USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=21 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 427 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 453 LYS NZ :NH3+ 157:sc= -0.03 (180deg=-0.325) USER MOD Single : A 400 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 401 THR OG1 : rot 42:sc= 1.06 USER MOD Single : A 402 THR OG1 : rot 110:sc= 0.0893 USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.113) USER MOD Single : A 417 TYR OH : rot 108:sc= 0.362 USER MOD Single : A 419 GLN :FLIP amide:sc= 0.57 F(o=0,f=0.57) 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= -1.08 K(o=-1.1,f=-6!) 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+ -163:sc= 0 (180deg=-0.114) USER MOD Single : A 435 THR OG1 : rot -69:sc= 0.637 USER MOD Single : A 436 THR OG1 : rot -94:sc= -0.919 USER MOD Single : A 443 LYS NZ :NH3+ 163:sc= 0.261 (180deg=0.176) USER MOD Single : A 444 HIS :FLIP no HD1:sc= -0.0377 F(o=-0.87,f=-0.038) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0 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) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 399 -22.945 10.038 13.811 1.00 0.00 N ATOM 2 CA VAL A 399 -22.044 9.773 14.963 1.00 0.00 C ATOM 3 C VAL A 399 -21.265 8.478 14.764 1.00 0.00 C ATOM 4 O VAL A 399 -21.847 7.395 14.702 1.00 0.00 O ATOM 5 CB VAL A 399 -22.834 9.682 16.282 1.00 0.00 C ATOM 6 CG1 VAL A 399 -21.887 9.629 17.471 1.00 0.00 C ATOM 7 CG2 VAL A 399 -23.797 10.853 16.409 1.00 0.00 C ATOM 0 HA VAL A 399 -21.348 10.610 15.019 1.00 0.00 H new ATOM 0 HB VAL A 399 -23.417 8.761 16.272 1.00 0.00 H new ATOM 0 HG11 VAL A 399 -22.464 9.565 18.393 1.00 0.00 H new ATOM 0 HG12 VAL A 399 -21.243 8.754 17.384 1.00 0.00 H new ATOM 0 HG13 VAL A 399 -21.274 10.530 17.488 1.00 0.00 H new ATOM 0 HG21 VAL A 399 -24.347 10.772 17.347 1.00 0.00 H new ATOM 0 HG22 VAL A 399 -23.237 11.788 16.396 1.00 0.00 H new ATOM 0 HG23 VAL A 399 -24.499 10.839 15.575 1.00 0.00 H new ATOM 17 N GLN A 400 -19.944 8.597 14.665 1.00 0.00 N ATOM 18 CA GLN A 400 -19.085 7.435 14.473 1.00 0.00 C ATOM 19 C GLN A 400 -18.272 7.146 15.732 1.00 0.00 C ATOM 20 O GLN A 400 -18.035 8.037 16.547 1.00 0.00 O ATOM 21 CB GLN A 400 -18.146 7.659 13.286 1.00 0.00 C ATOM 22 CG GLN A 400 -18.734 7.224 11.954 1.00 0.00 C ATOM 23 CD GLN A 400 -18.891 5.719 11.850 1.00 0.00 C ATOM 24 OE1 GLN A 400 -20.005 5.205 11.766 1.00 0.00 O ATOM 25 NE2 GLN A 400 -17.770 5.008 11.854 1.00 0.00 N ATOM 0 H GLN A 400 -19.446 9.486 14.715 1.00 0.00 H new ATOM 0 HA GLN A 400 -19.721 6.574 14.267 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -17.889 8.717 13.232 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -17.218 7.114 13.459 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -19.706 7.697 11.818 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -18.093 7.576 11.146 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -16.868 5.479 11.926 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -17.811 3.991 11.785 1.00 0.00 H new ATOM 34 N THR A 401 -17.851 5.894 15.883 1.00 0.00 N ATOM 35 CA THR A 401 -17.064 5.489 17.041 1.00 0.00 C ATOM 36 C THR A 401 -16.098 4.366 16.684 1.00 0.00 C ATOM 37 O THR A 401 -16.461 3.190 16.707 1.00 0.00 O ATOM 38 CB THR A 401 -17.969 5.023 18.198 1.00 0.00 C ATOM 39 OG1 THR A 401 -18.751 3.895 17.787 1.00 0.00 O ATOM 40 CG2 THR A 401 -18.891 6.146 18.651 1.00 0.00 C ATOM 0 H THR A 401 -18.042 5.144 15.219 1.00 0.00 H new ATOM 0 HA THR A 401 -16.497 6.364 17.360 1.00 0.00 H new ATOM 0 HB THR A 401 -17.331 4.737 19.034 1.00 0.00 H new ATOM 0 HG1 THR A 401 -18.191 3.280 17.269 1.00 0.00 H new ATOM 0 HG21 THR A 401 -19.520 5.793 19.468 1.00 0.00 H new ATOM 0 HG22 THR A 401 -18.294 6.992 18.992 1.00 0.00 H new ATOM 0 HG23 THR A 401 -19.520 6.459 17.818 1.00 0.00 H new ATOM 48 N THR A 402 -14.864 4.736 16.354 1.00 0.00 N ATOM 49 CA THR A 402 -13.845 3.760 15.991 1.00 0.00 C ATOM 50 C THR A 402 -12.586 3.942 16.833 1.00 0.00 C ATOM 51 O THR A 402 -11.690 4.704 16.471 1.00 0.00 O ATOM 52 CB THR A 402 -13.470 3.866 14.500 1.00 0.00 C ATOM 53 OG1 THR A 402 -13.582 5.225 14.062 1.00 0.00 O ATOM 54 CG2 THR A 402 -14.370 2.978 13.653 1.00 0.00 C ATOM 0 H THR A 402 -14.547 5.705 16.331 1.00 0.00 H new ATOM 0 HA THR A 402 -14.269 2.774 16.182 1.00 0.00 H new ATOM 0 HB THR A 402 -12.439 3.531 14.381 1.00 0.00 H new ATOM 0 HG1 THR A 402 -12.688 5.589 13.892 1.00 0.00 H new ATOM 0 HG21 THR A 402 -14.087 3.069 12.604 1.00 0.00 H new ATOM 0 HG22 THR A 402 -14.260 1.941 13.970 1.00 0.00 H new ATOM 0 HG23 THR A 402 -15.408 3.288 13.777 1.00 0.00 H new ATOM 62 N SER A 403 -12.525 3.236 17.958 1.00 0.00 N ATOM 63 CA SER A 403 -11.376 3.318 18.850 1.00 0.00 C ATOM 64 C SER A 403 -10.440 2.132 18.644 1.00 0.00 C ATOM 65 O SER A 403 -9.779 1.680 19.578 1.00 0.00 O ATOM 66 CB SER A 403 -11.839 3.369 20.308 1.00 0.00 C ATOM 67 OG SER A 403 -12.408 2.134 20.706 1.00 0.00 O ATOM 0 H SER A 403 -13.259 2.601 18.273 1.00 0.00 H new ATOM 0 HA SER A 403 -10.831 4.232 18.616 1.00 0.00 H new ATOM 0 HB2 SER A 403 -10.994 3.608 20.953 1.00 0.00 H new ATOM 0 HB3 SER A 403 -12.571 4.167 20.433 1.00 0.00 H new ATOM 0 HG SER A 403 -12.694 2.192 21.641 1.00 0.00 H new ATOM 73 N GLU A 404 -10.386 1.635 17.413 1.00 0.00 N ATOM 74 CA GLU A 404 -9.530 0.501 17.082 1.00 0.00 C ATOM 75 C GLU A 404 -8.094 0.955 16.846 1.00 0.00 C ATOM 76 O GLU A 404 -7.759 1.456 15.772 1.00 0.00 O ATOM 77 CB GLU A 404 -10.060 -0.220 15.842 1.00 0.00 C ATOM 78 CG GLU A 404 -11.195 -1.186 16.138 1.00 0.00 C ATOM 79 CD GLU A 404 -10.705 -2.501 16.719 1.00 0.00 C ATOM 80 OE1 GLU A 404 -9.950 -2.465 17.712 1.00 0.00 O ATOM 81 OE2 GLU A 404 -11.078 -3.562 16.177 1.00 0.00 O ATOM 0 H GLU A 404 -10.925 2.000 16.628 1.00 0.00 H new ATOM 0 HA GLU A 404 -9.540 -0.189 17.926 1.00 0.00 H new ATOM 0 HB2 GLU A 404 -10.404 0.521 15.120 1.00 0.00 H new ATOM 0 HB3 GLU A 404 -9.242 -0.767 15.373 1.00 0.00 H new ATOM 0 HG2 GLU A 404 -11.890 -0.721 16.837 1.00 0.00 H new ATOM 0 HG3 GLU A 404 -11.749 -1.382 15.220 1.00 0.00 H new ATOM 88 N VAL A 405 -7.248 0.778 17.855 1.00 0.00 N ATOM 89 CA VAL A 405 -5.847 1.168 17.756 1.00 0.00 C ATOM 90 C VAL A 405 -5.088 0.251 16.803 1.00 0.00 C ATOM 91 O VAL A 405 -4.225 -0.522 17.222 1.00 0.00 O ATOM 92 CB VAL A 405 -5.159 1.146 19.135 1.00 0.00 C ATOM 93 CG1 VAL A 405 -3.764 1.741 19.044 1.00 0.00 C ATOM 94 CG2 VAL A 405 -5.998 1.891 20.162 1.00 0.00 C ATOM 0 H VAL A 405 -7.509 0.367 18.751 1.00 0.00 H new ATOM 0 HA VAL A 405 -5.827 2.186 17.367 1.00 0.00 H new ATOM 0 HB VAL A 405 -5.067 0.109 19.458 1.00 0.00 H new ATOM 0 HG11 VAL A 405 -3.293 1.717 20.027 1.00 0.00 H new ATOM 0 HG12 VAL A 405 -3.166 1.161 18.341 1.00 0.00 H new ATOM 0 HG13 VAL A 405 -3.830 2.773 18.698 1.00 0.00 H new ATOM 0 HG21 VAL A 405 -5.497 1.865 21.129 1.00 0.00 H new ATOM 0 HG22 VAL A 405 -6.124 2.927 19.846 1.00 0.00 H new ATOM 0 HG23 VAL A 405 -6.975 1.416 20.247 1.00 0.00 H new ATOM 104 N ASP A 406 -5.414 0.342 15.518 1.00 0.00 N ATOM 105 CA ASP A 406 -4.765 -0.479 14.503 1.00 0.00 C ATOM 106 C ASP A 406 -3.810 0.355 13.657 1.00 0.00 C ATOM 107 O ASP A 406 -2.787 -0.140 13.185 1.00 0.00 O ATOM 108 CB ASP A 406 -5.812 -1.145 13.608 1.00 0.00 C ATOM 109 CG ASP A 406 -6.229 -2.508 14.122 1.00 0.00 C ATOM 110 OD1 ASP A 406 -5.369 -3.222 14.679 1.00 0.00 O ATOM 111 OD2 ASP A 406 -7.417 -2.863 13.966 1.00 0.00 O ATOM 0 H ASP A 406 -6.125 0.977 15.155 1.00 0.00 H new ATOM 0 HA ASP A 406 -4.189 -1.252 15.011 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -6.689 -0.502 13.539 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -5.412 -1.247 12.599 1.00 0.00 H new ATOM 116 N LEU A 407 -4.152 1.626 13.468 1.00 0.00 N ATOM 117 CA LEU A 407 -3.324 2.531 12.678 1.00 0.00 C ATOM 118 C LEU A 407 -2.336 3.278 13.568 1.00 0.00 C ATOM 119 O LEU A 407 -2.733 4.038 14.451 1.00 0.00 O ATOM 120 CB LEU A 407 -4.203 3.525 11.914 1.00 0.00 C ATOM 121 CG LEU A 407 -4.163 3.384 10.389 1.00 0.00 C ATOM 122 CD1 LEU A 407 -5.491 2.860 9.863 1.00 0.00 C ATOM 123 CD2 LEU A 407 -3.820 4.717 9.737 1.00 0.00 C ATOM 0 H LEU A 407 -4.996 2.052 13.851 1.00 0.00 H new ATOM 0 HA LEU A 407 -2.758 1.937 11.961 1.00 0.00 H new ATOM 0 HB2 LEU A 407 -5.234 3.407 12.248 1.00 0.00 H new ATOM 0 HB3 LEU A 407 -3.896 4.537 12.179 1.00 0.00 H new ATOM 0 HG LEU A 407 -3.385 2.665 10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -5.442 2.767 8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -5.696 1.884 10.302 1.00 0.00 H new ATOM 0 HD13 LEU A 407 -6.288 3.553 10.132 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -3.796 