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 427 TYR OH : rot 130:sc= 0.0849 USER MOD Set 1.2: A 453 LYS NZ :NH3+ -129:sc= 0.0245 (180deg=0) USER MOD Set 2.1: A 416 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.062) USER MOD Set 2.2: A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 400 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 401 THR OG1 : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 412 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 417 TYR OH : rot 180:sc= -0.725 USER MOD Single : A 419 GLN : amide:sc= -0.0385 X(o=-0.038,f=0) 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= -3.69! C(o=-3.7!,f=-9.3!) USER MOD Single : A 431 TYR OH : rot 130:sc= 0 USER MOD Single : A 432 TYR OH : rot 180:sc=-0.00241 USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 THR OG1 : rot -72:sc= 0.383 USER MOD Single : A 436 THR OG1 : rot -82:sc= -0.958 USER MOD Single : A 443 LYS NZ :NH3+ -144:sc= 0.262 (180deg=-0.224) USER MOD Single : A 444 HIS :FLIP no HD1:sc= -0.538 F(o=-1.7,f=-0.54) 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+ 156:sc= -0.365 (180deg=-1!) USER MOD Single : A 464 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 399 -22.155 -14.801 14.095 1.00 0.00 N ATOM 2 CA VAL A 399 -20.893 -14.546 14.841 1.00 0.00 C ATOM 3 C VAL A 399 -20.501 -13.074 14.766 1.00 0.00 C ATOM 4 O VAL A 399 -20.794 -12.392 13.784 1.00 0.00 O ATOM 5 CB VAL A 399 -19.732 -15.400 14.292 1.00 0.00 C ATOM 6 CG1 VAL A 399 -20.006 -16.879 14.514 1.00 0.00 C ATOM 7 CG2 VAL A 399 -19.498 -15.107 12.817 1.00 0.00 C ATOM 0 HA VAL A 399 -21.078 -14.821 15.879 1.00 0.00 H new ATOM 0 HB VAL A 399 -18.825 -15.136 14.836 1.00 0.00 H new ATOM 0 HG11 VAL A 399 -19.176 -17.466 14.120 1.00 0.00 H new ATOM 0 HG12 VAL A 399 -20.113 -17.073 15.581 1.00 0.00 H new ATOM 0 HG13 VAL A 399 -20.925 -17.160 14.000 1.00 0.00 H new ATOM 0 HG21 VAL A 399 -18.675 -15.720 12.450 1.00 0.00 H new ATOM 0 HG22 VAL A 399 -20.402 -15.337 12.252 1.00 0.00 H new ATOM 0 HG23 VAL A 399 -19.250 -14.053 12.690 1.00 0.00 H new ATOM 17 N GLN A 400 -19.837 -12.590 15.811 1.00 0.00 N ATOM 18 CA GLN A 400 -19.405 -11.199 15.864 1.00 0.00 C ATOM 19 C GLN A 400 -18.244 -11.026 16.838 1.00 0.00 C ATOM 20 O GLN A 400 -18.449 -10.786 18.027 1.00 0.00 O ATOM 21 CB GLN A 400 -20.569 -10.295 16.276 1.00 0.00 C ATOM 22 CG GLN A 400 -21.384 -9.779 15.101 1.00 0.00 C ATOM 23 CD GLN A 400 -22.256 -8.597 15.473 1.00 0.00 C ATOM 24 OE1 GLN A 400 -22.182 -7.537 14.850 1.00 0.00 O ATOM 25 NE2 GLN A 400 -23.088 -8.770 16.492 1.00 0.00 N ATOM 0 H GLN A 400 -19.587 -13.141 16.632 1.00 0.00 H new ATOM 0 HA GLN A 400 -19.067 -10.913 14.868 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -21.226 -10.846 16.949 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -20.178 -9.446 16.837 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -20.710 -9.489 14.295 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -22.012 -10.583 14.718 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -23.117 -9.665 16.980 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -23.699 -8.008 16.787 1.00 0.00 H new ATOM 34 N THR A 401 -17.024 -11.151 16.326 1.00 0.00 N ATOM 35 CA THR A 401 -15.830 -11.009 17.150 1.00 0.00 C ATOM 36 C THR A 401 -15.224 -9.617 17.002 1.00 0.00 C ATOM 37 O THR A 401 -15.713 -8.794 16.227 1.00 0.00 O ATOM 38 CB THR A 401 -14.767 -12.061 16.786 1.00 0.00 C ATOM 39 OG1 THR A 401 -14.519 -12.040 15.374 1.00 0.00 O ATOM 40 CG2 THR A 401 -15.217 -13.452 17.206 1.00 0.00 C ATOM 0 H THR A 401 -16.837 -11.351 15.343 1.00 0.00 H new ATOM 0 HA THR A 401 -16.139 -11.161 18.184 1.00 0.00 H new ATOM 0 HB THR A 401 -13.848 -11.817 17.319 1.00 0.00 H new ATOM 