATOM 0 HE ARG A 413 -2.649 12.181 13.175 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -4.636 12.489 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -5.843 13.506 11.062 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -4.206 13.483 14.184 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -5.601 14.066 13.268 1.00 0.00 H new ATOM 230 N TRP A 414 -3.871 7.235 7.368 1.00 0.00 N ATOM 231 CA TRP A 414 -4.695 6.505 6.411 1.00 0.00 C ATOM 232 C TRP A 414 -5.890 5.859 7.107 1.00 0.00 C ATOM 233 O TRP A 414 -5.789 5.413 8.250 1.00 0.00 O ATOM 234 CB TRP A 414 -3.866 5.433 5.701 1.00 0.00 C ATOM 235 CG TRP A 414 -2.513 5.913 5.271 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.424 6.115 6.069 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.104 6.250 3.941 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.363 6.557 5.316 1.00 0.00 N ATOM 239 CE2 TRP A 414 -0.755 6.648 4.006 1.00 0.00 C ATOM 240 CE3 TRP A 414 -2.748 6.253 2.700 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.041 7.044 2.879 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.037 6.647 1.582 1.00 0.00 C ATOM 243 CH2 TRP A 414 -0.695 7.039 1.678 1.00 0.00 C ATOM 0 H TRP A 414 -3.230 6.650 7.904 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.064 7.216 5.672 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -3.745 4.578 6.366 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.413 5.081 4.826 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -1.400 5.951 7.136 1.00 0.00 H new ATOM 0 HE1 TRP A 414 0.566 6.781 5.674 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -3.782 5.953 2.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.994 7.345 2.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.524 6.653 0.618 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.167 7.343 0.786 1.00 0.00 H new ATOM 254 N ARG A 415 -7.020 5.812 6.409 1.00 0.00 N ATOM 255 CA ARG A 415 -8.234 5.221 6.960 1.00 0.00 C ATOM 256 C ARG A 415 -8.711 4.058 6.096 1.00 0.00 C ATOM 257 O ARG A 415 -8.611 4.099 4.870 1.00 0.00 O ATOM 258 CB ARG A 415 -9.337 6.275 7.069 1.00 0.00 C ATOM 259 CG ARG A 415 -10.393 5.945 8.111 1.00 0.00 C ATOM 260 CD ARG A 415 -11.120 7.192 8.587 1.00 0.00 C ATOM 261 NE ARG A 415 -12.447 7.315 7.991 1.00 0.00 N ATOM 262 CZ ARG A 415 -13.364 8.188 8.397 1.00 0.00 C ATOM 263 NH1 ARG A 415 -13.102 9.021 9.397 1.00 0.00 N ATOM 264 NH2 ARG A 415 -14.548 8.233 7.800 1.00 0.00 N ATOM 0 H ARG A 415 -7.120 6.176 5.461 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.004 4.842 7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -8.886 7.237 7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -9.819 6.386 6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -11.112 5.242 7.691 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -9.924 5.450 8.961 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -11.212 7.165 9.673 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -10.528 8.073 8.339 1.00 0.00 H new ATOM 0 HE ARG A 415 -12.685 6.694 7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -12.193 8.994 9.859 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -13.810 9.688 9.704 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -14.755 7.598 7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -15.251 8.903 8.112 1.00 0.00 H new ATOM 278 N LYS A 416 -9.234 3.021 6.744 1.00 0.00 N ATOM 279 CA LYS A 416 -9.727 1.847 6.035 1.00 0.00 C ATOM 280 C LYS A 416 -11.117 2.103 5.458 1.00 0.00 C ATOM 281 O LYS A 416 -11.932 2.798 6.065 1.00 0.00 O ATOM 282 CB LYS A 416 -9.766 0.637 6.972 1.00 0.00 C ATOM 283 CG LYS A 416 -10.063 -0.672 6.260 1.00 0.00 C ATOM 284 CD LYS A 416 -10.514 -1.747 7.235 1.00 0.00 C ATOM 285 CE LYS A 416 -10.582 -3.112 6.568 1.00 0.00 C ATOM 286 NZ LYS A 416 -10.628 -4.216 7.565 1.00 0.00 N ATOM 0 H LYS A 416 -9.327 2.971 7.759 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.044 1.638 5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -8.808 0.553 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -10.523 0.805 7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -10.837 -0.512 5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -9.172 -1.010 5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -9.825 -1.787 8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -11.494 -1.488 7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -11.465 -3.161 5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -9.715 -3.243 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -10.674 -5.129 7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -9.773 -4.185 8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -11.469 -4.106 8.166 1.00 0.00 H new ATOM 300 N TYR A 417 -11.379 1.537 4.286 1.00 0.00 N ATOM 301 CA TYR A 417 -12.668 1.702 3.627 1.00 0.00 C ATOM 302 C TYR A 417 -13.103 0.409 2.947 1.00 0.00 C ATOM 303 O TYR A 417 -14.244 -0.028 3.092 1.00 0.00 O ATOM 304 CB TYR A 417 -12.599 2.834 2.601 1.00 0.00 C ATOM 305 CG TYR A 417 -11.555 2.617 1.529 1.00 0.00 C ATOM 306 CD1 TYR A 417 -10.208 2.829 1.793 1.00 0.00 C ATOM 307 CD2 TYR A 417 -11.917 2.200 0.255 1.00 0.00 C ATOM 308 CE1 TYR A 417 -9.250 2.632 0.816 1.00 0.00 C ATOM 309 CE2 TYR A 417 -10.965 2.001 -0.728 1.00 0.00 C ATOM 310 CZ TYR A 417 -9.634 2.218 -0.443 1.00 0.00 C ATOM 311 OH TYR A 417 -8.683 2.020 -1.418 1.00 0.00 O ATOM 0 H TYR A 417 -10.714 0.959 3.772 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.406 1.955 4.388 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.575 2.945 2.129 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.387 3.770 3.118 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -9.904 3.153 2.777 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -12.959 2.028 0.028 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -8.206 2.801 1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -11.263 1.677 -1.714 1.00 0.00 H new ATOM 0 HH TYR A 417 -9.119 1.729 -2.246 1.00 0.00 H new ATOM 321 N GLY A 418 -12.184 -0.200 2.204 1.00 0.00 N ATOM 322 CA GLY A 418 -12.490 -1.438 1.511 1.00 0.00 C ATOM 323 C GLY A 418 -11.573 -2.574 1.921 1.00 0.00 C ATOM 324 O GLY A 418 -10.495 -2.343 2.467 1.00 0.00 O ATOM 0 H GLY A 418 -11.233 0.142 2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -13.524 -1.718 1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -12.408 -1.279 0.436 1.00 0.00 H new ATOM 328 N GLN A 419 -12.004 -3.803 1.659 1.00 0.00 N ATOM 329 CA GLN A 419 -11.216 -4.981 2.005 1.00 0.00 C ATOM 330 C GLN A 419 -11.688 -6.202 1.223 1.00 0.00 C ATOM 331 O GLN A 419 -12.862 -6.308 0.869 1.00 0.00 O ATOM 332 CB GLN A 419 -11.307 -5.256 3.507 1.00 0.00 C ATOM 333 CG GLN A 419 -12.732 -5.418 4.011 1.00 0.00 C ATOM 334 CD GLN A 419 -12.917 -6.669 4.847 1.00 0.00 C ATOM 335 OE1 GLN A 419 -12.846 -7.788 4.337 1.00 0.00 O ATOM 336 NE2 GLN A 419 -13.160 -6.486 6.140 1.00 0.00 N ATOM 0 H GLN A 419 -12.895 -4.010 1.208 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.177 -4.783 1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -10.744 -6.161 3.737 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -10.830 -4.438 4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -13.005 -4.545 4.605 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -13.413 -5.450 3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.210 -5.541 6.521 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.296 -7.290 6.752 1.00 0.00 H new ATOM 345 N LYS A 420 -10.766 -7.120 0.957 1.00 0.00 N ATOM 346 CA LYS A 420 -11.089 -8.334 0.215 1.00 0.00 C ATOM 347 C LYS A 420 -10.531 -9.566 0.922 1.00 0.00 C ATOM 348 O LYS A 420 -9.743 -9.453 1.860 1.00 0.00 O ATOM 349 CB LYS A 420 -10.532 -8.252 -1.207 1.00 0.00 C ATOM 350 CG LYS A 420 -11.032 -7.047 -1.987 1.00 0.00 C ATOM 351 CD LYS A 420 -11.649 -7.455 -3.316 1.00 0.00 C ATOM 352 CE LYS A 420 -10.635 -8.148 -4.211 1.00 0.00 C ATOM 353 NZ LYS A 420 -9.988 -7.198 -5.159 1.00 0.00 N ATOM 0 H LYS A 420 -9.790 -7.047 1.243 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.174 -8.423 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -9.444 -8.218 -1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -10.800 -9.160 -1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -11.771 -6.509 -1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -10.205 -6.360 -2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -12.493 -8.121 -3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -12.040 -6.573 -3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -9.871 -8.622 -3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -11.129 -8.941 -4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -9.304 -7.710 -5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -10.713 -6.764 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -9.495 -6.455 -4.624 1.00 0.00 H new ATOM 367 N VAL A 421 -10.949 -10.744 0.466 1.00 0.00 N ATOM 368 CA VAL A 421 -10.493 -11.997 1.054 1.00 0.00 C ATOM 369 C VAL A 421 -9.970 -12.947 -0.019 1.00 0.00 C ATOM 370 O VAL A 421 -10.537 -13.046 -1.105 1.00 0.00 O ATOM 371 CB VAL A 421 -11.623 -12.691 1.840 1.00 0.00 C ATOM 372 CG1 VAL A 421 -12.784 -13.040 0.921 1.00 0.00 C ATOM 373 CG2 VAL A 421 -11.100 -13.934 2.546 1.00 0.00 C ATOM 0 H VAL A 421 -11.603 -10.855 -0.309 1.00 0.00 H new ATOM 0 HA VAL A 421 -9.683 -11.752 1.741 1.00 0.00 H new ATOM 0 HB VAL A 421 -11.988 -11.997 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.570 -13.529 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.178 -12.129 0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.437 -13.713 0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -11.913 -14.410 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -10.703 -14.632 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -10.309 -13.652 3.241 1.00 0.00 H new ATOM 383 N VAL A 422 -8.883 -13.644 0.296 1.00 0.00 N ATOM 384 CA VAL A 422 -8.281 -14.588 -0.639 1.00 0.00 C ATOM 385 C VAL A 422 -8.271 -16.001 -0.064 1.00 0.00 C ATOM 386 O VAL A 422 -8.061 -16.192 1.133 1.00 0.00 O ATOM 387 CB VAL A 422 -6.840 -14.182 -0.999 1.00 0.00 C ATOM 388 CG1 VAL A 422 -6.303 -15.056 -2.121 1.00 0.00 C ATOM 389 CG2 VAL A 422 -6.780 -12.710 -1.383 1.00 0.00 C ATOM 0 H VAL A 422 -8.401 -13.573 1.192 1.00 0.00 H new ATOM 0 HA VAL A 422 -8.891 -14.570 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.210 -14.331 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -5.284 -14.754 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -6.307 -16.099 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -6.933 -14.943 -3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -5.754 -12.441 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -7.423 -12.532 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.120 -12.101 -0.545 1.00 0.00 H new ATOM 399 N LYS A 423 -8.499 -16.987 -0.925 1.00 0.00 N ATOM 400 CA LYS A 423 -8.515 -18.382 -0.502 1.00 0.00 C ATOM 401 C LYS A 423 -7.101 -18.882 -0.217 1.00 0.00 C ATOM 402 O LYS A 423 -6.193 -18.699 -1.027 1.00 0.00 O ATOM 403 CB LYS A 423 -9.171 -19.254 -1.574 1.00 0.00 C ATOM 404 CG LYS A 423 -10.681 -19.352 -1.439 1.00 0.00 C ATOM 405 CD LYS A 423 -11.177 -20.765 -1.709 1.00 0.00 C ATOM 406 CE LYS A 423 -11.550 -21.483 -0.421 1.00 0.00 C ATOM 407 NZ LYS A 423 -13.026 -21.603 -0.259 1.00 0.00 N ATOM 0 H LYS A 423 -8.675 -16.846 -1.920 1.00 0.00 H new ATOM 0 HA LYS A 423 -9.096 -18.450 0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -8.928 -18.851 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -8.745 -20.256 -1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -10.978 -19.047 -0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -11.155 -18.660 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -12.043 -20.727 -2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -10.404 -21.329 -2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -11.102 -22.477 -0.417 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -11.134 -20.943 0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -13.238 -22.098 0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -13.451 -20.654 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -13.420 -22.141 -1.057 1.00 0.00 H new ATOM 421 N GLY A 424 -6.924 -19.512 0.938 1.00 0.00 N ATOM 422 CA GLY A 424 -5.619 -20.028 1.310 1.00 0.00 C ATOM 423 C GLY A 424 -4.854 -19.076 2.206 1.00 0.00 C ATOM 424 O GLY A 424 -4.086 -19.507 3.068 1.00 0.00 O ATOM 0 H GLY A 424 -7.661 -19.675 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -5.741 -20.983 1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -5.037 -20.220 0.409 1.00 0.00 H new ATOM 428 N ASN A 425 -5.063 -17.779 2.006 1.00 0.00 N ATOM 429 CA ASN A 425 -4.385 -16.764 2.802 1.00 0.00 C ATOM 430 C ASN A 425 -5.183 -16.442 4.067 1.00 0.00 C ATOM 431 O ASN A 425 -6.269 -15.866 3.992 1.00 0.00 O ATOM 432 CB ASN A 425 -4.184 -15.491 1.977 1.00 0.00 C ATOM 433 CG ASN A 425 -2.936 -15.552 1.117 1.00 0.00 C ATOM 434 OD1 ASN A 425 -1.991 -14.789 1.318 1.00 0.00 O ATOM 435 ND2 ASN A 425 -2.931 -16.461 0.149 1.00 0.00 N ATOM 0 H ASN A 425 -5.697 -17.406 1.299 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.412 -17.157 3.096 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -5.054 -15.333 1.340 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -4.119 -14.633 2.647 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -2.121 -16.548 -0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.737 -17.072 0.019 1.00 0.00 H new ATOM 442 N PRO A 426 -4.656 -16.808 5.251 1.00 0.00 N ATOM 443 CA PRO A 426 -5.333 -16.550 6.527 1.00 0.00 