4.597 8.654 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -4.574 5.457 10.004 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -2.843 5.052 10.086 1.00 0.00 H new ATOM 135 N LEU A 408 -1.048 3.060 13.329 1.00 0.00 N ATOM 136 CA LEU A 408 -0.004 3.713 14.109 1.00 0.00 C ATOM 137 C LEU A 408 0.328 5.085 13.531 1.00 0.00 C ATOM 138 O LEU A 408 1.124 5.202 12.599 1.00 0.00 O ATOM 139 CB LEU A 408 1.256 2.844 14.144 1.00 0.00 C ATOM 140 CG LEU A 408 1.029 1.395 14.578 1.00 0.00 C ATOM 141 CD1 LEU A 408 0.692 0.524 13.377 1.00 0.00 C ATOM 142 CD2 LEU A 408 2.256 0.858 15.299 1.00 0.00 C ATOM 0 H LEU A 408 -0.702 2.436 12.601 1.00 0.00 H new ATOM 0 HA LEU A 408 -0.374 3.845 15.126 1.00 0.00 H new ATOM 0 HB2 LEU A 408 1.707 2.844 13.152 1.00 0.00 H new ATOM 0 HB3 LEU A 408 1.977 3.302 14.822 1.00 0.00 H new ATOM 0 HG LEU A 408 0.185 1.370 15.267 1.00 0.00 H new ATOM 0 HD11 LEU A 408 0.534 -0.503 13.705 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.215 0.896 12.901 1.00 0.00 H new ATOM 0 HD13 LEU A 408 1.515 0.554 12.663 1.00 0.00 H new ATOM 0 HD21 LEU A 408 2.078 -0.174 15.601 1.00 0.00 H new ATOM 0 HD22 LEU A 408 3.117 0.897 14.631 1.00 0.00 H new ATOM 0 HD23 LEU A 408 2.454 1.465 16.182 1.00 0.00 H new ATOM 154 N ASP A 409 -0.288 6.122 14.091 1.00 0.00 N ATOM 155 CA ASP A 409 -0.059 7.486 13.632 1.00 0.00 C ATOM 156 C ASP A 409 1.411 7.869 13.771 1.00 0.00 C ATOM 157 O ASP A 409 1.934 7.972 14.880 1.00 0.00 O ATOM 158 CB ASP A 409 -0.929 8.465 14.424 1.00 0.00 C ATOM 159 CG ASP A 409 -0.857 9.877 13.876 1.00 0.00 C ATOM 160 OD1 ASP A 409 -1.302 10.090 12.727 1.00 0.00 O ATOM 161 OD2 ASP A 409 -0.357 10.768 14.593 1.00 0.00 O ATOM 0 H ASP A 409 -0.949 6.043 14.863 1.00 0.00 H new ATOM 0 HA ASP A 409 -0.331 7.538 12.578 1.00 0.00 H new ATOM 0 HB2 ASP A 409 -1.964 8.124 14.406 1.00 0.00 H new ATOM 0 HB3 ASP A 409 -0.612 8.466 15.467 1.00 0.00 H new ATOM 166 N ASP A 410 2.072 8.078 12.638 1.00 0.00 N ATOM 167 CA ASP A 410 3.483 8.449 12.632 1.00 0.00 C ATOM 168 C ASP A 410 3.702 9.742 11.854 1.00 0.00 C ATOM 169 O ASP A 410 4.435 10.627 12.295 1.00 0.00 O ATOM 170 CB ASP A 410 4.325 7.325 12.024 1.00 0.00 C ATOM 171 CG ASP A 410 5.736 7.296 12.577 1.00 0.00 C ATOM 172 OD1 ASP A 410 5.886 7.237 13.816 1.00 0.00 O ATOM 173 OD2 ASP A 410 6.689 7.332 11.773 1.00 0.00 O ATOM 0 H ASP A 410 1.654 7.997 11.711 1.00 0.00 H new ATOM 0 HA ASP A 410 3.795 8.610 13.664 1.00 0.00 H new ATOM 0 HB2 ASP A 410 3.842 6.367 12.218 1.00 0.00 H new ATOM 0 HB3 ASP A 410 4.364 7.449 10.942 1.00 0.00 H new ATOM 178 N GLY A 411 3.061 9.845 10.695 1.00 0.00 N ATOM 179 CA GLY A 411 3.198 11.034 9.874 1.00 0.00 C ATOM 180 C GLY A 411 1.880 11.481 9.276 1.00 0.00 C ATOM 181 O GLY A 411 1.351 12.533 9.636 1.00 0.00 O ATOM 0 H GLY A 411 2.449 9.126 10.309 1.00 0.00 H new ATOM 0 HA2 GLY A 411 3.612 11.842 10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 411 3.909 10.838 9.072 1.00 0.00 H new ATOM 185 N TYR A 412 1.348 10.681 8.356 1.00 0.00 N ATOM 186 CA TYR A 412 0.083 11.000 7.705 1.00 0.00 C ATOM 187 C TYR A 412 -1.091 10.395 8.469 1.00 0.00 C ATOM 188 O TYR A 412 -0.901 9.654 9.432 1.00 0.00 O ATOM 189 CB TYR A 412 0.084 10.492 6.263 1.00 0.00 C ATOM 190 CG TYR A 412 1.334 10.857 5.492 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.792 12.168 5.457 1.00 0.00 C ATOM 192 CD2 TYR A 412 2.054 9.892 4.800 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.932 12.508 4.753 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.195 10.221 4.095 1.00 0.00 C ATOM 195 CZ TYR A 412 3.630 11.530 4.074 1.00 0.00 C ATOM 196 OH TYR A 412 4.767 11.863 3.374 1.00 0.00 O ATOM 0 H TYR A 412 1.774 9.808 8.045 1.00 0.00 H new ATOM 0 HA TYR A 412 -0.030 12.084 7.700 1.00 0.00 H new ATOM 0 HB2 TYR A 412 -0.025 9.408 6.269 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.784 10.897 5.743 1.00 0.00 H new ATOM 0 HD1 TYR A 412 1.248 12.935 5.989 1.00 0.00 H new ATOM 0 HD2 TYR A 412 1.716 8.866 4.813 1.00 0.00 H new ATOM 0 HE1 TYR A 412 3.274 13.532 4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 412 3.744 9.458 3.563 1.00 0.00 H new ATOM 0 HH TYR A 412 5.139 11.060 2.954 1.00 0.00 H new ATOM 206 N ARG A 413 -2.304 10.716 8.030 1.00 0.00 N ATOM 207 CA ARG A 413 -3.509 10.203 8.673 1.00 0.00 C ATOM 208 C ARG A 413 -4.354 9.402 7.686 1.00 0.00 C ATOM 209 O ARG A 413 -5.004 9.968 6.808 1.00 0.00 O ATOM 210 CB ARG A 413 -4.334 11.355 9.250 1.00 0.00 C ATOM 211 CG ARG A 413 -3.509 12.351 10.051 1.00 0.00 C ATOM 212 CD ARG A 413 -4.179 12.702 11.368 1.00 0.00 C ATOM 213 NE ARG A 413 -3.462 13.755 12.084 1.00 0.00 N ATOM 214 CZ ARG A 413 -3.606 14.000 13.384 1.00 0.00 C ATOM 215 NH1 ARG A 413 -4.441 13.271 14.115 1.00 0.00 N ATOM 216 NH2 ARG A 413 -2.915 14.977 13.956 1.00 0.00 N ATOM 0 H ARG A 413 -2.479 11.328 7.233 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.204 9.541 9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -4.831 11.880 8.434 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -5.117 10.946 9.889 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -2.521 11.933 10.245 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -3.362 13.258 9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -5.203 13.025 11.179 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -4.236 11.812 11.994 1.00 0.00 H new ATOM 0 HE ARG A 413 -2.812 14.337 11.556 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -4.976 12.519 13.680 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -4.548 13.463 15.111 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -2.273 15.541 13.399 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -3.026 15.164 14.953 1.00 0.00 H new ATOM 230 N TRP A 414 -4.336 8.082 7.836 1.00 0.00 N ATOM 231 CA TRP A 414 -5.100 7.203 6.958 1.00 0.00 C ATOM 232 C TRP A 414 -6.351 6.686 7.660 1.00 0.00 C ATOM 233 O TRP A 414 -6.430 6.684 8.888 1.00 0.00 O ATOM 234 CB TRP A 414 -4.234 6.025 6.503 1.00 0.00 C ATOM 235 CG TRP A 414 -2.866 6.436 6.049 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.807 6.774 6.842 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.408 6.550 4.697 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.719 7.093 6.065 1.00 0.00 N ATOM 239 CE2 TRP A 414 -1.063 6.963 4.745 1.00 0.00 C ATOM 240 CE3 TRP A 414 -3.005 6.343 3.450 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.307 7.172 3.595 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.254 6.553 2.309 1.00 0.00 C ATOM 243 CH2 TRP A 414 -0.917 6.962 2.388 1.00 0.00 C ATOM 0 H TRP A 414 -3.801 7.597 8.557 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.407 7.780 6.085 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -4.139 5.315 7.324 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.739 5.505 5.689 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -1.822 6.789 7.922 1.00 0.00 H new ATOM 0 HE1 TRP A 414 0.195 7.380 6.414 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -4.035 6.025 3.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.724 7.489 3.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.706 6.399 1.340 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.356 7.115 1.478 1.00 0.00 H new ATOM 254 N ARG A 415 -7.329 6.250 6.872 1.00 0.00 N ATOM 255 CA ARG A 415 -8.578 5.733 7.418 1.00 0.00 C ATOM 256 C ARG A 415 -9.070 4.535 6.610 1.00 0.00 C ATOM 257 O ARG A 415 -8.859 4.461 5.399 1.00 0.00 O ATOM 258 CB ARG A 415 -9.646 6.830 7.435 1.00 0.00 C ATOM 259 CG ARG A 415 -10.062 7.253 8.834 1.00 0.00 C ATOM 260 CD ARG A 415 -11.097 6.305 9.421 1.00 0.00 C ATOM 261 NE ARG A 415 -12.262 7.019 9.938 1.00 0.00 N ATOM 262 CZ ARG A 415 -13.136 6.492 10.793 1.00 0.00 C ATOM 263 NH1 ARG A 415 -12.980 5.248 11.230 1.00 0.00 N ATOM 264 NH2 ARG A 415 -14.168 7.210 11.211 1.00 0.00 N ATOM 0 H ARG A 415 -7.280 6.245 5.853 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.391 5.405 8.441 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -9.269 7.701 6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -10.525 6.478 6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -9.186 7.282 9.482 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -10.469 8.264 8.803 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -11.416 5.597 8.656 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -10.643 5.724 10.223 1.00 0.00 H new ATOM 0 HE ARG A 415 -12.415 7.978 9.625 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -12.187 4.691 10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -13.653 4.849 11.885 