0 HG1 THR A 401 -13.840 -12.711 15.151 1.00 0.00 H new ATOM 0 HG21 THR A 401 -14.450 -14.179 16.939 1.00 0.00 H new ATOM 0 HG22 THR A 401 -15.377 -13.473 18.284 1.00 0.00 H new ATOM 0 HG23 THR A 401 -16.148 -13.703 16.697 1.00 0.00 H new ATOM 48 N THR A 402 -14.153 -9.362 17.747 1.00 0.00 N ATOM 49 CA THR A 402 -13.479 -8.069 17.699 1.00 0.00 C ATOM 50 C THR A 402 -12.003 -8.208 18.054 1.00 0.00 C ATOM 51 O THR A 402 -11.654 -8.772 19.091 1.00 0.00 O ATOM 52 CB THR A 402 -14.134 -7.057 18.657 1.00 0.00 C ATOM 53 OG1 THR A 402 -15.555 -7.234 18.661 1.00 0.00 O ATOM 54 CG2 THR A 402 -13.797 -5.631 18.249 1.00 0.00 C ATOM 0 H THR A 402 -13.733 -10.033 18.391 1.00 0.00 H new ATOM 0 HA THR A 402 -13.572 -7.701 16.677 1.00 0.00 H new ATOM 0 HB THR A 402 -13.744 -7.234 19.659 1.00 0.00 H new ATOM 0 HG1 THR A 402 -15.963 -6.588 19.274 1.00 0.00 H new ATOM 0 HG21 THR A 402 -14.270 -4.933 18.940 1.00 0.00 H new ATOM 0 HG22 THR A 402 -12.716 -5.491 18.275 1.00 0.00 H new ATOM 0 HG23 THR A 402 -14.162 -5.446 17.239 1.00 0.00 H new ATOM 62 N SER A 403 -11.140 -7.688 17.188 1.00 0.00 N ATOM 63 CA SER A 403 -9.700 -7.752 17.411 1.00 0.00 C ATOM 64 C SER A 403 -9.121 -6.359 17.641 1.00 0.00 C ATOM 65 O SER A 403 -9.603 -5.377 17.078 1.00 0.00 O ATOM 66 CB SER A 403 -9.007 -8.414 16.217 1.00 0.00 C ATOM 67 OG SER A 403 -9.139 -9.824 16.268 1.00 0.00 O ATOM 0 H SER A 403 -11.412 -7.217 16.325 1.00 0.00 H new ATOM 0 HA SER A 403 -9.523 -8.351 18.304 1.00 0.00 H new ATOM 0 HB2 SER A 403 -9.438 -8.039 15.289 1.00 0.00 H new ATOM 0 HB3 SER A 403 -7.951 -8.145 16.210 1.00 0.00 H new ATOM 0 HG SER A 403 -8.690 -10.223 15.494 1.00 0.00 H new ATOM 73 N GLU A 404 -8.086 -6.286 18.471 1.00 0.00 N ATOM 74 CA GLU A 404 -7.441 -5.013 18.776 1.00 0.00 C ATOM 75 C GLU A 404 -6.760 -4.438 17.538 1.00 0.00 C ATOM 76 O GLU A 404 -5.660 -4.851 17.172 1.00 0.00 O ATOM 77 CB GLU A 404 -6.417 -5.193 19.899 1.00 0.00 C ATOM 78 CG GLU A 404 -6.979 -4.918 21.284 1.00 0.00 C ATOM 79 CD GLU A 404 -7.846 -6.051 21.797 1.00 0.00 C ATOM 80 OE1 GLU A 404 -7.406 -7.218 21.719 1.00 0.00 O ATOM 81 OE2 GLU A 404 -8.965 -5.771 22.276 1.00 0.00 O ATOM 0 H GLU A 404 -7.676 -7.091 18.944 1.00 0.00 H new ATOM 0 HA GLU A 404 -8.210 -4.313 19.103 1.00 0.00 H new ATOM 0 HB2 GLU A 404 -6.032 -6.212 19.868 1.00 0.00 H new ATOM 0 HB3 GLU A 404 -5.573 -4.527 19.720 1.00 0.00 H new ATOM 0 HG2 GLU A 404 -6.156 -4.751 21.979 1.00 0.00 H new ATOM 0 HG3 GLU A 404 -7.565 -4.000 21.258 1.00 0.00 H new ATOM 88 N VAL A 405 -7.423 -3.481 16.895 1.00 0.00 N ATOM 89 CA VAL A 405 -6.882 -2.849 15.698 1.00 0.00 C ATOM 90 C VAL A 405 -5.706 -1.940 16.040 1.00 0.00 C ATOM 91 O VAL A 405 -5.856 -0.962 16.771 1.00 0.00 O ATOM 92 CB VAL A 405 -7.955 -2.025 14.962 1.00 0.00 C ATOM 93 CG1 VAL A 405 -8.935 -2.942 14.246 1.00 0.00 C ATOM 94 CG2 VAL A 405 -8.683 -1.107 15.932 1.00 0.00 C ATOM 0 H VAL A 405 -8.335 -3.127 17.183 1.00 0.00 H new ATOM 0 HA VAL A 405 -6.540 -3.652 15.045 1.00 0.00 H new ATOM 0 HB VAL A 405 -7.461 -1.405 14.214 1.00 0.00 H new ATOM 0 HG11 VAL A 405 -9.686 -2.342 13.732 1.00 0.00 H new ATOM 0 HG12 VAL A 405 -8.398 -3.552 13.520 1.00 0.00 H new ATOM 0 HG13 VAL A 405 -9.424 -3.590 14.973 1.00 0.00 H new ATOM 0 HG21 VAL A 405 -9.437 -0.533 15.393 1.00 0.00 H new ATOM 0 HG22 VAL A 405 -9.166 -1.704 16.706 1.00 0.00 H new ATOM 0 HG23 VAL A 405 -7.969 -0.425 16.393 1.00 0.00 H new ATOM 104 N ASP A 406 -4.535 -2.271 15.505 1.00 0.00 N ATOM 105 CA ASP A 406 -3.332 -1.486 15.753 1.00 0.00 C ATOM 106 C ASP A 406 -3.148 -0.419 14.677 1.00 0.00 C ATOM 107 O ASP A 406 -2.102 -0.348 14.030 1.00 0.00 O ATOM 108 CB ASP A 406 -2.104 -2.397 15.806 1.00 0.00 C ATOM 109 CG ASP A 406 -1.835 -2.925 17.202 