C ATOM 444 C PRO A 426 -5.408 -15.063 6.859 1.00 0.00 C ATOM 445 O PRO A 426 -6.146 -14.656 7.757 1.00 0.00 O ATOM 446 CB PRO A 426 -4.462 -17.282 7.552 1.00 0.00 C ATOM 447 CG PRO A 426 -3.118 -17.368 6.917 1.00 0.00 C ATOM 448 CD PRO A 426 -3.366 -17.498 5.442 1.00 0.00 C ATOM 0 HA PRO A 426 -6.369 -16.889 6.509 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -4.420 -16.738 8.495 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -4.859 -18.273 7.773 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -2.525 -16.480 7.136 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -2.561 -18.225 7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.571 -17.033 4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -3.419 -18.542 5.134 1.00 0.00 H new ATOM 456 N TYR A 427 -4.642 -14.253 6.131 1.00 0.00 N ATOM 457 CA TYR A 427 -4.626 -12.812 6.354 1.00 0.00 C ATOM 458 C TYR A 427 -5.275 -12.074 5.184 1.00 0.00 C ATOM 459 O TYR A 427 -4.617 -11.777 4.187 1.00 0.00 O ATOM 460 CB TYR A 427 -3.190 -12.323 6.546 1.00 0.00 C ATOM 461 CG TYR A 427 -2.384 -13.173 7.501 1.00 0.00 C ATOM 462 CD1 TYR A 427 -2.886 -13.514 8.752 1.00 0.00 C ATOM 463 CD2 TYR A 427 -1.121 -13.635 7.153 1.00 0.00 C ATOM 464 CE1 TYR A 427 -2.151 -14.291 9.628 1.00 0.00 C ATOM 465 CE2 TYR A 427 -0.381 -14.413 8.023 1.00 0.00 C ATOM 466 CZ TYR A 427 -0.900 -14.739 9.258 1.00 0.00 C ATOM 467 OH TYR A 427 -0.166 -15.513 10.127 1.00 0.00 O ATOM 0 H TYR A 427 -4.026 -14.571 5.383 1.00 0.00 H new ATOM 0 HA TYR A 427 -5.199 -12.601 7.257 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.689 -12.304 5.578 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -3.210 -11.297 6.914 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -3.866 -13.166 9.044 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.711 -13.382 6.187 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -2.554 -14.546 10.597 1.00 0.00 H new ATOM 0 HE2 TYR A 427 0.599 -14.764 7.737 1.00 0.00 H new ATOM 0 HH TYR A 427 0.691 -15.746 9.713 1.00 0.00 H new ATOM 477 N PRO A 428 -6.581 -11.767 5.289 1.00 0.00 N ATOM 478 CA PRO A 428 -7.314 -11.062 4.232 1.00 0.00 C ATOM 479 C PRO A 428 -6.591 -9.800 3.769 1.00 0.00 C ATOM 480 O PRO A 428 -5.561 -9.422 4.326 1.00 0.00 O ATOM 481 CB PRO A 428 -8.641 -10.702 4.901 1.00 0.00 C ATOM 482 CG PRO A 428 -8.826 -11.740 5.953 1.00 0.00 C ATOM 483 CD PRO A 428 -7.446 -12.085 6.442 1.00 0.00 C ATOM 0 HA PRO A 428 -7.425 -11.672 3.335 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.609 -9.702 5.333 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.462 -10.713 4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -9.446 -11.364 6.767 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -9.328 -12.619 5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -7.174 -11.500 7.321 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -7.371 -13.136 6.722 1.00 0.00 H new ATOM 491 N ARG A 429 -7.138 -9.154 2.745 1.00 0.00 N ATOM 492 CA ARG A 429 -6.546 -7.935 2.206 1.00 0.00 C ATOM 493 C ARG A 429 -7.332 -6.705 2.645 1.00 0.00 C ATOM 494 O ARG A 429 -8.560 -6.680 2.568 1.00 0.00 O ATOM 495 CB ARG A 429 -6.492 -8.002 0.678 1.00 0.00 C ATOM 496 CG ARG A 429 -5.271 -8.732 0.143 1.00 0.00 C ATOM 497 CD ARG A 429 -5.427 -9.073 -1.330 1.00 0.00 C ATOM 498 NE ARG A 429 -4.273 -9.805 -1.848 1.00 0.00 N ATOM 499 CZ ARG A 429 -4.290 -10.516 -2.974 1.00 0.00 C ATOM 500 NH1 ARG A 429 -5.397 -10.593 -3.702 1.00 0.00 N ATOM 501 NH2 ARG A 429 -3.196 -11.149 -3.373 1.00 0.00 N ATOM 0 H ARG A 429 -7.990 -9.454 2.272 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.532 -7.852 2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -7.391 -8.499 0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -6.503 -6.988 0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -4.385 -8.112 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.113 -9.647 0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.328 -9.670 -1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -5.561 -8.155 -1.902 1.00 0.00 H new ATOM 0 HE ARG A 429 -3.404 -9.769 -1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -6.241 -10.106 -3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -5.404 -11.139 -4.563 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -2.342 -11.091 -2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -3.208 -11.694 -4.235 1.00 0.00 H new ATOM 515 N SER A 430 -6.615 -5.684 3.104 1.00 0.00 N ATOM 516 CA SER A 430 -7.245 -4.447 3.555 1.00 0.00 C ATOM 517 C SER A 430 -6.737 -3.257 2.749 1.00 0.00 C ATOM 518 O SER A 430 -5.628 -3.281 2.217 1.00 0.00 O ATOM 519 CB SER A 430 -6.972 -4.225 5.045 1.00 0.00 C ATOM 520 OG SER A 430 -7.034 -5.445 5.762 1.00 0.00 O ATOM 0 H SER A 430 -5.597 -5.688 3.174 1.00 0.00 H new ATOM 0 HA SER A 430 -8.320 -4.536 3.401 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.989 -3.773 5.174 1.00 0.00 H new ATOM 0 HB3 SER A 430 -7.701 -3.524 5.451 1.00 0.00 H new ATOM 0 HG SER A 430 -6.854 -5.276 6.711 1.00 0.00 H new ATOM 526 N TYR A 431 -7.557 -2.214 2.663 1.00 0.00 N ATOM 527 CA TYR A 431 -7.191 -1.014 1.920 1.00 0.00 C ATOM 528 C TYR A 431 -7.372 0.235 2.777 1.00 0.00 C ATOM 529 O TYR A 431 -8.364 0.368 3.495 1.00 0.00 O ATOM 530 CB TYR A 431 -8.032 -0.901 0.647 1.00 0.00 C ATOM 531 CG TYR A 431 -7.901 -2.094 -0.272 1.00 0.00 C ATOM 532 CD1 TYR A 431 -8.712 -3.212 -0.110 1.00 0.00 C ATOM 533 CD2 TYR A 431 -6.970 -2.104 -1.303 1.00 0.00 C ATOM 534 CE1 TYR A 431 -8.596 -4.304 -0.948 1.00 0.00 C ATOM 535 CE2 TYR A 431 -6.849 -3.192 -2.146 1.00 0.00 C ATOM 536 CZ TYR A 431 -7.665 -4.289 -1.964 1.00 0.00 C ATOM 537 OH TYR A 431 -7.547 -5.375 -2.801 1.00 0.00 O ATOM 0 H TYR A 431 -8.479 -2.176 3.098 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.139 -1.094 1.646 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.079 -0.779 0.923 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -7.738 -0.002 0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -9.444 -3.227 0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -6.330 -1.246 -1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -9.232 -5.166 -0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -6.120 -3.184 -2.943 1.00 0.00 H new ATOM 0 HH TYR A 431 -6.846 -5.203 -3.463 1.00 0.00 H new ATOM 547 N TYR A 432 -6.411 1.148 2.694 1.00 0.00 N ATOM 548 CA TYR A 432 -6.463 2.388 3.459 1.00 0.00 C ATOM 549 C TYR A 432 -6.343 3.599 2.539 1.00 0.00 C ATOM 550 O TYR A 432 -6.071 3.459 1.347 1.00 0.00 O ATOM 551 CB TYR A 432 -5.348 2.413 4.505 1.00 0.00 C ATOM 552 CG TYR A 432 -5.442 1.294 5.516 1.00 0.00 C ATOM 553 CD1 TYR A 432 -5.084 -0.007 5.178 1.00 0.00 C ATOM 554 CD2 TYR A 432 -5.890 1.535 6.808 1.00 0.00 C ATOM 555 CE1 TYR A 432 -5.172 -1.033 6.100 1.00 0.00 C ATOM 556 CE2 TYR A 432 -5.980 