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -14.293 8.166 10.878 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -14.838 6.807 11.866 1.00 0.00 H new ATOM 278 N LYS A 416 -9.728 3.601 7.289 1.00 0.00 N ATOM 279 CA LYS A 416 -10.251 2.407 6.635 1.00 0.00 C ATOM 280 C LYS A 416 -11.638 2.668 6.055 1.00 0.00 C ATOM 281 O LYS A 416 -12.454 3.361 6.660 1.00 0.00 O ATOM 282 CB LYS A 416 -10.310 1.242 7.624 1.00 0.00 C ATOM 283 CG LYS A 416 -10.203 -0.123 6.964 1.00 0.00 C ATOM 284 CD LYS A 416 -10.310 -1.245 7.983 1.00 0.00 C ATOM 285 CE LYS A 416 -8.956 -1.589 8.578 1.00 0.00 C ATOM 286 NZ LYS A 416 -8.749 -0.942 9.903 1.00 0.00 N ATOM 0 H LYS A 416 -9.912 3.648 8.291 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.578 2.147 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.503 1.350 8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -11.246 1.295 8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -10.991 -0.231 6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -9.253 -0.199 6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -10.994 -0.951 8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -10.735 -2.129 7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -8.871 -2.670 8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -8.168 -1.274 7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -7.742 -0.711 10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -9.313 -0.070 9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -9.047 -1.593 10.657 1.00 0.00 H new ATOM 300 N TYR A 417 -11.896 2.107 4.878 1.00 0.00 N ATOM 301 CA TYR A 417 -13.184 2.279 4.217 1.00 0.00 C ATOM 302 C TYR A 417 -13.789 0.930 3.842 1.00 0.00 C ATOM 303 O TYR A 417 -14.971 0.680 4.083 1.00 0.00 O ATOM 304 CB TYR A 417 -13.027 3.146 2.966 1.00 0.00 C ATOM 305 CG TYR A 417 -12.104 2.547 1.926 1.00 0.00 C ATOM 306 CD1 TYR A 417 -10.744 2.821 1.938 1.00 0.00 C ATOM 307 CD2 TYR A 417 -12.598 1.710 0.933 1.00 0.00 C ATOM 308 CE1 TYR A 417 -9.898 2.276 0.990 1.00 0.00 C ATOM 309 CE2 TYR A 417 -11.759 1.161 -0.018 1.00 0.00 C ATOM 310 CZ TYR A 417 -10.411 1.447 0.015 1.00 0.00 C ATOM 311 OH TYR A 417 -9.572 0.903 -0.931 1.00 0.00 O ATOM 0 H TYR A 417 -11.231 1.530 4.363 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.858 2.777 4.914 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -14.008 3.306 2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.646 4.125 3.258 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -10.340 3.471 2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -13.654 1.485 0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -8.841 2.498 1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -12.157 0.511 -0.783 1.00 0.00 H new ATOM 0 HH TYR A 417 -9.458 -0.054 -0.755 1.00 0.00 H new ATOM 321 N GLY A 418 -12.972 0.064 3.252 1.00 0.00 N ATOM 322 CA GLY A 418 -13.445 -1.249 2.854 1.00 0.00 C ATOM 323 C GLY A 418 -12.383 -2.321 3.011 1.00 0.00 C ATOM 324 O GLY A 418 -11.241 -2.025 3.362 1.00 0.00 O ATOM 0 H GLY A 418 -11.991 0.248 3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -14.316 -1.515 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -13.771 -1.215 1.814 1.00 0.00 H new ATOM 328 N GLN A 419 -12.762 -3.567 2.749 1.00 0.00 N ATOM 329 CA GLN A 419 -11.834 -4.686 2.862 1.00 0.00 C ATOM 330 C GLN A 419 -12.070 -5.703 1.750 1.00 0.00 C ATOM 331 O GLN A 419 -13.208 -5.962 1.363 1.00 0.00 O ATOM 332 CB GLN A 419 -11.981 -5.361 4.226 1.00 0.00 C ATOM 333 CG GLN A 419 -13.423 -5.665 4.603 1.00 0.00 C ATOM 334 CD GLN A 419 -13.725 -7.151 4.608 1.00 0.00 C ATOM 335 OE1 GLN A 419 -13.747 -7.745 5.796 1.00 0.00 O flip ATOM 336 NE2 GLN A 419 -13.935 -7.758 3.558 1.00 0.00 N flip ATOM 0 H GLN A 419 -13.704 -3.827 2.457 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.821 -4.297 2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -11.411 -6.290 4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -11.543 -4.718 4.989 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -13.631 -5.253 5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -14.091 -5.165 3.902 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.908 -7.261 2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -14.136 -8.758 3.578 1.00 0.00 H new ATOM 345 N LYS A 420 -10.983 -6.278 1.242 1.00 0.00 N ATOM 346 CA LYS A 420 -11.071 -7.267 0.173 1.00 0.00 C ATOM 347 C LYS A 420 -10.646 -8.644 0.673 1.00 0.00 C ATOM 348 O LYS A 420 -10.107 -8.778 1.772 1.00 0.00 O ATOM 349 CB LYS A 420 -10.200 -6.845 -1.012 1.00 0.00 C ATOM 350 CG LYS A 420 -10.999 -6.465 -2.249 1.00 0.00 C ATOM 351 CD LYS A 420 -10.999 -7.583 -3.279 1.00 0.00 C ATOM 352 CE LYS A 420 -9.916 -7.376 -4.325 1.00 0.00 C ATOM 353 NZ LYS A 420 -10.359 -7.814 -5.678 1.00 0.00 N ATOM 0 H LYS A 420 -10.033 -6.076 1.553 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.109 -7.325 -0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -9.582 -5.998 -0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -9.523 -7.661 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -12.025 -6.232 -1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -10.579 -5.562 -2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -10.846 -8.540 -2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -11.973 -7.630 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -9.639 -6.322 -4.357 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -9.023 -7.931 -4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -9.592 -7.656 -6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -10.599 -8.826 -5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -11.196 -7.266 -5.963 1.00 0.00 H new ATOM 367 N VAL A 421 -10.891 -9.666 -0.142 1.00 0.00 N ATOM 368 CA VAL A 421 -10.534 -11.032 0.216 1.00 0.00 C ATOM 369 C VAL A 421 -9.755 -11.708 -0.909 1.00 0.00 C ATOM 370 O VAL A 421 -9.992 -11.441 -2.087 1.00 0.00 O ATOM 371 CB VAL A 421 -11.784 -11.873 0.545 1.00 0.00 C ATOM 372 CG1 VAL A 421 -12.715 -11.945 -0.657 1.00 0.00 C ATOM 373 CG2 VAL A 421 -11.387 -13.266 1.008 1.00 0.00 C ATOM 0 H VAL A 421 -11.336 -9.572 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 421 -9.905 -10.974 1.104 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.320 -11.386 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.591 -12.543 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.030 -10.939 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.192 -12.405 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -12.283 -13.843 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -10.824 -13.765 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -10.768 -13.190 1.902 1.00 0.00 H new ATOM 383 N VAL A 422 -8.825 -12.582 -0.538 1.00 0.00 N ATOM 384 CA VAL A 422 -8.012 -13.295 -1.516 1.00 0.00 C ATOM 385 C VAL A 422 -8.093 -14.802 -1.306 1.00 0.00 C ATOM 386 O VAL A 422 -7.697 -15.315 -0.258 1.00 0.00 O ATOM 387 CB VAL A 422 -6.537 -12.857 -1.446 1.00 0.00 C ATOM 388 CG1 VAL A 422 -5.751 -13.442 -2.608 1.00 0.00 C ATOM 389 CG2 VAL A 422 -6.429 -11.340 -1.429 1.00 0.00 C ATOM 0 H VAL A 422 -8.616 -12.813 0.433 1.00 0.00 H new ATOM 0 HA VAL A 422 -8.411 -13.047 -2.499 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.108 -13.238 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -4.711 -13.122 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -5.799 -14.530 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -6.179 -13.094 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -5.379 -11.050 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -6.875 -10.933 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -6.955 -10.948 -0.559 1.00 0.00 H new ATOM 399 N LYS A 423 -8.608 -15.508 -2.308 1.00 0.00 N ATOM 400 CA LYS A 423 -8.738 -16.958 -2.233 1.00 0.00 C ATOM 401 C LYS A 423 -7.367 -17.626 -2.186 1.00 0.00 C ATOM 402 O LYS A 423 -6.595 -17.546 -3.141 1.00 0.00 O ATOM 403 CB LYS A 423 -9.536 -17.483 -3.430 1.00 0.00 C ATOM 404 CG LYS A 423 -11.002 -17.733 -3.122 1.00 0.00 C ATOM 405 CD LYS A 423 -11.786 -18.070 -4.380 1.00 0.00 C ATOM 406 CE LYS A 423 -13.284 -18.058 -4.124 1.00 0.00 C ATOM 407 NZ LYS A 423 -13.984 -19.140 -4.868 1.00 0.00 N ATOM 0 H LYS A 423 -8.942 -15.099 -3.181 1.00 0.00 H new ATOM 0 HA LYS A 423 -9.272 -17.203 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -9.462 -16.766 -4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -9.083 -18.411 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -11.090 -18.551 -2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -11.432 -16.849 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -11.544 -17.352 -5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -11.486 -19.053 -4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -13.470 -18.173 -3.056 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -13.694 -17.092 -4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -15.003 -19.097 -4.