1.00 0.00 C ATOM 110 OD1 ASP A 406 -1.485 -2.115 18.085 1.00 0.00 O ATOM 111 OD2 ASP A 406 -1.973 -4.148 17.410 1.00 0.00 O ATOM 0 H ASP A 406 -4.394 -3.078 14.897 1.00 0.00 H new ATOM 0 HA ASP A 406 -3.444 -0.988 16.716 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -2.248 -3.236 15.125 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -1.231 -1.847 15.454 1.00 0.00 H new ATOM 116 N LEU A 407 -4.171 0.407 14.488 1.00 0.00 N ATOM 117 CA LEU A 407 -4.123 1.468 13.489 1.00 0.00 C ATOM 118 C LEU A 407 -3.780 2.808 14.134 1.00 0.00 C ATOM 119 O LEU A 407 -4.340 3.844 13.774 1.00 0.00 O ATOM 120 CB LEU A 407 -5.462 1.567 12.754 1.00 0.00 C ATOM 121 CG LEU A 407 -5.357 1.808 11.247 1.00 0.00 C ATOM 122 CD1 LEU A 407 -4.759 3.178 10.967 1.00 0.00 C ATOM 123 CD2 LEU A 407 -4.526 0.717 10.590 1.00 0.00 C ATOM 0 H LEU A 407 -5.044 0.362 15.014 1.00 0.00 H new ATOM 0 HA LEU A 407 -3.341 1.222 12.771 1.00 0.00 H new ATOM 0 HB2 LEU A 407 -6.020 0.646 12.921 1.00 0.00 H new ATOM 0 HB3 LEU A 407 -6.043 2.376 13.196 1.00 0.00 H new ATOM 0 HG LEU A 407 -6.360 1.778 10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -4.692 3.332 9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -5.394 3.948 11.405 1.00 0.00 H new ATOM 0 HD13 LEU A 407 -3.763 3.236 11.405 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -4.462 0.904 9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -3.524 0.715 11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -4.996 -0.251 10.762 1.00 0.00 H new ATOM 135 N LEU A 408 -2.857 2.779 15.090 1.00 0.00 N ATOM 136 CA LEU A 408 -2.440 3.991 15.786 1.00 0.00 C ATOM 137 C LEU A 408 -1.751 4.958 14.827 1.00 0.00 C ATOM 138 O LEU A 408 -0.750 4.615 14.197 1.00 0.00 O ATOM 139 CB LEU A 408 -1.501 3.641 16.944 1.00 0.00 C ATOM 140 CG LEU A 408 -2.135 3.711 18.334 1.00 0.00 C ATOM 141 CD1 LEU A 408 -3.022 2.500 18.579 1.00 0.00 C ATOM 142 CD2 LEU A 408 -1.059 3.813 19.405 1.00 0.00 C ATOM 0 H LEU A 408 -2.384 1.930 15.400 1.00 0.00 H new ATOM 0 HA LEU A 408 -3.330 4.478 16.185 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -1.115 2.634 16.787 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -0.647 4.317 16.916 1.00 0.00 H new ATOM 0 HG LEU A 408 -2.756 4.605 18.385 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -3.464 2.568 19.573 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -3.814 2.472 17.831 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -2.424 1.591 18.509 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -1.528 3.862 20.388 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -0.412 2.938 19.355 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -0.466 4.713 19.241 1.00 0.00 H new ATOM 154 N ASP A 409 -2.294 6.165 14.722 1.00 0.00 N ATOM 155 CA ASP A 409 -1.731 7.182 13.840 1.00 0.00 C ATOM 156 C ASP A 409 -0.295 7.509 14.231 1.00 0.00 C ATOM 157 O ASP A 409 -0.032 7.963 15.345 1.00 0.00 O ATOM 158 CB ASP A 409 -2.586 8.451 13.881 1.00 0.00 C ATOM 159 CG ASP A 409 -2.154 9.472 12.847 1.00 0.00 C ATOM 160 OD1 ASP A 409 -2.030 9.099 11.662 1.00 0.00 O ATOM 161 OD2 ASP A 409 -1.940 10.644 13.223 1.00 0.00 O ATOM 0 H ASP A 409 -3.123 6.464 15.236 1.00 0.00 H new ATOM 0 HA ASP A 409 -1.729 6.786 12.825 1.00 0.00 H new ATOM 0 HB2 ASP A 409 -3.630 8.188 13.714 1.00 0.00 H new ATOM 0 HB3 ASP A 409 -2.525 8.895 14.874 1.00 0.00 H new ATOM 166 N ASP A 410 0.633 7.274 13.309 1.00 0.00 N ATOM 167 CA ASP A 410 2.045 7.544 13.557 1.00 0.00 C ATOM 168 C ASP A 410 2.706 8.154 12.326 1.00 0.00 C ATOM 169 O ASP A 410 3.894 7.944 12.078 1.00 0.00 O ATOM 170 CB ASP A 410 2.770 6.256 13.955 1.00 0.00 C ATOM 171 CG ASP A 410 3.810 6.489 15.032 1.00 0.00 C ATOM 172 OD1 ASP A 410 3.447 6.455 