0.514 7.736 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.620 -0.767 7.376 1.00 0.00 C ATOM 558 OH TYR A 432 -5.708 -1.786 8.296 1.00 0.00 O ATOM 0 H TYR A 432 -5.585 1.052 2.103 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.427 2.434 3.966 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.385 2.354 3.998 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.374 3.368 5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -4.732 -0.219 4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -6.173 2.538 7.093 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -4.891 -2.038 5.822 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -6.330 0.719 8.737 1.00 0.00 H new ATOM 0 HH TYR A 432 -6.040 -1.431 9.147 1.00 0.00 H new ATOM 568 N LYS A 433 -6.548 4.786 3.099 1.00 0.00 N ATOM 569 CA LYS A 433 -6.462 6.019 2.325 1.00 0.00 C ATOM 570 C LYS A 433 -6.116 7.206 3.217 1.00 0.00 C ATOM 571 O LYS A 433 -6.758 7.433 4.243 1.00 0.00 O ATOM 572 CB LYS A 433 -7.784 6.281 1.599 1.00 0.00 C ATOM 573 CG LYS A 433 -8.979 6.388 2.532 1.00 0.00 C ATOM 574 CD LYS A 433 -9.774 7.660 2.278 1.00 0.00 C ATOM 575 CE LYS A 433 -10.602 7.556 1.007 1.00 0.00 C ATOM 576 NZ LYS A 433 -11.985 7.078 1.282 1.00 0.00 N ATOM 0 H LYS A 433 -6.775 4.921 4.084 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.666 5.900 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.697 7.204 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.962 5.477 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.626 5.521 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.636 6.373 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -10.430 7.855 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -9.092 8.507 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -10.645 8.531 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -10.114 6.874 0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -12.516 7.021 0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -11.946 6.137 1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -12.460 7.742 1.926 1.00 0.00 H new ATOM 590 N CYS A 434 -5.098 7.962 2.817 1.00 0.00 N ATOM 591 CA CYS A 434 -4.665 9.129 3.577 1.00 0.00 C ATOM 592 C CYS A 434 -5.768 10.181 3.624 1.00 0.00 C ATOM 593 O CYS A 434 -6.002 10.894 2.647 1.00 0.00 O ATOM 594 CB CYS A 434 -3.398 9.724 2.955 1.00 0.00 C ATOM 595 SG CYS A 434 -2.489 10.839 4.048 1.00 0.00 S ATOM 0 H CYS A 434 -4.557 7.787 1.970 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.445 8.813 4.597 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.738 8.910 2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.671 10.265 2.049 1.00 0.00 H new ATOM 600 N THR A 435 -6.450 10.268 4.763 1.00 0.00 N ATOM 601 CA THR A 435 -7.535 11.228 4.935 1.00 0.00 C ATOM 602 C THR A 435 -7.069 12.463 5.702 1.00 0.00 C ATOM 603 O THR A 435 -7.449 12.672 6.854 1.00 0.00 O ATOM 604 CB THR A 435 -8.728 10.597 5.676 1.00 0.00 C ATOM 605 OG1 THR A 435 -8.389 10.368 7.048 1.00 0.00 O ATOM 606 CG2 THR A 435 -9.138 9.285 5.025 1.00 0.00 C ATOM 0 H THR A 435 -6.270 9.685 5.580 1.00 0.00 H new ATOM 0 HA THR A 435 -7.851 11.527 3.936 1.00 0.00 H new ATOM 0 HB THR A 435 -9.567 11.290 5.621 1.00 0.00 H new ATOM 0 HG1 THR A 435 -8.262 11.227 7.501 1.00 0.00 H new ATOM 0 HG21 THR A 435 -9.983 8.859 5.566 1.00 0.00 H new ATOM 0 HG22 THR A 435 -9.425 9.467 3.989 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.300 8.588 5.052 1.00 0.00 H new ATOM 614 N THR A 436 -6.248 13.281 5.054 1.00 0.00 N ATOM 615 CA THR A 436 -5.736 14.498 5.672 1.00 0.00 C ATOM 616 C THR A 436 -6.523 15.719 5.197 1.00 0.00 C ATOM 617 O THR A 436 -7.209 15.663 4.177 1.00 0.00 O ATOM 618 CB THR A 436 -4.238 14.702 5.361 1.00 0.00 C ATOM 619 OG1 THR A 436 -3.728 13.568 4.649 1.00 0.00 O ATOM 620 CG2 THR A 436 -3.437 14.899 6.639 1.00 0.00 C ATOM 0 H THR A 436 -5.922 13.123 4.100 1.00 0.00 H new ATOM 0 HA THR A 436 -5.856 14.387 6.750 1.00 0.00 H new ATOM 0 HB THR A 436 -4.139 15.597 4.747 1.00 0.00 H new ATOM 0 HG1 THR A 436 -2.800 13.739 4.383 1.00 0.00 H new ATOM 0 HG21 THR A 436 -2.385 15.040 6.391 1.00 0.00 H new ATOM 0 HG22 THR A 436 -3.806 15.777 7.168 1.00 0.00 H new ATOM 0 HG23 THR A 436 -3.545 14.020 7.275 1.00 0.00 H new ATOM 628 N PRO A 437 -6.436 16.842 5.931 1.00 0.00 N ATOM 629 CA PRO A 437 -7.147 18.074 5.573 1.00 0.00 C ATOM 630 C PRO A 437 -6.877 18.499 4.133 1.00 0.00 C ATOM 631 O PRO A 437 -5.942 19.252 3.862 1.00 0.00 O ATOM 632 CB PRO A 437 -6.586 19.108 6.551 1.00 0.00 C ATOM 633 CG PRO A 437 -6.129 18.310 7.722 1.00 0.00 C ATOM 634 CD PRO A 437 -5.642 17.002 7.163 1.00 0.00 C ATOM 0 HA PRO A 437 -8.228 17.954 5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -5.762 19.667 6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -7.346 19.834 6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -5.333 18.826 8.260 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -6.943 18.154 8.430 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -4.573 17.028 6.952 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -5.809 16.180 7.859 1.00 0.00 H new ATOM 642 N GLY A 438 -7.701 18.008 3.213 1.00 0.00 N ATOM 643 CA GLY A 438 -7.534 18.345 1.812 1.00 0.00 C ATOM 644 C GLY A 438 -6.891 17.224 1.018 1.00 0.00 C ATOM 645 O GLY A 438 -7.078 17.129 -0.194 1.00 0.00 O ATOM 0 H GLY A 438 -8.482 17.383 3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -8.507 18.581 1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.922 19.243 1.728 1.00 0.00 H new ATOM 649 N CYS A 439 -6.129 16.377 1.703 1.00 0.00 N ATOM 650 CA CYS A 439 -5.454 15.259 1.053 1.00 0.00 C ATOM 651 C CYS A 439 -6.377 14.047 0.955 1.00 0.00 C ATOM 652 O CYS A 439 -7.012 13.656 1.933 1.00 0.00 O ATOM 653 CB CYS A 439 -4.185 14.888 1.821 1.00 0.00 C ATOM 654 SG CYS A 439 -3.262 13.506 1.105 1.00 0.00 S ATOM 0 H CYS A 439 -5.964 16.443 2.707 1.00 0.00 H new ATOM 0 HA CYS A 439 -5.183 15.568 0.043 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.533 15.761 1.867 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.455 14.637 2.847 1.00 0.00 H new ATOM 659 N GLY A 440 -6.442 13.457 -0.234 1.00 0.00 N ATOM 660 CA GLY A 440 -7.284 12.293 -0.442 1.00 0.00 C ATOM 661 C GLY A 440 -6.572 11.195 -1.208 1.00 0.00 C ATOM 662 O GLY A 440 -6.977 10.835 -2.313 1.00 0.00 O ATOM 0 H GLY A 440 -5.926 13.765 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.610 11.906 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -8.181 12.589 -0.986 1.00 0.00 H new ATOM 666 N VAL A 441 -5.504 10.664 -0.620 1.00 0.00 N ATOM 667 CA VAL A 441 -4.730 9.603 -1.253 1.00 0.00 C ATOM 668 C VAL A 441 -5.231 8.227 -0.832 1.00 0.00 C ATOM 669 O VAL A 441 -5.806 8.066 0.245 1.00 0.00 O ATOM 670 CB VAL A 441 -3.232 9.718 -0.910 1.00 0.00 C ATOM 671 CG1 VAL A 441 -2.420 8.701 -1.697 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.729 11.130 -1.174 1.00 0.00 C ATOM 0 H VAL A 441 -5.155 10.952 0.294 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.860 9.719 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 441 -3.107 9.504 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -1.365 8.800 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.761 7.695 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -2.551 8.878 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.669 11.191 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.870 11.376 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -3.287 11.836 -0.559 1.00 0.00 H new ATOM 682 N ARG A 442 -5.009 7.234 -1.688 1.00 0.00 N ATOM 683 CA ARG A 442 -5.437 5.869 -1.406 1.00 0.00 C ATOM 684 C ARG A 442 -4.282 4.888 -1.581 1.00 0.00 C ATOM 685 O ARG A 442 -3.398 5.098 -2.411 1.00 0.00 O ATOM 686 CB ARG A 442 -6.597 5.476 -2.321 1.00 0.00 C ATOM 687 CG ARG A 442 -7.809 6.386 -2.192 1.00 0.00 C ATOM 688 CD ARG A 442 -9.041 5.767 -2.831 1.00 0.00 C ATOM 689 NE ARG A 442 -9.266 6.267 -4.185 1.00 0.00 N ATOM 690 CZ ARG A 442 -10.042 5.661 -5.080 1.00 0.00 C ATOM 691 NH1 ARG A 442 -10.669 4.533 -4.770 1.00 0.00 N ATOM 692 NH2 ARG A 442 -10.194 6.186 -6.289 1.00 0.00 N ATOM 0 H ARG A 442 -4.535 7.350 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.771 5.828 -0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -6.253 5.487 -3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.896 4.452 -2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -8.005 6.585 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.597 7.346 -2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.929 4.683 -2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -9.915 5.981 -2.216 1.00 0.00 H new ATOM 0 HE ARG A 442 -8.801 7.132 -4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -10.557 4.126 -3.841 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -11.263 4.073 -5.460 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -9.716 7.054 -6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -10.789 5.722 -6.975 1.00 0.00 H new ATOM 706 N LYS A 443 -4.296 3.818 -0.793 1.00 0.00 N ATOM 707 CA LYS A 443 -3.249 2.805 -0.862 1.00 0.00 C ATOM 708 C LYS A 443 -3.835 1.405 -0.703 1.00 0.00 C ATOM 709 O LYS A 443 -4.940 1.238 -0.187 1.00 0.00 O ATOM 710 CB LYS A 443 -2.197 3.055 0.219 1.00 0.00 C ATOM 711 CG LYS A 443 -2.726 2.897 1.636 1.00 0.00 C ATOM 712 CD LYS A 443 -1.651 3.180 2.670 1.00 0.00 C ATOM 713 CE LYS A 443 -1.119 1.897 3.289 1.00 0.00 C ATOM 714 NZ LYS A 443 -1.946 1.456 4.446 1.00 0.00 N ATOM 0 H LYS A 443 -5.020 3.630 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.777 2.873 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -1.367 2.365 0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.799 4.063 0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.566 3.575 1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -3.105 1.884 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.832 3.727 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -2.057 3.821 3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -1.100 1.110 2.535 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -0.090 2.050 3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -1.382 0.832 5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -2.254 2.287 4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -2.780 0.940 4.100 1.00 0.00 H new ATOM 728 N HIS A 444 -3.086 0.402 -1.150 1.00 0.00 N ATOM 729 CA HIS A 444 -3.531 -0.985 -1.058 1.00 0.00 C ATOM 730 C HIS A 444 -2.526 -1.824 -0.274 1.00 0.00 C ATOM 731 O HIS A 444 -1.351 -1.897 -0.632 1.00 0.00 O ATOM 732 CB HIS A 444 -3.725 -1.575 -2.455 1.00 0.00 C ATOM 733 CG HIS A 444 -4.461 -0.667 -3.392 1.00 0.00 C ATOM 734 ND1 HIS A 444 -5.371 0.306 -3.151 1.00 0.00 N flip ATOM 735 CD2 HIS A 444 -4.295 -0.704 -4.760 1.00 0.00 C flip ATOM 736 CE1 HIS A 444 -5.734 0.833 -4.366 1.00 0.00 C flip ATOM 737 NE2 HIS A 444 -5.070 0.209 -5.321 1.00 0.00 N flip ATOM 0 H HIS A 444 -2.169 0.523 -1.579 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.485 -1.002 -0.530 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.749 -1.809 -2.880 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -4.270 -2.515 -2.371 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -3.635 -1.374 -5.291 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -6.448 1.630 -4.516 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -5.142 0.399 -6.321 1.00 0.00 H new ATOM 746 N VAL A 445 -2.997 -2.456 0.795 1.00 0.00 N ATOM 747 CA VAL A 445 -2.141 -3.291 1.629 1.00 0.00 C ATOM 748 C VAL A 445 -2.532 -4.761 1.522 1.00 0.00 C ATOM 749 O VAL A 445 -3.714 -5.102 1.535 1.00 0.00 O ATOM 750 CB VAL A 445 -2.204 -2.863 3.107 1.00 0.00 C ATOM 751 CG1 VAL A 445 -1.161 -3.608 3.925 1.00 0.00 C ATOM 752 CG2 VAL A 445 -2.019 -1.358 3.235 1.00 0.00 C ATOM 0 H VAL A 445 -3.968 -2.406 1.105 1.00 0.00 H new ATOM 0 HA VAL A 445 -1.122 -3.160 1.263 1.00 0.00 H new ATOM 0 HB VAL A 445 -3.188 -3.120 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -1.221 -3.292 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.346 -4.680 3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.167 -3.387 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -2.066 -1.074 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.049 -1.075 2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.809 -0.846 2.685 1.00 0.00 H new ATOM 762 N GLU A 446 -1.530 -5.628 1.416 1.00 0.00 N ATOM 763 CA GLU A 446 -1.770 -7.062 1.305 1.00 0.00 C ATOM 764 C GLU A 446 -0.720 -7.851 2.082 1.00 0.00 C ATOM 765 O GLU A 446 0.472 -7.551 2.015 1.00 0.00 O ATOM 766 CB GLU A 446 -1.763 -7.492 -0.163 1.00 0.00 C ATOM 767 CG GLU A 446 -2.540 -6.556 -1.075 1.00 0.00 C ATOM 768 CD GLU A 446 -2.259 -6.808 -2.544 1.00 0.00 C ATOM 769 OE1 GLU A 446 -2.819 -7.777 -3.098 1.00 0.00 O ATOM 770 OE2 GLU A 446 -1.479 -6.035 -3.140 1.00 0.00 O ATOM 0 H GLU A 446 -0.545 -5.363 1.405 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.750 -7.274 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -0.732 -7.551 -0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -2.184 -8.494 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -3.607 -6.675 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -2.286 -5.524 -0.832 1.00 0.00 H new ATOM 777 N ARG A 447 -1.171 -8.862 2.819 1.00 0.00 N ATOM 778 CA ARG A 447 -0.272 -9.693 3.609 1.00 0.00 C ATOM 779 C ARG A 447 0.026 -11.006 2.889 1.00 0.00 C ATOM 780 O ARG A 447 -0.678 -11.998 3.072 1.00 0.00 O ATOM 781 CB ARG A 447 -0.881 -9.977 4.984 1.00 0.00 C ATOM 782 CG ARG A 447 -0.407 -9.022 6.067 1.00 0.00 C ATOM 783 CD ARG A 447 -0.598 -9.614 7.454 1.00 0.00 