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -13.828 -19.017 -5.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -13.611 -20.064 -4.570 1.00 0.00 H new ATOM 421 N GLY A 424 -7.072 -18.283 -1.069 1.00 0.00 N ATOM 422 CA GLY A 424 -5.793 -18.954 -0.919 1.00 0.00 C ATOM 423 C GLY A 424 -4.997 -18.428 0.259 1.00 0.00 C ATOM 424 O GLY A 424 -4.500 -19.203 1.075 1.00 0.00 O ATOM 0 H GLY A 424 -7.695 -18.363 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -5.960 -20.024 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -5.211 -18.828 -1.832 1.00 0.00 H new ATOM 428 N ASN A 425 -4.878 -17.107 0.348 1.00 0.00 N ATOM 429 CA ASN A 425 -4.138 -16.479 1.436 1.00 0.00 C ATOM 430 C ASN A 425 -5.012 -16.346 2.681 1.00 0.00 C ATOM 431 O ASN A 425 -6.140 -15.857 2.606 1.00 0.00 O ATOM 432 CB ASN A 425 -3.632 -15.101 1.004 1.00 0.00 C ATOM 433 CG ASN A 425 -2.236 -15.154 0.416 1.00 0.00 C ATOM 434 OD1 ASN A 425 -1.351 -14.401 0.819 1.00 0.00 O ATOM 435 ND2 ASN A 425 -2.033 -16.048 -0.546 1.00 0.00 N ATOM 0 H ASN A 425 -5.284 -16.452 -0.320 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.285 -17.113 1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -4.317 -14.680 0.268 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.636 -14.430 1.863 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -1.114 -16.129 -0.981 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -2.796 -16.653 -0.849 1.00 0.00 H new ATOM 442 N PRO A 426 -4.505 -16.781 3.852 1.00 0.00 N ATOM 443 CA PRO A 426 -5.253 -16.703 5.110 1.00 0.00 C ATOM 444 C PRO A 426 -5.346 -15.278 5.642 1.00 0.00 C ATOM 445 O PRO A 426 -6.310 -14.918 6.318 1.00 0.00 O ATOM 446 CB PRO A 426 -4.435 -17.577 6.059 1.00 0.00 C ATOM 447 CG PRO A 426 -3.043 -17.501 5.534 1.00 0.00 C ATOM 448 CD PRO A 426 -3.169 -17.378 4.040 1.00 0.00 C ATOM 0 HA PRO A 426 -6.287 -17.028 4.992 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -4.493 -17.211 7.084 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -4.800 -18.604 6.066 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -2.514 -16.645 5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -2.475 -18.390 5.806 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.385 -16.746 3.622 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -3.091 -18.348 3.550 1.00 0.00 H new ATOM 456 N TYR A 427 -4.337 -14.470 5.334 1.00 0.00 N ATOM 457 CA TYR A 427 -4.306 -13.083 5.782 1.00 0.00 C ATOM 458 C TYR A 427 -5.249 -12.217 4.946 1.00 0.00 C ATOM 459 O TYR A 427 -5.119 -12.151 3.725 1.00 0.00 O ATOM 460 CB TYR A 427 -2.881 -12.531 5.696 1.00 0.00 C ATOM 461 CG TYR A 427 -1.920 -13.178 6.666 1.00 0.00 C ATOM 462 CD1 TYR A 427 -2.251 -13.325 8.007 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.680 -13.638 6.243 1.00 0.00 C ATOM 464 CE1 TYR A 427 -1.375 -13.916 8.898 1.00 0.00 C ATOM 465 CE2 TYR A 427 0.202 -14.230 7.127 1.00 0.00 C ATOM 466 CZ TYR A 427 -0.150 -14.366 8.453 1.00 0.00 C ATOM 467 OH TYR A 427 0.726 -14.955 9.336 1.00 0.00 O ATOM 0 H TYR A 427 -3.531 -14.752 4.776 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.640 -13.055 6.819 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.508 -12.670 4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -2.905 -11.457 5.883 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -3.209 -12.972 8.359 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.400 -13.531 5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -1.649 -14.025 9.937 1.00 0.00 H new ATOM 0 HE2 TYR A 427 1.162 -14.584 6.781 1.00 0.00 H new ATOM 0 HH TYR A 427 1.543 -15.217 8.861 1.00 0.00 H new ATOM 477 N PRO A 428 -6.216 -11.539 5.593 1.00 0.00 N ATOM 478 CA PRO A 428 -7.175 -10.679 4.893 1.00 0.00 C ATOM 479 C PRO A 428 -6.520 -9.419 4.334 1.00 0.00 C ATOM 480 O PRO A 428 -5.421 -9.047 4.743 1.00 0.00 O ATOM 481 CB PRO A 428 -8.190 -10.317 5.979 1.00 0.00 C ATOM 482 CG PRO A 428 -7.436 -10.439 7.257 1.00 0.00 C ATOM 483 CD PRO A 428 -6.449 -11.555 7.050 1.00 0.00 C ATOM 0 HA PRO A 428 -7.616 -11.179 4.031 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.574 -9.306 5.841 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.048 -10.989 5.959 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -6.926 -9.507 7.500 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.107 -10.660 8.087 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -5.527 -11.385 7.606 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -6.850 -12.513 7.382 1.00 0.00 H new ATOM 491 N ARG A 429 -7.204 -8.767 3.400 1.00 0.00 N ATOM 492 CA ARG A 429 -6.688 -7.548 2.786 1.00 0.00 C ATOM 493 C ARG A 429 -7.316 -6.310 3.421 1.00 0.00 C ATOM 494 O ARG A 429 -8.537 -6.156 3.427 1.00 0.00 O ATOM 495 CB ARG A 429 -6.956 -7.559 1.280 1.00 0.00 C ATOM 496 CG ARG A 429 -5.785 -8.073 0.457 1.00 0.00 C ATOM 497 CD ARG A 429 -5.578 -7.241 -0.799 1.00 0.00 C ATOM 498 NE ARG A 429 -4.934 -8.008 -1.863 1.00 0.00 N ATOM 499 CZ ARG A 429 -4.442 -7.466 -2.974 1.00 0.00 C ATOM 500 NH1 ARG A 429 -4.514 -6.155 -3.170 1.00 0.00 N ATOM 501 NH2 ARG A 429 -3.873 -8.236 -3.890 1.00 0.00 N ATOM 0 H ARG A 429 -8.116 -9.062 3.052 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.612 -7.512 2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -7.830 -8.179 1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -7.201 -6.548 0.956 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -4.878 -8.053 1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.962 -9.113 0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.541 -6.870 -1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -4.968 -6.369 -0.560 1.00 0.00 H new ATOM 0 HE ARG A 429 -4.857 -9.018 -1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -4.948 -5.557 -2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -4.135 -5.745 -4.024 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -3.812 -9.244 -3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -3.496 -7.821 -4.742 1.00 0.00 H new ATOM 515 N SER A 430 -6.472 -5.431 3.949 1.00 0.00 N ATOM 516 CA SER A 430 -6.943 -4.206 4.584 1.00 0.00 C ATOM 517 C SER A 430 -6.643 -2.992 3.710 1.00 0.00 C ATOM 518 O SER A 430 -5.503 -2.784 3.292 1.00 0.00 O ATOM 519 CB SER A 430 -6.291 -4.035 5.957 1.00 0.00 C ATOM 520 OG SER A 430 -6.693 -5.065 6.845 1.00 0.00 O ATOM 0 H SER A 430 -5.458 -5.544 3.950 1.00 0.00 H new ATOM 0 HA SER A 430 -8.023 -4.283 4.710 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.206 -4.044 5.852 1.00 0.00 H new ATOM 0 HB3 SER A 430 -6.562 -3.065 6.374 1.00 0.00 H new ATOM 0 HG SER A 430 -6.261 -4.934 7.715 1.00 0.00 H new ATOM 526 N TYR A 431 -7.669 -2.194 3.438 1.00 0.00 N ATOM 527 CA TYR A 431 -7.514 -1.002 2.614 1.00 0.00 C ATOM 528 C TYR A 431 -7.490 0.258 3.472 1.00 0.00 C ATOM 529 O TYR A 431 -8.176 0.341 4.491 1.00 0.00 O ATOM 530 CB TYR A 431 -8.647 -0.914 1.591 1.00 0.00 C ATOM 531 CG TYR A 431 -8.510 -1.892 0.446 1.00 0.00 C ATOM 532 CD1 TYR A 431 -7.286 -2.087 -0.186 1.00 0.00 C ATOM 533 CD2 TYR A 431 -9.602 -2.623 -0.004 1.00 0.00 C ATOM 534 CE1 TYR A 431 -7.157 -2.981 -1.231 1.00 0.00 C ATOM 535 CE2 TYR A 431 -9.481 -3.518 -1.049 1.00 0.00 C ATOM 536 CZ TYR A 431 -8.257 -3.693 -1.660 1.00 0.00 C ATOM 537 OH TYR A 431 -8.133 -4.584 -2.700 1.00 0.00 O ATOM 0 H TYR A 431 -8.618 -2.351 3.777 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.562 -1.078 2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.596 -1.091 2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -8.684 0.099 1.190 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -6.422 -1.530 0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -10.562 -2.489 0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -6.199 -3.122 -1.710 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -10.341 -4.078 -1.386 1.00 0.00 H new ATOM 0 HH TYR A 431 -7.225 -4.953 -2.708 1.00 0.00 H new ATOM 547 N TYR A 432 -6.698 1.239 3.051 1.00 0.00 N ATOM 548 CA TYR A 432 -6.586 2.499 3.778 1.00 0.00 C ATOM 549 C TYR A 432 -6.497 3.674 2.810 1.00 0.00 C ATOM 550 O TYR A 432 -6.333 3.485 1.605 1.00 0.00 O ATOM 551 CB TYR A 432 -5.357 2.479 4.688 1.00 0.00 C ATOM 552 CG TYR A 432 -5.346 1.329 5.670 1.00 0.00 C ATOM 553 CD1 TYR A 432 -6.065 1.396 6.858 1.00 0.00 C ATOM 554 CD2 