16.226 1.00 0.00 O ATOM 173 OD2 ASP A 410 4.988 6.707 14.680 1.00 0.00 O ATOM 0 H ASP A 410 0.433 6.897 12.383 1.00 0.00 H new ATOM 0 HA ASP A 410 2.114 8.259 14.376 1.00 0.00 H new ATOM 0 HB2 ASP A 410 2.041 5.526 14.309 1.00 0.00 H new ATOM 0 HB3 ASP A 410 3.251 5.826 13.076 1.00 0.00 H new ATOM 178 N GLY A 411 1.928 8.910 11.556 1.00 0.00 N ATOM 179 CA GLY A 411 2.455 9.540 10.361 1.00 0.00 C ATOM 180 C GLY A 411 1.400 10.321 9.603 1.00 0.00 C ATOM 181 O GLY A 411 1.431 11.550 9.572 1.00 0.00 O ATOM 0 H GLY A 411 0.942 9.097 11.740 1.00 0.00 H new ATOM 0 HA2 GLY A 411 3.270 10.209 10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 411 2.877 8.776 9.707 1.00 0.00 H new ATOM 185 N TYR A 412 0.462 9.605 8.993 1.00 0.00 N ATOM 186 CA TYR A 412 -0.611 10.238 8.233 1.00 0.00 C ATOM 187 C TYR A 412 -1.973 9.723 8.685 1.00 0.00 C ATOM 188 O TYR A 412 -2.088 8.614 9.208 1.00 0.00 O ATOM 189 CB TYR A 412 -0.424 9.980 6.737 1.00 0.00 C ATOM 190 CG TYR A 412 0.953 10.338 6.226 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.307 11.661 5.996 1.00 0.00 C ATOM 192 CD2 TYR A 412 1.901 9.353 5.976 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.565 11.993 5.530 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.161 9.676 5.511 1.00 0.00 C ATOM 195 CZ TYR A 412 3.488 10.997 5.289 1.00 0.00 C ATOM 196 OH TYR A 412 4.741 11.323 4.826 1.00 0.00 O ATOM 0 H TYR A 412 0.422 8.586 9.010 1.00 0.00 H new ATOM 0 HA TYR A 412 -0.570 11.312 8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 412 -0.615 8.927 6.532 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -1.168 10.553 6.183 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.587 12.444 6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 412 1.648 8.317 6.148 1.00 0.00 H new ATOM 0 HE1 TYR A 412 2.824 13.027 5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 412 3.886 8.898 5.322 1.00 0.00 H new ATOM 0 HH TYR A 412 5.269 10.506 4.709 1.00 0.00 H new ATOM 206 N ARG A 413 -3.005 10.535 8.481 1.00 0.00 N ATOM 207 CA ARG A 413 -4.361 10.162 8.869 1.00 0.00 C ATOM 208 C ARG A 413 -4.999 9.255 7.821 1.00 0.00 C ATOM 209 O ARG A 413 -5.534 9.729 6.819 1.00 0.00 O ATOM 210 CB ARG A 413 -5.218 11.413 9.069 1.00 0.00 C ATOM 211 CG ARG A 413 -6.206 11.298 10.219 1.00 0.00 C ATOM 212 CD ARG A 413 -7.185 12.460 10.232 1.00 0.00 C ATOM 213 NE ARG A 413 -8.056 12.430 11.405 1.00 0.00 N ATOM 214 CZ ARG A 413 -7.682 12.836 12.616 1.00 0.00 C ATOM 215 NH1 ARG A 413 -6.457 13.305 12.819 1.00 0.00 N ATOM 216 NH2 ARG A 413 -8.536 12.775 13.628 1.00 0.00 N ATOM 0 H ARG A 413 -2.928 11.456 8.049 1.00 0.00 H new ATOM 0 HA ARG A 413 -4.305 9.614 9.809 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -4.564 12.266 9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -5.766 11.618 8.149 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -6.755 10.360 10.136 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -5.664 11.267 11.164 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -6.633 13.399 10.215 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -7.793 12.431 9.328 1.00 0.00 H new ATOM 0 HE ARG A 413 -9.006 12.077 11.289 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -5.796 13.356 12.044 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -6.177 13.614 13.750 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -9.479 12.417 13.478 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -8.250 13.086 14.556 1.00 0.00 H new ATOM 230 N TRP A 414 -4.941 7.949 8.062 1.00 0.00 N ATOM 231 CA TRP A 414 -5.515 6.975 7.140 1.00 0.00 C ATOM 232 C TRP A 414 -6.895 6.529 7.613 1.00 0.00 C ATOM 233 O TRP A 414 -7.227 6.651 8.791 1.00 0.00 O ATOM 234 CB TRP A 414 -4.593 5.763 