C ATOM 784 NE ARG A 447 -0.142 -8.707 8.505 1.00 0.00 N ATOM 785 CZ ARG A 447 -0.848 -7.668 8.944 1.00 0.00 C ATOM 786 NH1 ARG A 447 -2.041 -7.400 8.428 1.00 0.00 N ATOM 787 NH2 ARG A 447 -0.360 -6.894 9.904 1.00 0.00 N ATOM 0 H ARG A 447 -2.154 -9.125 2.885 1.00 0.00 H new ATOM 0 HA ARG A 447 0.664 -9.150 3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.967 -9.920 4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -0.635 -10.997 5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 447 0.646 -8.788 5.912 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -0.956 -8.084 5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -1.652 -9.845 7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.052 -10.555 7.525 1.00 0.00 H new ATOM 0 HE ARG A 447 0.770 -8.880 8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -2.422 -7.992 7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -2.577 -6.602 8.769 1.00 0.00 H new ATOM 0 HH21 ARG A 447 0.556 -7.095 10.305 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -0.901 -6.097 10.241 1.00 0.00 H new ATOM 801 N ALA A 448 1.073 -11.001 2.071 1.00 0.00 N ATOM 802 CA ALA A 448 1.463 -12.192 1.326 1.00 0.00 C ATOM 803 C ALA A 448 1.802 -13.343 2.267 1.00 0.00 C ATOM 804 O ALA A 448 2.734 -13.253 3.066 1.00 0.00 O ATOM 805 CB ALA A 448 2.648 -11.880 0.419 1.00 0.00 C ATOM 0 H ALA A 448 1.666 -10.187 1.907 1.00 0.00 H new ATOM 0 HA ALA A 448 0.618 -12.500 0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 448 2.930 -12.777 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 448 2.371 -11.094 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 448 3.491 -11.545 1.024 1.00 0.00 H new ATOM 811 N ALA A 449 1.035 -14.425 2.168 1.00 0.00 N ATOM 812 CA ALA A 449 1.248 -15.596 3.009 1.00 0.00 C ATOM 813 C ALA A 449 2.260 -16.551 2.383 1.00 0.00 C ATOM 814 O ALA A 449 2.898 -17.338 3.084 1.00 0.00 O ATOM 815 CB ALA A 449 -0.070 -16.311 3.260 1.00 0.00 C ATOM 0 H ALA A 449 0.259 -14.514 1.512 1.00 0.00 H new ATOM 0 HA ALA A 449 1.654 -15.257 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 449 0.104 -17.184 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.762 -15.634 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.498 -16.629 2.309 1.00 0.00 H new ATOM 821 N THR A 450 2.403 -16.481 1.062 1.00 0.00 N ATOM 822 CA THR A 450 3.338 -17.341 0.345 1.00 0.00 C ATOM 823 C THR A 450 4.732 -17.278 0.959 1.00 0.00 C ATOM 824 O THR A 450 5.431 -18.287 1.045 1.00 0.00 O ATOM 825 CB THR A 450 3.429 -16.955 -1.144 1.00 0.00 C ATOM 826 OG1 THR A 450 3.878 -15.601 -1.272 1.00 0.00 O ATOM 827 CG2 THR A 450 2.079 -17.112 -1.826 1.00 0.00 C ATOM 0 H THR A 450 1.882 -15.837 0.467 1.00 0.00 H new ATOM 0 HA THR A 450 2.954 -18.358 0.428 1.00 0.00 H new ATOM 0 HB THR A 450 4.143 -17.622 -1.627 1.00 0.00 H new ATOM 0 HG1 THR A 450 3.935 -15.364 -2.221 1.00 0.00 H new ATOM 0 HG21 THR A 450 2.167 -16.834 -2.876 1.00 0.00 H new ATOM 0 HG22 THR A 450 1.752 -18.149 -1.752 1.00 0.00 H new ATOM 0 HG23 THR A 450 1.348 -16.466 -1.340 1.00 0.00 H new ATOM 835 N ASP A 451 5.130 -16.085 1.387 1.00 0.00 N ATOM 836 CA ASP A 451 6.440 -15.889 1.997 1.00 0.00 C ATOM 837 C ASP A 451 6.327 -15.847 3.521 1.00 0.00 C ATOM 838 O ASP A 451 5.237 -15.668 4.065 1.00 0.00 O ATOM 839 CB ASP A 451 7.078 -14.597 1.482 1.00 0.00 C ATOM 840 CG ASP A 451 8.443 -14.831 0.865 1.00 0.00 C ATOM 841 OD1 ASP A 451 8.574 -15.769 0.051 1.00 0.00 O ATOM 842 OD2 ASP A 451 9.381 -14.077 1.199 1.00 0.00 O ATOM 0 H ASP A 451 4.564 -15.239 1.323 1.00 0.00 H new ATOM 0 HA ASP A 451 7.074 -16.731 1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 451 6.421 -14.141 0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.171 -13.888 2.305 1.00 0.00 H new ATOM 847 N PRO A 452 7.457 -16.011 4.232 1.00 0.00 N ATOM 848 CA PRO A 452 7.476 -15.992 5.698 1.00 0.00 C ATOM 849 C PRO A 452 6.761 -14.772 6.270 1.00 0.00 C ATOM 850 O PRO A 452 6.200 -14.826 7.365 1.00 0.00 O ATOM 851 CB PRO A 452 8.968 -15.942 6.031 1.00 0.00 C ATOM 852 CG PRO A 452 9.636 -16.582 4.864 1.00 0.00 C ATOM 853 CD PRO A 452 8.801 -16.229 3.664 1.00 0.00 C ATOM 0 HA PRO A 452 6.958 -16.851 6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 452 9.309 -14.916 6.169 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.186 -16.477 6.955 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.657 -16.217 4.750 1.00 0.00 H new ATOM 0 HG3 PRO A 452 9.696 -17.663 4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 452 9.175 -15.336 3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 452 8.800 -17.031 2.926 1.00 0.00 H new ATOM 861 N LYS A 453 6.782 -13.674 5.520 1.00 0.00 N ATOM 862 CA LYS A 453 6.136 -12.440 5.950 1.00 0.00 C ATOM 863 C LYS A 453 6.311 -11.343 4.903 1.00 0.00 C ATOM 864 O LYS A 453 7.148 -10.453 5.053 1.00 0.00 O ATOM 865 CB LYS A 453 6.704 -11.980 7.297 1.00 0.00 C ATOM 866 CG LYS A 453 5.636 -11.670 8.332 1.00 0.00 C ATOM 867 CD LYS A 453 5.287 -10.190 8.346 1.00 0.00 C ATOM 868 CE LYS A 453 4.001 -9.913 7.584 1.00 0.00 C ATOM 869 NZ LYS A 453 2.813 -10.491 8.272 1.00 0.00 N ATOM 0 H LYS A 453 7.240 -13.615 4.611 1.00 0.00 H new ATOM 0 HA LYS A 453 5.070 -12.638 6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 453 7.363 -12.755 7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.315 -11.091 7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 453 4.741 -12.254 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 453 5.986 -11.972 9.319 1.00 0.00 H new ATOM 0 HD2 LYS A 453 5.181 -9.850 9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 453 6.103 -9.619 7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 453 3.869 -8.837 7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 453 4.077 -10.329 6.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 2.099 -10.760 7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 3.100 -11.332 8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 2.409 -9.785 8.920 1.00 0.00 H new ATOM 883 N ALA A 454 5.518 -11.417 3.838 1.00 0.00 N ATOM 884 CA ALA A 454 5.588 -10.431 2.766 1.00 0.00 C ATOM 885 C ALA A 454 4.475 -9.399 2.895 1.00 0.00 C ATOM 886 O ALA A 454 3.308 -9.748 3.069 1.00 0.00 O ATOM 887 CB ALA A 454 5.517 -11.121 1.411 1.00 0.00 C ATOM 0 H ALA A 454 4.821 -12.148 3.695 1.00 0.00 H new ATOM 0 HA ALA A 454 6.541 -9.909 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 454 5.570 -10.374 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 454 6.352 -11.815 1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 454 4.578 -11.669 1.330 1.00 0.00 H new ATOM 893 N VAL A 455 4.844 -8.124 2.811 1.00 0.00 N ATOM 894 CA VAL A 455 3.878 -7.040 2.918 1.00 0.00 C ATOM 895 C VAL A 455 3.996 -6.081 1.738 1.00 0.00 C ATOM 896 O VAL A 455 4.797 -5.147 1.762 1.00 0.00 O ATOM 897 CB VAL A 