TYR A 432 -4.619 0.174 5.409 1.00 0.00 C ATOM 555 CE1 TYR A 432 -6.058 0.348 7.756 1.00 0.00 C ATOM 556 CE2 TYR A 432 -4.607 -0.879 6.303 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.327 -0.788 7.475 1.00 0.00 C ATOM 558 OH TYR A 432 -5.319 -1.835 8.368 1.00 0.00 O ATOM 0 H TYR A 432 -6.124 1.186 2.210 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.480 2.620 4.390 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.460 2.427 4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.310 3.417 5.241 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -6.639 2.283 7.082 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -4.054 0.098 4.492 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -6.622 0.417 8.674 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -4.036 -1.769 6.085 1.00 0.00 H new ATOM 0 HH TYR A 432 -4.757 -2.558 8.019 1.00 0.00 H new ATOM 568 N LYS A 433 -6.610 4.887 3.342 1.00 0.00 N ATOM 569 CA LYS A 433 -6.543 6.088 2.518 1.00 0.00 C ATOM 570 C LYS A 433 -6.287 7.326 3.372 1.00 0.00 C ATOM 571 O LYS A 433 -6.932 7.527 4.401 1.00 0.00 O ATOM 572 CB LYS A 433 -7.840 6.260 1.726 1.00 0.00 C ATOM 573 CG LYS A 433 -9.093 6.172 2.585 1.00 0.00 C ATOM 574 CD LYS A 433 -9.886 7.469 2.553 1.00 0.00 C ATOM 575 CE LYS A 433 -10.686 7.664 3.831 1.00 0.00 C ATOM 576 NZ LYS A 433 -11.886 6.784 3.876 1.00 0.00 N ATOM 0 H LYS A 433 -6.748 5.064 4.337 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.711 5.973 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.823 7.226 1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.887 5.496 0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.720 5.353 2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.814 5.940 3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -9.206 8.310 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -10.561 7.463 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -10.051 7.456 4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -10.997 8.706 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -12.548 7.136 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -12.353 6.786 2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -11.597 5.814 4.116 1.00 0.00 H new ATOM 590 N CYS A 434 -5.346 8.155 2.933 1.00 0.00 N ATOM 591 CA CYS A 434 -5.005 9.377 3.651 1.00 0.00 C ATOM 592 C CYS A 434 -6.079 10.440 3.440 1.00 0.00 C ATOM 593 O CYS A 434 -6.092 11.128 2.419 1.00 0.00 O ATOM 594 CB CYS A 434 -3.647 9.901 3.183 1.00 0.00 C ATOM 595 SG CYS A 434 -2.965 11.219 4.217 1.00 0.00 S ATOM 0 H CYS A 434 -4.805 8.002 2.082 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.949 9.149 4.715 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.940 9.072 3.157 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.744 10.269 2.162 1.00 0.00 H new ATOM 600 N THR A 435 -6.980 10.565 4.410 1.00 0.00 N ATOM 601 CA THR A 435 -8.061 11.541 4.326 1.00 0.00 C ATOM 602 C THR A 435 -7.692 12.842 5.032 1.00 0.00 C ATOM 603 O THR A 435 -8.236 13.165 6.089 1.00 0.00 O ATOM 604 CB THR A 435 -9.363 10.988 4.937 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.343 12.028 5.029 1.00 0.00 O ATOM 606 CG2 THR A 435 -9.106 10.403 6.319 1.00 0.00 C ATOM 0 H THR A 435 -6.983 10.004 5.262 1.00 0.00 H new ATOM 0 HA THR A 435 -8.220 11.743 3.267 1.00 0.00 H new ATOM 0 HB THR A 435 -9.735 10.196 4.287 1.00 0.00 H new ATOM 0 HG1 THR A 435 -10.066 12.679 5.707 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.039 10.019 6.731 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.382 9.592 6.242 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.712 11.179 6.975 1.00 0.00 H new ATOM 614 N THR A 436 -6.767 13.589 4.439 1.00 0.00 N ATOM 615 CA THR A 436 -6.329 14.859 5.007 1.00 0.00 C ATOM 616 C THR A 436 -7.011 16.032 4.308 1.00 0.00 C ATOM 617 O THR A 436 -7.558 15.880 3.216 1.00 0.00 O ATOM 618 CB THR A 436 -4.799 15.023 4.906 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.215 13.842 4.344 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.189 15.291 6.273 1.00 0.00 C ATOM 0 H THR A 436 -6.306 13.337 3.565 1.00 0.00 H new ATOM 0 HA THR A 436 -6.612 14.854 6.060 1.00 0.00 H new ATOM 0 HB THR A 436 -4.592 15.876 4.260 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.925 13.245 5.065 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.109 15.403 6.174 1.00 0.00 H new ATOM 0 HG22 THR A 436 -4.612 16.206 6.687 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.408 14.456 6.939 1.00 0.00 H new ATOM 628 N PRO A 437 -6.986 17.225 4.928 1.00 0.00 N ATOM 629 CA PRO A 437 -7.606 18.424 4.355 1.00 0.00 C ATOM 630 C PRO A 437 -7.128 18.699 2.933 1.00 0.00 C ATOM 631 O PRO A 437 -6.143 19.408 2.725 1.00 0.00 O ATOM 632 CB PRO A 437 -7.156 19.545 5.297 1.00 0.00 C ATOM 633 CG PRO A 437 -6.876 18.861 6.590 1.00 0.00 C ATOM 634 CD PRO A 437 -6.355 17.498 6.232 1.00 0.00 C ATOM 0 HA PRO A 437 -8.689 18.325 4.278 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -6.269 20.050 4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -7.931 20.303 5.409 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -6.144 19.417 7.175 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -7.779 18.787 7.196 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -5.267 17.489 6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -6.633 16.753 6.977 1.00 0.00 H new ATOM 642 N GLY A 438 -7.832 18.133 1.959 1.00 0.00 N ATOM 643 CA GLY A 438 -7.463 18.327 0.569 1.00 0.00 C ATOM 644 C GLY A 438 -6.760 17.120 -0.020 1.00 0.00 C ATOM 645 O GLY A 438 -6.829 16.879 -1.226 1.00 0.00 O ATOM 0 H GLY A 438 -8.651 17.544 2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -8.358 18.542 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.812 19.198 0.487 1.00 0.00 H new ATOM 649 N CYS A 439 -6.080 16.359 0.832 1.00 0.00 N ATOM 650 CA CYS A 439 -5.361 15.170 0.391 1.00 0.00 C ATOM 651 C CYS A 439 -6.291 13.961 0.336 1.00 0.00 C ATOM 652 O CYS A 439 -7.066 13.719 1.261 1.00 0.00 O ATOM 653 CB CYS A 439 -4.185 14.884 1.328 1.00 0.00 C ATOM 654 SG CYS A 439 -3.202 13.441 0.862 1.00 0.00 S ATOM 0 H CYS A 439 -6.012 16.545 1.833 1.00 0.00 H new ATOM 0 HA CYS A 439 -4.979 15.357 -0.613 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.535 15.759 1.355 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.567 14.739 2.339 1.00 0.00 H new ATOM 659 N GLY A 440 -6.206 13.205 -0.754 1.00 0.00 N ATOM 660 CA GLY A 440 -7.045 12.031 -0.909 1.00 0.00 C ATOM 661 C GLY A 440 -6.283 10.843 -1.465 1.00 0.00 C ATOM 662 O GLY A 440 -6.586 10.357 -2.553 1.00 0.00 O ATOM 0 H GLY A 440 -5.571 13.384 -1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.473 11.764 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.877 12.268 -1.572 1.00 0.00 H new ATOM 666 N VAL A 441 -5.290 10.375 -0.714 1.00 0.00 N ATOM 667 CA VAL A 441 -4.481 9.239 -1.138 1.00 0.00 C ATOM 668 C VAL A 441 -5.127 7.921 -0.722 1.00 0.00 C ATOM 669 O VAL A 441 -5.908 7.873 0.228 1.00 0.00 O ATOM 670 CB VAL A 441 -3.058 9.309 -0.551 1.00 0.00 C ATOM 671 CG1 VAL A 441 -2.186 8.204 -1.126 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.439 10.675 -0.809 1.00 0.00 C ATOM 0 H VAL A 441 -5.027 10.766 0.191 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.418 9.284 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 441 -3.124 9.163 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -1.185 8.271 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.620 7.234 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -2.126 8.314 -2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.434 10.705 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.387 10.854 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -3.052 11.446 -0.342 1.00 0.00 H new ATOM 682 N ARG A 442 -4.793 6.853 -1.441 1.00 0.00 N ATOM 683 CA ARG A 442 -5.339 5.533 -1.146 1.00 0.00 C ATOM 684 C ARG A 442 -4.278 4.453 -1.332 1.00 0.00 C ATOM 685 O ARG A 442 -3.722 4.294 -2.419 1.00 0.00 O ATOM 686 CB ARG A 442 -6.541 5.242 -2.046 1.00 0.00 C ATOM 687 CG ARG A 442 -7.669 6.252 -1.901 1.00 0.00 C ATOM 688 CD ARG A 442 -9.012 5.568 -1.696 1.00 0.00 C ATOM 689 NE ARG A 442 -10.072 6.196 -2.480 1.00 0.00 N ATOM 690 CZ ARG A 442 -10.206 6.052 -3.796 1.00 0.00 C ATOM 691 NH1 ARG A 442 -9.348 5.303 -4.479 1.00 0.00 N ATOM 692 NH2 ARG A 442 -11.200 6.657 -4.432 1.00 0.00 N ATOM 0 H ARG A 442 -4.148 6.876 -2.231 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.663 5.525 -0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -6.211 5.225 -3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.923 