7.003 1.00 0.00 C ATOM 235 CG TRP A 414 -3.190 6.121 6.615 1.00 0.00 C ATOM 236 CD1 TRP A 414 -2.134 6.329 7.456 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.691 6.318 5.287 1.00 0.00 C ATOM 238 NE1 TRP A 414 -1.009 6.640 6.731 1.00 0.00 N ATOM 239 CE2 TRP A 414 -1.325 6.641 5.397 1.00 0.00 C ATOM 240 CE3 TRP A 414 -3.265 6.250 4.015 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.527 6.895 4.285 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.474 6.503 2.911 1.00 0.00 C ATOM 243 CH2 TRP A 414 -1.116 6.822 3.052 1.00 0.00 C ATOM 0 H TRP A 414 -4.503 7.541 8.888 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.620 7.452 6.166 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -4.573 5.222 7.949 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -5.006 5.084 6.257 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -2.177 6.259 8.533 1.00 0.00 H new ATOM 0 HE1 TRP A 414 -0.088 6.838 7.122 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -4.310 6.004 3.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.519 7.141 4.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.909 6.454 1.924 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.523 7.014 2.170 1.00 0.00 H new ATOM 254 N ARG A 415 -7.692 6.008 6.686 1.00 0.00 N ATOM 255 CA ARG A 415 -9.037 5.542 7.008 1.00 0.00 C ATOM 256 C ARG A 415 -9.381 4.285 6.217 1.00 0.00 C ATOM 257 O ARG A 415 -8.873 4.074 5.116 1.00 0.00 O ATOM 258 CB ARG A 415 -10.062 6.642 6.719 1.00 0.00 C ATOM 259 CG ARG A 415 -11.162 6.740 7.765 1.00 0.00 C ATOM 260 CD ARG A 415 -10.592 6.938 9.161 1.00 0.00 C ATOM 261 NE ARG A 415 -11.079 8.170 9.782 1.00 0.00 N ATOM 262 CZ ARG A 415 -10.550 9.372 9.562 1.00 0.00 C ATOM 263 NH1 ARG A 415 -9.523 9.513 8.733 1.00 0.00 N ATOM 264 NH2 ARG A 415 -11.053 10.437 10.171 1.00 0.00 N ATOM 0 H ARG A 415 -7.431 5.898 5.706 1.00 0.00 H new ATOM 0 HA ARG A 415 -9.067 5.298 8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -9.546 7.600 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -10.514 6.458 5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -11.824 7.571 7.521 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -11.767 5.833 7.744 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -10.860 6.086 9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -9.504 6.964 9.108 1.00 0.00 H new ATOM 0 HE ARG A 415 -11.871 8.104 10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -9.134 8.698 8.260 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -9.123 10.437 8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -11.844 10.335 10.807 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -10.649 11.358 10.004 1.00 0.00 H new ATOM 278 N LYS A 416 -10.247 3.452 6.785 1.00 0.00 N ATOM 279 CA LYS A 416 -10.659 2.215 6.134 1.00 0.00 C ATOM 280 C LYS A 416 -11.947 2.419 5.342 1.00 0.00 C ATOM 281 O LYS A 416 -12.915 2.988 5.847 1.00 0.00 O ATOM 282 CB LYS A 416 -10.855 1.109 7.171 1.00 0.00 C ATOM 283 CG LYS A 416 -10.443 -0.270 6.677 1.00 0.00 C ATOM 284 CD LYS A 416 -9.926 -1.137 7.814 1.00 0.00 C ATOM 285 CE LYS A 416 -8.901 -2.145 7.322 1.00 0.00 C ATOM 286 NZ LYS A 416 -9.507 -3.484 7.087 1.00 0.00 N ATOM 0 H LYS A 416 -10.677 3.612 7.696 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.871 1.919 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -10.279 1.353 8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -11.904 1.081 7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -11.295 -0.758 6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -9.670 -0.169 5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -9.478 -0.505 8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -10.759 -1.662 