455 4.063 -6.249 4.228 1.00 0.00 C ATOM 898 CG1 VAL A 455 2.944 -5.232 4.403 1.00 0.00 C ATOM 899 CG2 VAL A 455 4.125 -7.193 5.420 1.00 0.00 C ATOM 0 H VAL A 455 5.807 -7.818 2.669 1.00 0.00 H new ATOM 0 HA VAL A 455 2.888 -7.497 2.915 1.00 0.00 H new ATOM 0 HB VAL A 455 5.008 -5.709 4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 455 3.093 -4.684 5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 455 2.952 -4.534 3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 455 1.985 -5.749 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 455 4.256 -6.615 6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 455 3.198 -7.764 5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 455 4.965 -7.877 5.299 1.00 0.00 H new ATOM 909 N VAL A 456 3.193 -6.319 0.707 1.00 0.00 N ATOM 910 CA VAL A 456 3.208 -5.477 -0.484 1.00 0.00 C ATOM 911 C VAL A 456 2.221 -4.320 -0.351 1.00 0.00 C ATOM 912 O VAL A 456 1.044 -4.526 -0.054 1.00 0.00 O ATOM 913 CB VAL A 456 2.871 -6.288 -1.751 1.00 0.00 C ATOM 914 CG1 VAL A 456 1.473 -6.881 -1.656 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.008 -5.422 -2.994 1.00 0.00 C ATOM 0 H VAL A 456 2.524 -7.088 0.672 1.00 0.00 H new ATOM 0 HA VAL A 456 4.218 -5.078 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 456 3.582 -7.110 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.256 -7.449 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.416 -7.541 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 456 0.744 -6.078 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 456 2.766 -6.013 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.325 -4.576 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.032 -5.056 -3.072 1.00 0.00 H new ATOM 925 N THR A 457 2.709 -3.105 -0.573 1.00 0.00 N ATOM 926 CA THR A 457 1.871 -1.916 -0.479 1.00 0.00 C ATOM 927 C THR A 457 1.968 -1.071 -1.745 1.00 0.00 C ATOM 928 O THR A 457 3.021 -1.005 -2.379 1.00 0.00 O ATOM 929 CB THR A 457 2.261 -1.047 0.731 1.00 0.00 C ATOM 930 OG1 THR A 457 2.504 -1.880 1.874 1.00 0.00 O ATOM 931 CG2 THR A 457 1.164 -0.044 1.055 1.00 0.00 C ATOM 0 H THR A 457 3.681 -2.918 -0.819 1.00 0.00 H new ATOM 0 HA THR A 457 0.846 -2.264 -0.354 1.00 0.00 H new ATOM 0 HB THR A 457 3.169 -0.499 0.479 1.00 0.00 H new ATOM 0 HG1 THR A 457 2.753 -1.321 2.639 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.463 0.558 1.913 1.00 0.00 H new ATOM 0 HG22 THR A 457 1.000 0.606 0.196 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.242 -0.576 1.289 1.00 0.00 H new ATOM 939 N THR A 458 0.863 -0.428 -2.106 1.00 0.00 N ATOM 940 CA THR A 458 0.823 0.413 -3.297 1.00 0.00 C ATOM 941 C THR A 458 0.240 1.785 -2.979 1.00 0.00 C ATOM 942 O THR A 458 -0.656 1.910 -2.144 1.00 0.00 O ATOM 943 CB THR A 458 -0.007 -0.239 -4.418 1.00 0.00 C ATOM 944 OG1 THR A 458 0.192 -1.658 -4.415 1.00 0.00 O ATOM 945 CG2 THR A 458 0.376 0.329 -5.776 1.00 0.00 C ATOM 0 H THR A 458 -0.017 -0.473 -1.591 1.00 0.00 H new ATOM 0 HA THR A 458 1.852 0.528 -3.639 1.00 0.00 H new ATOM 0 HB THR A 458 -1.059 -0.020 -4.234 1.00 0.00 H new ATOM 0 HG1 THR A 458 -0.341 -2.065 -5.130 1.00 0.00 H new ATOM 0 HG21 THR A 458 -0.224 -0.147 -6.552 1.00 0.00 H new ATOM 0 HG22 THR A 458 0.194 1.404 -5.785 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.432 0.138 -5.966 1.00 0.00 H new ATOM 953 N TYR A 459 0.754 2.811 -3.648 1.00 0.00 N ATOM 954 CA TYR A 459 0.283 4.176 -3.437 1.00 0.00 C ATOM 955 C TYR A 459 -0.423 4.709 -4.677 1.00 0.00 C ATOM 956 O TYR A 459 -0.028 4.413 -5.805 1.00 0.00 O ATOM 957 CB TYR A 459 1.454 5.089 -3.069 1.00 0.00 C ATOM 958 CG TYR A 459 1.692 5.196 -1.580 1.00 0.00 C ATOM 959 CD1 TYR A 459 1.652 4.070 -0.768 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.957 6.423 -0.986 1.00 0.00 C ATOM 961 CE1 TYR A 459 1.869 4.165 0.594 1.00 0.00 C ATOM 962 CE2 TYR A 459 2.175 6.526 0.375 1.00 0.00 C ATOM 963 CZ TYR A 459 2.129 5.394 1.160 1.00 0.00 C ATOM 964 OH TYR A 459 2.346 5.492 2.515 1.00 0.00 O ATOM 0 H TYR A 459 1.497 2.724 -4.341 1.00 0.00 H new ATOM 0 HA TYR A 459 -0.432 4.163 -2.615 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.359 4.716 -3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.268 6.085 -3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 459 1.448 3.105 -1.208 1.00 0.00 H new ATOM 0 HD2 TYR A 459 1.993 7.312 -1.598 1.00 0.00 H new ATOM 0 HE1 TYR A 459 1.835 3.280 1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 459 2.380 7.488 0.821 1.00 0.00 H new ATOM 0 HH TYR A 459 1.492 5.639 2.973 1.00 0.00 H new ATOM 974 N GLU A 460 -1.470 5.498 -4.463 1.00 0.00 N ATOM 975 CA GLU A 460 -2.233 6.074 -5.563 1.00 0.00 C ATOM 976 C GLU A 460 -2.506 7.556 -5.319 1.00 0.00 C ATOM 977 O GLU A 460 -3.542 7.924 -4.764 1.00 0.00 O ATOM 978 CB GLU A 460 -3.555 5.324 -5.742 1.00 0.00 C ATOM 979 CG GLU A 460 -3.457 4.137 -6.687 1.00 0.00 C ATOM 980 CD GLU A 460 -4.725 3.928 -7.492 1.00 0.00 C ATOM 981 OE1 GLU A 460 -5.787 4.427 -7.067 1.00 0.00 O ATOM 982 OE2 GLU A 460 -4.655 3.263 -8.548 1.00 0.00 O ATOM 0 H GLU A 460 -1.810 5.753 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 460 -1.641 5.976 -6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.900 4.976 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -4.308 6.016 -6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -2.619 4.287 -7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -3.243 3.236 -6.112 1.00 0.00 H new ATOM 989 N GLY A 461 -1.569 8.400 -5.736 1.00 0.00 N ATOM 990 CA GLY A 461 -1.727 9.831 -5.555 1.00 0.00 C ATOM 991 C GLY A 461 -0.561 10.454 -4.811 1.00 0.00 C ATOM 992 O GLY A 461 0.244 9.748 -4.205 1.00 0.00 O ATOM 0 H GLY A 461 -0.703 8.119 -6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.829 10.308 -6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.649 10.025 -5.007 1.00 0.00 H new ATOM 996 N LYS A 462 -0.470 11.779 -4.859 1.00 0.00 N ATOM 997 CA LYS A 462 0.607 12.496 -4.185 1.00 0.00 C ATOM 998 C LYS A 462 0.075 13.276 -2.986 1.00 0.00 C ATOM 999 O LYS A 462 -1.091 13.670 -2.958 1.00 0.00 O ATOM 1000 CB LYS A 462 1.302 13.448 -5.160 1.00 0.00 C ATOM 1001 CG LYS A 462 2.089 12.736 -6.248 1.00 0.00 C ATOM 1002 CD LYS A 462 1.393 12.832 -7.596 1.00 0.00 C ATOM 1003 CE LYS A 462 2.389 13.052 -8.723 1.00 0.00 C ATOM 1004 NZ LYS A 462 3.126 14.335 -8.572 1.00 0.00 N ATOM 0 H LYS A 462 -1.128 12.378 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 462 1.329 11.763 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 462 0.553 14.089 -5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 462 1.976 14.098 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 462 3.086 13.171 -6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 462 2.218 11.688 -5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 462 0.829 11.918 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 462 0.675 13.652 -7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 462 3.100 12.226 -8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 462 1.863 13.046 -9.