4.247 -1.817 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -7.463 6.910 -1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.712 6.880 -2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.930 4.517 -1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -9.277 5.598 -0.639 1.00 0.00 H new ATOM 0 HE ARG A 442 -10.750 6.780 -1.990 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -8.582 4.835 -3.995 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -9.455 5.196 -5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -11.862 7.233 -3.912 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -11.302 6.546 -5.441 1.00 0.00 H new ATOM 706 N LYS A 443 -4.000 3.713 -0.263 1.00 0.00 N ATOM 707 CA LYS A 443 -3.005 2.647 -0.307 1.00 0.00 C ATOM 708 C LYS A 443 -3.644 1.293 -0.022 1.00 0.00 C ATOM 709 O LYS A 443 -4.737 1.216 0.541 1.00 0.00 O ATOM 710 CB LYS A 443 -1.890 2.921 0.705 1.00 0.00 C ATOM 711 CG LYS A 443 -2.375 2.968 2.144 1.00 0.00 C ATOM 712 CD LYS A 443 -1.233 3.247 3.107 1.00 0.00 C ATOM 713 CE LYS A 443 -1.406 2.487 4.414 1.00 0.00 C ATOM 714 NZ LYS A 443 -1.138 3.350 5.598 1.00 0.00 N ATOM 0 H LYS A 443 -4.450 3.832 0.645 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.579 2.623 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -1.128 2.147 0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.413 3.870 0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.137 3.741 2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -2.846 2.019 2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.288 2.965 2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.181 4.316 3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.421 2.094 4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -0.731 1.631 4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -1.535 2.904 6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -0.112 3.469 5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -1.581 4.280 5.457 1.00 0.00 H new ATOM 728 N HIS A 444 -2.955 0.225 -0.413 1.00 0.00 N ATOM 729 CA HIS A 444 -3.455 -1.128 -0.199 1.00 0.00 C ATOM 730 C HIS A 444 -2.452 -1.957 0.598 1.00 0.00 C ATOM 731 O HIS A 444 -1.293 -2.090 0.208 1.00 0.00 O ATOM 732 CB HIS A 444 -3.742 -1.806 -1.540 1.00 0.00 C ATOM 733 CG HIS A 444 -4.608 -0.991 -2.449 1.00 0.00 C ATOM 734 ND1 HIS A 444 -5.624 -0.138 -2.177 1.00 0.00 N flip ATOM 735 CD2 HIS A 444 -4.475 -1.000 -3.822 1.00 0.00 C flip ATOM 736 CE1 HIS A 444 -6.080 0.345 -3.378 1.00 0.00 C flip ATOM 737 NE2 HIS A 444 -5.371 -0.189 -4.355 1.00 0.00 N flip ATOM 0 H HIS A 444 -2.049 0.271 -0.880 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.381 -1.061 0.372 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.797 -2.014 -2.042 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -4.224 -2.766 -1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -3.751 -1.580 -4.375 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -6.889 1.049 -3.504 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -5.494 -0.007 -5.351 1.00 0.00 H new ATOM 746 N VAL A 445 -2.908 -2.512 1.716 1.00 0.00 N ATOM 747 CA VAL A 445 -2.051 -3.328 2.566 1.00 0.00 C ATOM 748 C VAL A 445 -2.396 -4.809 2.437 1.00 0.00 C ATOM 749 O VAL A 445 -3.473 -5.244 2.848 1.00 0.00 O ATOM 750 CB VAL A 445 -2.168 -2.914 4.045 1.00 0.00 C ATOM 751 CG1 VAL A 445 -1.125 -3.634 4.887 1.00 0.00 C ATOM 752 CG2 VAL A 445 -2.028 -1.405 4.189 1.00 0.00 C ATOM 0 H VAL A 445 -3.865 -2.411 2.054 1.00 0.00 H new ATOM 0 HA VAL A 445 -1.027 -3.165 2.230 1.00 0.00 H new ATOM 0 HB VAL A 445 -3.155 -3.202 4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -1.224 -3.328 5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.275 -4.711 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.128 -3.379 4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -2.113 -1.130 5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.055 -1.092 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.815 -0.911 3.620 1.00 0.00 H new ATOM 762 N GLU A 446 -1.477 -5.578 1.865 1.00 0.00 N ATOM 763 CA GLU A 446 -1.684 -7.010 1.681 1.00 0.00 C ATOM 764 C GLU A 446 -0.450 -7.797 2.110 1.00 0.00 C ATOM 765 O GLU A 446 0.682 -7.373 1.876 1.00 0.00 O ATOM 766 CB GLU A 446 -2.017 -7.315 0.220 1.00 0.00 C ATOM 767 CG GLU A 446 -2.300 -8.785 -0.045 1.00 0.00 C ATOM 768 CD GLU A 446 -2.143 -9.155 -1.506 1.00 0.00 C ATOM 769 OE1 GLU A 446 -1.130 -8.751 -2.115 1.00 0.00 O ATOM 770 OE2 GLU A 446 -3.032 -9.849 -2.041 1.00 0.00 O ATOM 0 H GLU A 446 -0.581 -5.234 1.520 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.522 -7.315 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -2.886 -6.727 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -1.186 -6.995 -0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -1.625 -9.395 0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -3.314 -9.020 0.278 1.00 0.00 H new ATOM 777 N ARG A 447 -0.675 -8.946 2.738 1.00 0.00 N ATOM 778 CA ARG A 447 0.419 -9.792 3.198 1.00 0.00 C ATOM 779 C ARG A 447 0.598 -10.998 2.280 1.00 0.00 C ATOM 780 O ARG A 447 -0.326 -11.787 2.087 1.00 0.00 O ATOM 781 CB ARG A 447 0.158 -10.264 4.631 1.00 0.00 C ATOM 782 CG ARG A 447 0.463 -9.209 5.682 1.00 0.00 C ATOM 783 CD ARG A 447 0.981 -9.837 6.966 1.00 0.00 C ATOM 784 NE ARG A 447 0.801 -8.955 8.118 1.00 0.00 N ATOM 785 CZ ARG A 447 -0.363 -8.772 8.737 1.00 0.00 C ATOM 786 NH1 ARG A 447 -1.451 -9.407 8.320 1.00 0.00 N ATOM 787 NH2 ARG A 447 -0.438 -7.952 9.776 1.00 0.00 N ATOM 0 H ARG A 447 -1.605 -9.312 2.940 1.00 0.00 H new ATOM 0 HA ARG A 447 1.335 -9.202 3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -0.886 -10.565 4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 447 0.763 -11.149 4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 447 1.203 -8.510 5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -0.438 -8.634 5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 447 0.461 -10.778 7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 447 2.039 -10.074 6.853 1.00 0.00 H new ATOM 0 HE ARG A 447 1.615 -8.450 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -1.398 -10.039 7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -2.340 -9.263 8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 447 0.396 -7.462 10.100 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -1.330 -7.811 10.251 1.00 0.00 H new ATOM 801 N ALA A 448 1.793 -11.132 1.716 1.00 0.00 N ATOM 802 CA ALA A 448 2.093 -12.240 0.818 1.00 0.00 C ATOM 803 C ALA A 448 2.321 -13.532 1.597 1.00 0.00 C ATOM 804 O ALA A 448 3.221 -13.615 2.433 1.00 0.00 O ATOM 805 CB ALA A 448 3.312 -11.911 -0.035 1.00 0.00 C ATOM 0 H ALA A 448 2.569 -10.487 1.865 1.00 0.00 H new ATOM 0 HA ALA A 448 1.234 -12.389 0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 448 3.526 -12.747 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 448 3.112 -11.017 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 448 4.171 -11.734 0.612 1.00 0.00 H new ATOM 811 N ALA A 449 1.496 -14.536 1.317 1.00 0.00 N ATOM 812 CA ALA A 449 1.601 -15.824 1.988 1.00 0.00 C ATOM 813 C ALA A 449 2.603 -16.735 1.283 1.00 0.00 C ATOM 814 O ALA A 449 3.214 -17.601 1.907 1.00 0.00 O ATOM 815 CB ALA A 449 0.238 -16.494 2.063 1.00 0.00 C ATOM 0 H ALA A 449 0.746 -14.481 0.628 1.00 0.00 H new ATOM 0 HA ALA A 449 1.963 -15.647 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 449 0.333 -17.456 2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.450 -15.858 2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.147 -16.649 1.055 1.00 0.00 H new ATOM 821 N THR A 450 2.765 -16.534 -0.023 1.00 0.00 N ATOM 822 CA THR A 450 3.691 -17.337 -0.813 1.00 0.00 C ATOM 823 C THR A 450 5.079 -17.362 -0.179 1.00 0.00 C ATOM 824 O THR A 450 5.805 -18.350 -0.285 1.00 0.00 O ATOM 825 CB THR A 450 3.808 -16.805 -2.254 1.00 0.00 C ATOM 826 OG1 THR A 450 4.310 -15.463 -2.242 1.00 0.00 O ATOM 827 CG2 THR A 450 2.457 -16.840 -2.954 1.00 0.00 C ATOM 0 H THR A 450 2.266 -15.821 -0.555 1.00 0.00 H new ATOM 0 HA THR A 450 3.288 -18.349 -0.838 1.00 0.00 H new ATOM 0 HB THR A 450 4.500 -17.446 -2.800 1.00 0.00 H new ATOM 0 HG1 THR A 450 4.383 -15.133 -3.162 1.00 0.00 H new ATOM 0 HG21 THR A 450 2.564 -16.460 -3.970 1.00 0.00 H new ATOM 0 HG22 THR A 450 2.091 -17.866 -2.987 1.00 0.00 H new ATOM 0 HG23 THR A 450 1.748 -16.219 -2.407 1.00 0.00 H new ATOM 835 N ASP A 451 5.439 -16.268 0.482 1.00 0.00 N ATOM 836 CA ASP A 451 6.736 -16.161 1.139 1.00 0.00 C ATOM 837 C ASP A 451 6.606 -16.423 2.638 1.00 0.00 C ATOM 838 O ASP A 451 5.526 -16.271 3.210 1.00 0.00 O ATOM 839 CB ASP A 451 7.338 -14.772 0.897 1.00 0.00 C ATOM 840 CG ASP A 451 8.589 -14.825 0.043 1.00 0.00 C ATOM 841 OD1 ASP A 451 8.718 -15.769 -0.765 1.00 0.00 O ATOM 842 OD2 ASP A 451 9.442 -13.922 0.181 1.00 0.00 O ATOM 0 H ASP A 451 4.850 -15.441 0.577 1.00 0.00 H new ATOM 0 HA ASP A 451 7.399 -16.914 0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 451 6.597 -14.137 0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.575 -14.310 1.855 1.00 0.00 H new ATOM 847 N PRO A 452 7.708 -16.818 3.298 1.00 0.00 N ATOM 848 CA PRO A 452 7.710 -17.098 4.737 1.00 0.00 C ATOM 849 C PRO A 452 7.142 -15.939 5.550 1.00 0.00 C ATOM 850 O PRO A 452 6.658 -16.130 6.666 1.00 0.00 O ATOM 851 CB PRO A 452 9.194 -17.316 5.073 1.00 0.00 C ATOM 852 CG PRO A 452 9.949 -16.831 3.878 1.00 0.00 C ATOM 853 CD PRO A 452 9.036 -17.022 2.705 1.00 0.00 C ATOM 0 HA PRO A 452 7.083 -17.955 4.981 1.00 0.00 H new ATOM 0 HB2 PRO A 452 9.479 -16.763 5.968 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.402 -18.368 5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.225 -15.783 3.990 1.00 0.00 H new ATOM 0 HG3 PRO A 452 10.874 -17.392 3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 452 9.240 -16.304 1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 452 9.137 -18.016 2.270 1.00 0.00 H new ATOM 861 N LYS A 453 7.203 -14.738 4.984 1.00 0.00 N ATOM 862 CA LYS A 453 6.693 -13.548 5.654 1.00 0.00 C ATOM 863 C LYS A 453 6.857 -12.315 4.768 1.00 0.00 C ATOM 864 O LYS A 453 7.763 -11.509 4.971 1.00 0.00 O ATOM 865 CB LYS A 453 7.416 -13.336 6.987 1.00 0.00 C ATOM 866 CG LYS A 453 6.564 -13.670 8.201 1.00 0.00 C ATOM 867 CD LYS A 453 5.770 -12.463 8.673 1.00 0.00 C ATOM 868 CE LYS A 453 4.356 -12.471 8.113 1.00 0.00 C ATOM 869 NZ LYS A 453 3.537 -13.573 8.688 1.00 0.00 N ATOM 0 H LYS A 453 7.601 -14.563 4.061 1.00 0.00 H new ATOM 0 HA LYS A 453 5.631 -13.696 5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 453 8.316 -13.951 7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.739 -12.297 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.881 -14.483 7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 453 7.203 -14.025 9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 453 5.731 -12.456 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 453 6.279 -11.549 8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 453 3.877 -11.515 8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 453 4.396 -12.576 7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 2.528 -13.334 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 3.727 -14.454 8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 3.783 -13.701 9.690 1.00 0.00 H new ATOM 883 N ALA A 454 5.973 -12.179 3.783 1.00 0.00 N ATOM 884 CA ALA A 454 6.024 -11.046 2.867 1.00 0.00 C ATOM 885 C ALA A 454 4.843 -10.108 3.088 1.00 0.00 C ATOM 886 O ALA A 454 3.723 -10.551 3.347 1.00 0.00 O ATOM 887 CB ALA A 454 6.051 -11.533 1.426 1.00 0.00 C ATOM 0 H ALA A 454 5.216 -12.837 3.600 1.00 0.00 H new ATOM 0 HA ALA A 454 6.939 -10.489 3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 454 6.089 -10.676 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 454 6.931 -12.157 1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 454 5.152 -12.115 1.222 1.00 0.00 H new ATOM 893 N VAL A 455 5.100 -8.808 2.985 1.00 0.00 N ATOM 894 CA VAL A 455 4.058 -7.805 3.175 1.00 0.00 C ATOM 895 C VAL A 455 4.162 -6.703 2.126 1.00 0.00 C ATOM 896 O VAL A 455 4.873 -5.715 2.316 1.00 0.00 O ATOM 897 CB VAL A 455 4.135 -7.172 4.576 1.00 0.00 C ATOM 898 CG1 VAL A 455 2.929 -6.281 4.827 1.00 0.00 C ATOM 899 CG2 VAL A 455 4.241 -8.250 5.642 1.00 0.00 C ATOM 0 H VAL A 455 6.021 -8.424 2.771 1.00 0.00 H new ATOM 0 HA VAL A 455 3.102 -8.318 3.069 1.00 0.00 H new ATOM 0 HB VAL A 455 5.031 -6.553 4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 455 3.001 -5.843 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 455 2.902 -5.486 4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 455 2.017 -6.874 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 455 4.294 -7.784 6.626 1.00 0.00 H new ATOM 0 HG22 VAL A 455 3.365 -8.897 5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 455 5.140 -8.843 5.472 1.00 0.00 H new ATOM 909 N VAL A 456 3.449 -6.878 1.019 1.00 0.00 N ATOM 910 CA VAL A 456 3.460 -5.899 -0.060 1.00 0.00 C ATOM 911 C VAL A 456 2.488 -4.757 0.225 1.00 0.00 C ATOM 912 O VAL A 456 1.347 -4.984 0.626 1.00 0.00 O ATOM 913 CB VAL A 456 3.097 -6.548 -1.411 1.00 0.00 C ATOM 914 CG1 VAL A 456 1.697 -7.141 -1.366 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.223 -5.537 -2.542 1.00 0.00 C ATOM 0 H VAL A 456 2.856 -7.690 0.846 1.00 0.00 H new ATOM 0 HA VAL A 456 4.473 -5.502 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 456 3.800 -7.359 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.462 -7.593 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.649 -7.902 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 456 0.975 -6.354 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 456 2.963 -6.014 -3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.548 -4.701 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.249 -5.171 -2.591 1.00 0.00 H new ATOM 925 N THR A 457 2.951 -3.528 0.014 1.00 0.00 N ATOM 926 CA THR A 457 2.122 -2.352 0.248 1.00 0.00 C ATOM 927 C THR A 457 2.150 -1.415 -0.954 1.00 0.00 C ATOM 928 O THR A 457 3.212 -0.941 -1.361 1.00 0.00 O ATOM 929 CB THR A 457 2.584 -1.578 1.497 1.00 0.00 C ATOM 930 OG1 THR A 457 2.720 -2.473 2.607 1.00 0.00 O ATOM 931 CG2 THR A 457 1.597 -0.475 1.846 1.00 0.00 C ATOM 0 H THR A 457 3.893 -3.322 -0.318 1.00 0.00 H new ATOM 0 HA THR A 457 1.104 -2.708 0.407 1.00 0.00 H new ATOM 0 HB THR A 457 3.550 -1.123 1.278 1.00 0.00 H new ATOM 0 HG1 THR A 457 3.016 -1.973 3.396 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.945 0.058 2.731 1.00 0.00 H new ATOM 0 HG22 THR A 457 1.519 0.221 1.011 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.619 -0.912 2.046 1.00 0.00 H new ATOM 939 N THR A 458 0.976 -1.150 -1.520 1.00 0.00 N ATOM 940 CA THR A 458 0.866 -0.270 -2.675 1.00 0.00 C ATOM 941 C THR A 458 0.519 1.153 -2.251 1.00 0.00 C ATOM 942 O THR A 458 -0.112 1.365 -1.215 1.00 0.00 O ATOM 943 CB THR A 458 -0.202 -0.773 -3.666 1.00 0.00 C ATOM 944 OG1 THR A 458 -0.160 -2.201 -3.748 1.00 0.00 O ATOM 945 CG2 THR A 458 0.016 -0.173 -5.047 1.00 0.00 C ATOM 0 H THR A 458 0.088 -1.533 -1.196 1.00 0.00 H new ATOM 0 HA THR A 458 1.838 -0.273 -3.168 1.00 0.00 H new ATOM 0 HB THR A 458 -1.180 -0.460 -3.302 1.00 0.00 H new ATOM 0 HG1 THR A 458 -0.843 -2.513 -4.378 1.00 0.00 H new ATOM 0 HG21 THR A 458 -0.750 -0.542 -5.729 1.00 0.00 H new ATOM 0 HG22 THR A 458 -0.046 0.913 -4.986 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.000 -0.460 -5.417 1.00 0.00 H new ATOM 953 N TYR A 459 0.935 2.124 -3.056 1.00 0.00 N ATOM 954 CA TYR A 459 0.668 3.528 -2.763 1.00 0.00 C ATOM 955 C TYR A 459 0.172 4.259 -4.006 1.00 0.00 C ATOM 956 O TYR A 459 0.939 4.521 -4.931 1.00 0.00 O ATOM 957 CB TYR A 459 1.930 4.206 -2.227 1.00 0.00 C ATOM 958 CG TYR A 459 2.079 4.108 -0.725 1.00 0.00 C ATOM 959 CD1 TYR A 459 2.524 2.934 -0.128 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.776 5.188 0.095 1.00 0.00 C ATOM 961 CE1 TYR A 459 2.662 2.840 1.245 1.00 0.00 C ATOM 962 CE2 TYR A 459 1.913 5.101 1.468 1.00 0.00 C ATOM 963 CZ TYR A 459 2.355 3.925 2.037 1.00 0.00 C ATOM 964 OH TYR A 459 2.492 3.836 3.403 1.00 0.00 O ATOM 0 H TYR A 459 1.459 1.965 -3.917 1.00 0.00 H new ATOM 0 HA TYR A 459 -0.112 3.573 -2.003 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.803 3.756 -2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.918 5.257 -2.515 1.00 0.00 H new ATOM 0 HD1 TYR A 459 2.766 2.082 -0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 459 1.428 6.110 -0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 459 3.009 1.921 1.694 1.00 0.00 H new ATOM 0 HE2 TYR A 459 1.675 5.950 2.092 1.00 0.00 H new ATOM 0 HH TYR A 459 2.236 4.688 3.814 1.00 0.00 H new ATOM 974 N GLU A 460 -1.117 4.585 -4.019 1.00 0.00 N ATOM 975 CA GLU A 460 -1.716 5.286 -5.147 1.00 0.00 C ATOM 976 C GLU A 460 -2.060 6.725 -4.776 1.00 0.00 C ATOM 977 O GLU A 460 -2.899 6.969 -3.909 1.00 0.00 O ATOM 978 CB GLU A 460 -2.976 4.555 -5.618 1.00 0.00 C ATOM 979 CG GLU A 460 -2.698 3.453 -6.628 1.00 0.00 C ATOM 980 CD GLU A 460 -2.692 3.959 -8.055 1.00 0.00 C ATOM 981 OE1 GLU A 460 -2.081 5.018 -8.308 1.00 0.00 O ATOM 982 OE2 GLU A 460 -3.301 3.297 -8.923 1.00 0.00 O ATOM 0 H GLU A 