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 3.412 14.684 -9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 2.510 15.037 -8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 3.972 14.183 -7.987 1.00 0.00 H new ATOM 1018 N HIS A 463 0.938 13.496 -2.000 1.00 0.00 N ATOM 1019 CA HIS A 463 0.555 14.231 -0.800 1.00 0.00 C ATOM 1020 C HIS A 463 0.704 15.733 -1.010 1.00 0.00 C ATOM 1021 O HIS A 463 1.597 16.185 -1.727 1.00 0.00 O ATOM 1022 CB HIS A 463 1.408 13.783 0.389 1.00 0.00 C ATOM 1023 CG HIS A 463 1.170 12.363 0.797 1.00 0.00 C ATOM 1024 ND1 HIS A 463 0.126 11.976 1.609 1.00 0.00 N ATOM 1025 CD2 HIS A 463 1.848 11.229 0.498 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.170 10.670 1.794 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.207 10.191 1.129 1.00 0.00 N ATOM 0 H HIS A 463 1.907 13.176 -2.008 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.493 14.015 -0.590 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.461 13.908 0.137 1.00 0.00 H new ATOM 0 HB3 HIS A 463 1.204 14.435 1.238 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.729 11.155 -0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.523 10.092 2.387 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.486 9.211 1.091 1.00 0.00 H new ATOM 1035 N ASN A 464 -0.177 16.505 -0.380 1.00 0.00 N ATOM 1036 CA ASN A 464 -0.144 17.958 -0.501 1.00 0.00 C ATOM 1037 C ASN A 464 -0.121 18.618 0.875 1.00 0.00 C ATOM 1038 O ASN A 464 -0.622 19.729 1.048 1.00 0.00 O ATOM 1039 CB ASN A 464 -1.352 18.453 -1.296 1.00 0.00 C ATOM 1040 CG ASN A 464 -1.250 18.118 -2.772 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -0.189 18.259 -3.379 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -2.356 17.671 -3.355 1.00 0.00 N ATOM 0 H ASN A 464 -0.922 16.148 0.219 1.00 0.00 H new ATOM 0 HA ASN A 464 0.768 18.232 -1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -2.259 18.008 -0.887 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -1.444 19.533 -1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -2.348 17.429 -4.346 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -3.214 17.570 -2.812 1.00 0.00 H new ATOM 1049 N HIS A 465 0.464 17.928 1.849 1.00 0.00 N ATOM 1050 CA HIS A 465 0.552 18.450 3.208 1.00 0.00 C ATOM 1051 C HIS A 465 1.860 18.031 3.868 1.00 0.00 C ATOM 1052 O HIS A 465 2.309 16.895 3.713 1.00 0.00 O ATOM 1053 CB HIS A 465 -0.635 17.966 4.043 1.00 0.00 C ATOM 1054 CG HIS A 465 -0.698 16.477 4.191 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.322 15.819 5.343 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.100 15.516 3.325 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -0.488 14.518 5.179 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -0.960 14.309 3.965 1.00 0.00 N ATOM 0 H HIS A 465 0.884 17.007 1.723 1.00 0.00 H new ATOM 0 HA HIS A 465 0.527 19.538 3.154 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -0.581 18.419 5.033 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -1.559 18.316 3.583 1.00 0.00 H new ATOM 0 HD1 HIS A 465 0.029 16.266 6.190 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.463 15.670 2.319 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.274 13.756 5.914 1.00 0.00 H new ATOM 1066 N ASP A 466 2.468 18.955 4.606 1.00 0.00 N ATOM 1067 CA ASP A 466 3.727 18.681 5.291 1.00 0.00 C ATOM 1068 C ASP A 466 3.584 17.501 6.246 1.00 0.00 C ATOM 1069 O ASP A 466 2.472 17.084 6.571 1.00 0.00 O ATOM 1070 CB ASP A 466 4.191 19.920 6.059 1.00 0.00 C ATOM 1071 CG ASP A 466 4.231 21.160 5.188 1.00 0.00 C ATOM 1072 OD1 ASP A 466 5.199 21.310 4.412 1.00 0.00 O ATOM 1073 OD2 ASP A 466 3.294 21.981 5.282 1.00 0.00 O ATOM 0 H ASP A 466 2.109 19.900 4.745 1.00 0.00 H new ATOM 0 HA ASP A 466 4.473 18.425 4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 466 3.522 20.093 6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 466 5.183 19.737 6.472 1.00 0.00 H new ATOM 1078 N LEU A 467 4.715 16.966 6.691 1.00 0.00 N ATOM 1079 CA LEU A 467 4.717 15.832 7.609 1.00 0.00 C ATOM 1080 C LEU A 467 4.259 16.260 9.003 1.00 0.00 C ATOM 1081 O LEU A 467 4.943 17.029 9.678 1.00 0.00 O ATOM 1082 CB LEU A 467 6.115 15.216 7.687 1.00 0.00 C ATOM 1083 CG LEU A 467 6.585 14.515 6.411 1.00 0.00 C ATOM 1084 CD1 LEU A 467 8.038 14.087 6.543 1.00 0.00 C ATOM 1085 CD2 LEU A 467 5.699 13.316 6.108 1.00 0.00 C ATOM 0 H LEU A 467 5.643 17.299 6.431 1.00 0.00 H new ATOM 0 HA LEU A 467 4.019 15.086 7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 467 6.828 16.002 7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 467 6.134 14.497 8.506 1.00 0.00 H new ATOM 0 HG LEU A 467 6.509 15.218 5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 467 8.356 13.590 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 467 8.662 14.964 6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 467 8.140 13.399 7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 467 6.046 12.828 5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 467 5.745 12.611 6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 467 4.670 13.649 5.971 1.00 0.00 H new ATOM 1097 N PRO A 468 3.092 15.767 9.459 1.00 0.00 N ATOM 1098 CA PRO A 468 2.554 16.109 10.779 1.00 0.00 C ATOM 1099 C PRO A 468 3.321 15.434 11.912 1.00 0.00 C ATOM 1100 O PRO A 468 4.251 14.662 11.671 1.00 0.00 O ATOM 1101 CB PRO A 468 1.119 15.586 10.721 1.00 0.00 C ATOM 1102 CG PRO A 468 1.168 14.462 9.747 1.00 0.00 C ATOM 1103 CD PRO A 468 2.205 14.842 8.725 1.00 0.00 C ATOM 0 HA PRO A 468 2.627 17.177 10.984 1.00 0.00 H new ATOM 0 HB2 PRO A 468 0.781 15.247 11.700 1.00 0.00 H new ATOM 0 HB3 PRO A 468 0.427 16.363 10.396 1.00 0.00 H new ATOM 0 HG2 PRO A 468 1.433 13.528 10.242 1.00 0.00 H new ATOM 0 HG3 PRO A 468 0.196 14.310 9.278 1.00 0.00 H new ATOM 0 HD2 PRO A 468 2.748 13.970 8.361 1.00 0.00 H new ATOM 0 HD3 PRO A 468 1.755 15.323 7.856 1.00 0.00 H new ATOM 1111 N ALA A 469 2.926 15.729 13.145 1.00 0.00 N ATOM 1112 CA ALA A 469 3.577 15.151 14.315 1.00 0.00 C ATOM 1113 C ALA A 469 2.623 15.101 15.504 1.00 0.00 C ATOM 1114 O ALA A 469 1.549 15.734 15.427 1.00 0.00 O ATOM 1115 CB ALA A 469 4.826 15.942 14.671 1.00 0.00 C ATOM 1116 OXT ALA A 469 2.958 14.430 16.503 1.00 0.00 O ATOM 0 H ALA A 469 2.158 16.365 13.361 1.00 0.00 H new ATOM 0 HA ALA A 469 3.867 14.129 14.071 1.00 0.00 H new ATOM 0 HB1 ALA A 469 5.301 15.498 15.546 1.00 0.00 H new ATOM 0 HB2 ALA A 469 5.521 15.921 13.832 1.00 0.00 H new ATOM 0 HB3 ALA A 469 4.553 16.974 14.891 1.00 0.00 H new TER 1122 ALA A 469 HETATM 1123 ZN ZN A 470 -1.565 12.692 2.701 1.00 0.00 ZN