460 -1.766 4.374 -3.261 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.988 5.303 -5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.481 4.125 -4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.661 5.278 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -1.734 2.995 -6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -3.453 2.673 -6.526 1.00 0.00 H new ATOM 989 N GLY A 461 -1.406 7.674 -5.439 1.00 0.00 N ATOM 990 CA GLY A 461 -1.656 9.077 -5.164 1.00 0.00 C ATOM 991 C GLY A 461 -0.627 9.678 -4.228 1.00 0.00 C ATOM 992 O GLY A 461 -0.211 9.042 -3.259 1.00 0.00 O ATOM 0 H GLY A 461 -0.708 7.496 -6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.658 9.633 -6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.648 9.187 -4.726 1.00 0.00 H new ATOM 996 N LYS A 462 -0.214 10.908 -4.518 1.00 0.00 N ATOM 997 CA LYS A 462 0.773 11.596 -3.695 1.00 0.00 C ATOM 998 C LYS A 462 0.095 12.428 -2.612 1.00 0.00 C ATOM 999 O LYS A 462 -1.130 12.549 -2.583 1.00 0.00 O ATOM 1000 CB LYS A 462 1.657 12.493 -4.565 1.00 0.00 C ATOM 1001 CG LYS A 462 2.806 11.754 -5.230 1.00 0.00 C ATOM 1002 CD LYS A 462 4.045 11.746 -4.351 1.00 0.00 C ATOM 1003 CE LYS A 462 5.225 11.094 -5.056 1.00 0.00 C ATOM 1004 NZ LYS A 462 6.204 10.524 -4.090 1.00 0.00 N ATOM 0 H LYS A 462 -0.548 11.448 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 462 1.395 10.842 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 462 1.042 12.959 -5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 462 2.061 13.297 -3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 462 2.505 10.729 -5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 462 3.039 12.225 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 462 4.304 12.769 -4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 462 3.832 11.211 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 462 4.863 10.304 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 462 5.724 11.831 -5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 6.992 10.089 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 6.569 11.281 -3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 5.735 9.802 -3.506 1.00 0.00 H new ATOM 1018 N HIS A 463 0.899 13.003 -1.723 1.00 0.00 N ATOM 1019 CA HIS A 463 0.376 13.824 -0.639 1.00 0.00 C ATOM 1020 C HIS A 463 0.414 15.303 -1.008 1.00 0.00 C ATOM 1021 O HIS A 463 1.417 15.801 -1.519 1.00 0.00 O ATOM 1022 CB HIS A 463 1.180 13.587 0.642 1.00 0.00 C ATOM 1023 CG HIS A 463 1.046 12.198 1.184 1.00 0.00 C ATOM 1024 ND1 HIS A 463 -0.008 11.797 1.978 1.00 0.00 N ATOM 1025 CD2 HIS A 463 1.841 11.110 1.043 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.143 10.526 2.303 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.256 10.085 1.748 1.00 0.00 N ATOM 0 H HIS A 463 1.915 12.915 -1.733 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.662 13.537 -0.469 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.232 13.791 0.444 1.00 0.00 H new ATOM 0 HB3 HIS A 463 0.855 14.298 1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.762 11.058 0.482 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.530 9.946 2.918 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.623 9.137 1.829 1.00 0.00 H new ATOM 1035 N ASN A 464 -0.686 16.002 -0.747 1.00 0.00 N ATOM 1036 CA ASN A 464 -0.780 17.424 -1.053 1.00 0.00 C ATOM 1037 C ASN A 464 -0.639 18.263 0.214 1.00 0.00 C ATOM 1038 O ASN A 464 -1.217 19.344 0.322 1.00 0.00 O ATOM 1039 CB ASN A 464 -2.111 17.734 -1.739 1.00 0.00 C ATOM 1040 CG ASN A 464 -2.009 17.680 -3.251 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -1.393 18.547 -3.875 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -2.614 16.662 -3.850 1.00 0.00 N ATOM 0 H ASN A 464 -1.525 15.606 -0.324 1.00 0.00 H new ATOM 0 HA ASN A 464 0.036 17.679 -1.729 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -2.864 17.022 -1.403 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -2.451 18.724 -1.436 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -2.580 16.575 -4.866 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -3.113 15.967 -3.295 1.00 0.00 H new ATOM 1049 N HIS A 465 0.133 17.757 1.170 1.00 0.00 N ATOM 1050 CA HIS A 465 0.351 18.461 2.429 1.00 0.00 C ATOM 1051 C HIS A 465 1.700 18.087 3.034 1.00 0.00 C ATOM 1052 O HIS A 465 2.252 17.027 2.739 1.00 0.00 O ATOM 1053 CB HIS A 465 -0.772 18.138 3.417 1.00 0.00 C ATOM 1054 CG HIS A 465 -0.857 16.686 3.772 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.514 16.193 5.014 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.250 15.616 3.041 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -0.692 14.882 5.030 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.138 14.509 3.846 1.00 0.00 N ATOM 0 H HIS A 465 0.618 16.863 1.097 1.00 0.00 H new ATOM 0 HA HIS A 465 0.350 19.532 2.224 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -0.622 18.718 4.328 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -1.723 18.456 2.990 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -0.176 16.752 5.798 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.589 15.630 2.016 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.504 14.229 5.869 1.00 0.00 H new ATOM 1066 N ASP A 466 2.224 18.965 3.883 1.00 0.00 N ATOM 1067 CA ASP A 466 3.509 18.727 4.531 1.00 0.00 C ATOM 1068 C ASP A 466 3.350 17.800 5.732 1.00 0.00 C ATOM 1069 O ASP A 466 2.239 17.578 6.213 1.00 0.00 O ATOM 1070 CB ASP A 466 4.134 20.051 4.973 1.00 0.00 C ATOM 1071 CG ASP A 466 4.347 21.006 3.816 1.00 0.00 C ATOM 1072 OD1 ASP A 466 3.365 21.648 3.387 1.00 0.00 O ATOM 1073 OD2 ASP A 466 5.496 21.112 3.336 1.00 0.00 O ATOM 0 H ASP A 466 1.779 19.847 4.138 1.00 0.00 H new ATOM 0 HA ASP A 466 4.168 18.246 3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 466 3.491 20.523 5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 466 5.090 19.854 5.458 1.00 0.00 H new ATOM 1078 N LEU A 467 4.467 17.261 6.209 1.00 0.00 N ATOM 1079 CA LEU A 467 4.450 16.359 7.353 1.00 0.00 C ATOM 1080 C LEU A 467 4.123 17.116 8.639 1.00 0.00 C ATOM 1081 O LEU A 467 4.816 18.068 8.997 1.00 0.00 O ATOM 1082 CB LEU A 467 5.803 15.655 7.492 1.00 0.00 C ATOM 1083 CG LEU A 467 6.215 14.801 6.292 1.00 0.00 C ATOM 1084 CD1 LEU A 467 7.710 14.921 6.037 1.00 0.00 C ATOM 1085 CD2 LEU A 467 5.826 13.347 6.515 1.00 0.00 C ATOM 0 H LEU A 467 5.394 17.433 5.821 1.00 0.00 H new ATOM 0 HA LEU A 467 3.674 15.612 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 467 6.572 16.409 7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 467 5.776 15.021 8.378 1.00 0.00 H new ATOM 0 HG LEU A 467 5.687 15.168 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 467 7.983 14.306 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 467 7.962 15.962 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 467 8.257 14.581 6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 467 6.126 12.753 5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 467 6.326 12.969 7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 467 4.746 13.275 6.647 1.00 0.00 H new ATOM 1097 N PRO A 468 3.063 16.703 9.359 1.00 0.00 N ATOM 1098 CA PRO A 468 2.658 17.355 10.607 1.00 0.00 C ATOM 1099 C PRO A 468 3.627 17.070 11.750 1.00 0.00 C ATOM 1100 O PRO A 468 4.506 16.216 11.632 1.00 0.00 O ATOM 1101 CB PRO A 468 1.289 16.740 10.902 1.00 0.00 C ATOM 1102 CG PRO A 468 1.326 15.406 10.242 1.00 0.00 C ATOM 1103 CD PRO A 468 2.177 15.575 9.013 1.00 0.00 C ATOM 0 HA PRO A 468 2.641 18.441 10.512 1.00 0.00 H new ATOM 0 HB2 PRO A 468 1.119 16.647 11.975 1.00 0.00 H new ATOM 0 HB3 PRO A 468 0.483 17.357 10.504 1.00 0.00 H new ATOM 0 HG2 PRO A 468 1.747 14.653 10.908 1.00 0.00 H new ATOM 0 HG3 PRO A 468 0.322 15.073 9.979 1.00 0.00 H new ATOM 0 HD2 PRO A 468 2.745 14.672 8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 468 1.572 15.795 8.133 1.00 0.00 H new ATOM 1111 N ALA A 469 3.461 17.789 12.855 1.00 0.00 N ATOM 1112 CA ALA A 469 4.321 17.612 14.019 1.00 0.00 C ATOM 1113 C ALA A 469 3.698 16.647 15.021 1.00 0.00 C ATOM 1114 O ALA A 469 4.278 15.562 15.235 1.00 0.00 O ATOM 1115 CB ALA A 469 4.598 18.955 14.679 1.00 0.00 C ATOM 1116 OXT ALA A 469 2.636 16.983 15.583 1.00 0.00 O ATOM 0 H ALA A 469 2.739 18.500 12.969 1.00 0.00 H new ATOM 0 HA ALA A 469 5.264 17.184 13.681 1.00 0.00 H new ATOM 0 HB1 ALA A 469 5.241 18.808 15.547 1.00 0.00 H new ATOM 0 HB2 ALA A 469 5.094 19.615 13.967 1.00 0.00 H new ATOM 0 HB3 ALA A 469 3.657 19.405 14.997 1.00 0.00 H new TER 1122 ALA A 469 HETATM 1123 ZN ZN A 470 -1.744 12.779 2.744 1.00 0.00 ZN