8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -8.451 -1.783 6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -8.098 -2.233 8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -8.921 -4.017 6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -9.559 -4.004 7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -10.465 -3.368 6.698 1.00 0.00 H new ATOM 300 N TYR A 417 -11.951 1.951 4.098 1.00 0.00 N ATOM 301 CA TYR A 417 -13.120 2.081 3.236 1.00 0.00 C ATOM 302 C TYR A 417 -13.534 0.726 2.671 1.00 0.00 C ATOM 303 O TYR A 417 -14.715 0.381 2.660 1.00 0.00 O ATOM 304 CB TYR A 417 -12.831 3.056 2.093 1.00 0.00 C ATOM 305 CG TYR A 417 -11.737 2.590 1.159 1.00 0.00 C ATOM 306 CD1 TYR A 417 -10.399 2.710 1.512 1.00 0.00 C ATOM 307 CD2 TYR A 417 -12.043 2.031 -0.075 1.00 0.00 C ATOM 308 CE1 TYR A 417 -9.395 2.284 0.661 1.00 0.00 C ATOM 309 CE2 TYR A 417 -11.045 1.601 -0.931 1.00 0.00 C ATOM 310 CZ TYR A 417 -9.724 1.731 -0.558 1.00 0.00 C ATOM 311 OH TYR A 417 -8.728 1.306 -1.408 1.00 0.00 O ATOM 0 H TYR A 417 -11.158 1.478 3.664 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.942 2.470 3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.745 3.211 1.519 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.551 4.022 2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -10.138 3.143 2.466 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -13.077 1.930 -0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -8.359 2.384 0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -11.299 1.166 -1.886 1.00 0.00 H new ATOM 0 HH TYR A 417 -9.128 0.940 -2.224 1.00 0.00 H new ATOM 321 N GLY A 418 -12.552 -0.039 2.202 1.00 0.00 N ATOM 322 CA GLY A 418 -12.834 -1.348 1.642 1.00 0.00 C ATOM 323 C GLY A 418 -11.910 -2.422 2.182 1.00 0.00 C ATOM 324 O GLY A 418 -10.796 -2.130 2.618 1.00 0.00 O ATOM 0 H GLY A 418 -11.567 0.225 2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -13.867 -1.618 1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -12.739 -1.304 0.557 1.00 0.00 H new ATOM 328 N GLN A 419 -12.372 -3.667 2.151 1.00 0.00 N ATOM 329 CA GLN A 419 -11.579 -4.789 2.641 1.00 0.00 C ATOM 330 C GLN A 419 -12.174 -6.118 2.184 1.00 0.00 C ATOM 331 O GLN A 419 -13.349 -6.397 2.424 1.00 0.00 O ATOM 332 CB GLN A 419 -11.495 -4.753 4.169 1.00 0.00 C ATOM 333 CG GLN A 419 -12.849 -4.852 4.853 1.00 0.00 C ATOM 334 CD GLN A 419 -12.985 -6.101 5.704 1.00 0.00 C ATOM 335 OE1 GLN A 419 -13.885 -6.914 5.495 1.00 0.00 O ATOM 336 NE2 GLN A 419 -12.086 -6.258 6.670 1.00 0.00 N ATOM 0 H GLN A 419 -13.291 -3.925 1.792 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.575 -4.700 2.226 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -10.864 -5.574 4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -11.008 -3.828 4.477 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -13.001 -3.973 5.479 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -13.635 -4.845 4.097 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -11.357 -5.558 6.807 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -12.125 -7.079 7.275 1.00 0.00 H new ATOM 345 N LYS A 420 -11.355 -6.932 1.525 1.00 0.00 N ATOM 346 CA LYS A 420 -11.801 -8.231 1.035 1.00 0.00 C ATOM 347 C LYS A 420 -10.989 -9.359 1.664 1.00 0.00 C ATOM 348 O LYS A 420 -10.074 -9.113 2.452 1.00 0.00 O ATOM 349 CB LYS A 420 -11.683 -8.292 -0.489 1.00 0.00 C ATOM 350 CG LYS A 420 -10.328 -7.845 -1.013 1.00 0.00 C ATOM 351 CD LYS A 420 -9.714 -8.883 -1.939 1.00 0.00 C ATOM 352 CE LYS A 420 -9.937 -8.527 -3.401 1.00 0.00 C ATOM 353 NZ LYS A 420 -8.777 -8.916 -4.251 1.00 0.00 N ATOM 0 H LYS A 420 -10.380 -6.715 1.318 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.846 -8.358 1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -11.872 -9.314 -0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -12.458 -7.666 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -10.437 -6.901 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -9.656 -7.662 -0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -8.645 -8.961 -1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -10.149 -9.861 -1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -10.836 -9.026 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -10.110 -7.455 -3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -8.969 -8.656 -5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -7.924 -8.420 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -8.628 -9.943 -4.186 1.00 0.00 H new ATOM 367 N VAL A 421 -11.329 -10.594 1.312 1.00 0.00 N ATOM 368 CA VAL A 421 -10.630 -11.760 1.840 1.00 0.00 C ATOM 369 C VAL A 421 -10.070 -12.623 0.713 1.00 0.00 C ATOM 370 O VAL A 421 -10.741 -12.859 -0.292 1.00 0.00 O ATOM 371 CB VAL A 421 -11.557 -12.617 2.725 1.00 0.00 C ATOM 372 CG1 VAL A 421 -12.734 -13.144 1.918 1.00 0.00 C ATOM 373 CG2 VAL A 421 -10.783 -13.762 3.361 1.00 0.00 C ATOM 0 H VAL A 421 -12.085 -10.814 0.663 1.00 0.00 H new ATOM 0 HA VAL A 421 -9.806 -11.388 2.448 1.00 0.00 H new ATOM 0 HB VAL A 421 -11.948 -11.986 3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.376 -13.746 2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.305 -12.306 1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.366 -13.758 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -11.455 -14.355 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -10.359 -14.393 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -9.980 -13.360 3.978 1.00 0.00 H new ATOM 383 N VAL A 422 -8.839 -13.089 0.887 1.00 0.00 N ATOM 384 CA VAL A 422 -8.189 -13.925 -0.114 1.00 0.00 C ATOM 385 C VAL A 422 -8.488 -15.402 0.123 1.00 0.00 C ATOM 386 O VAL A 422 -8.787 -15.813 1.245 1.00 0.00 O ATOM 387 CB VAL A 422 -6.663 -13.716 -0.115 1.00 0.00 C ATOM 388 CG1 VAL A 422 -6.024 -14.441 -1.290 1.00 0.00 C ATOM 389 CG2 VAL A 422 -6.327 -12.233 -0.147 1.00 0.00 C ATOM 0 H VAL A 422 -8.271 -12.902 1.713 1.00 0.00 H new ATOM 0 HA VAL A 422 -8.590 -13.627 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.257 -14.137 0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -4.946 -14.281 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -6.234 -15.508 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -6.434 -14.054 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -5.245 -12.105 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -6.746 -11.784 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -6.750 -11.745 0.731 1.00 0.00 H new ATOM 399 N LYS A 423 -8.404 -16.195 -0.941 1.00 0.00 N ATOM 400 CA LYS A 423 -8.666 -17.627 -0.848 1.00 0.00 C ATOM 401 C LYS A 423 -7.363 -18.411 -0.729 1.00 0.00 C ATOM 402 O LYS A 423 -6.779 -18.819 -1.733 1.00 0.00 O ATOM 403 CB LYS A 423 -9.453 -18.103 -2.071 1.00 0.00 C ATOM 404 CG LYS A 423 -10.957 -18.130 -1.853 1.00 0.00 C ATOM 405 CD LYS A 423 -11.346 -19.137 -0.783 1.00 0.00 C ATOM 406 CE LYS A 423 -12.705 -19.757 -1.069 1.00 0.00 C ATOM 407 NZ LYS A 423 -13.819 -18.817 -0.772 1.00 0.00 N ATOM 0 H LYS A 423 -8.157 -15.871 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 423 -9.259 -17.806 0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -9.228 -17.450 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -9.116 -19.103 -2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -11.302 -17.137 -1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -11.457 -18.380 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -10.591 -19.921 -0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -11.366 -18.646 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -12.753 -20.058 -2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -12.824 -20.661 -0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -14.727 -19.278 -0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -13.789 -18.549 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -13.720 -17.965 -1.360 1.00 0.00 H new ATOM 421 N GLY A 424 -6.913 -18.619 0.503 1.00 0.00 N ATOM 422 CA GLY A 424 -5.683 -19.354 0.731 1.00 0.00 C ATOM 423 C GLY A 424 -4.729 -18.616 1.650 1.00 0.00 C ATOM 424 O GLY A 424 -3.974 -19.235 2.399 1.00 0.00 O ATOM 0 H GLY A 424 -7.379 -18.291 1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -5.919 -20.327 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -5.192 -19.540 -0.224 1.00 0.00 H new ATOM 428 N ASN A 425 -4.763 -17.288 1.592 1.00 0.00 N ATOM 429 CA ASN A 425 -3.896 -16.464 2.425 1.00 0.00 C ATOM 430 C ASN A 425 -4.563 -16.156 3.766 1.00 0.00 C ATOM 431 O ASN A 425 -5.556 -15.429 3.818 1.00 0.00 O ATOM 432 CB ASN A 425 -3.554 -15.159 1.703 1.00 0.00 C ATOM 433 CG ASN A 425 -2.410 -15.326 0.720 1.00 0.00 C ATOM 434 OD1 ASN A 425 -1.390 -14.646 0.818 1.00 0.00 O ATOM 435 ND2 ASN A 425 -2.577 -16.235 -0.234 1.00 0.00 N ATOM 0 H ASN A 425 -5.382 -16.760 0.977 1.00 0.00 H new ATOM 0 HA ASN A 425 -2.978 -17.020 2.614 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -4.435 -14.798 1.173 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.290 -14.398 2.438 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -1.842 -16.392 -0.924 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.440 -16.777 -0.277 1.00 0.00 H new ATOM 442 N PRO A 426 -4.028 -16.703 4.874 1.00 0.00 N ATOM 443 CA PRO A 426 -4.585 -16.477 6.212 1.00 0.00 C ATOM 444 C PRO A 426 -4.795 -14.996 6.511 1.00 0.00 C ATOM 445 O PRO A 426 -5.811 -14.607 7.085 1.00 0.00 O ATOM 446 CB PRO A 426 -3.524 -17.065 7.142 1.00 0.00 C ATOM 447 CG PRO A 426 -2.835 -18.101 6.323 1.00 0.00 C ATOM 448 CD PRO A 426 -2.844 -17.585 4.911 1.00 0.00 C ATOM 0 HA PRO A 426 -5.569 -16.931 6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -2.826 -16.299 7.481 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -3.976 -17.501 8.033 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -1.815 -18.261 6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -3.350 -19.059 6.392 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -1.930 -17.040 4.677 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -2.925 -18.396 4.188 1.00 0.00 H new ATOM 456 N TYR A 427 -3.826 -14.176 6.118 1.00 0.00 N ATOM 457 CA TYR A 427 -3.904 -12.737 6.343 1.00 0.00 C ATOM 458 C TYR A 427 -4.888 -12.085 5.372 1.00 0.00 C ATOM 459 O TYR A 427 -4.645 -12.050 4.165 1.00 0.00 O ATOM 460 CB TYR A 427 -2.521 -12.101 6.187 1.00 0.00 C ATOM 461 CG TYR A 427 -1.508 -12.601 7.192 1.00 0.00 C ATOM 462 CD1 TYR A 427 -1.456 -12.074 8.475 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.601 -13.599 6.855 1.00 0.00 C ATOM 464 CE1 TYR A 427 -0.530 -12.529 9.397 1.00 0.00 C ATOM 465 CE2 TYR A 427 0.326 -14.058 7.770 1.00 0.00 C ATOM 466 CZ TYR A 427 0.358 -13.521 9.040 1.00 0.00 C ATOM 467 OH TYR A 427 1.280 -13.975 9.953 1.00 0.00 O ATOM 0 H TYR A 427 -2.978 -14.483 5.642 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.261 -12.572 7.359 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.151 -12.299 5.181 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -2.614 -11.019 6.285 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -2.150 -11.296 8.758 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.622 -14.022 5.862 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -0.503 -12.109 10.392 1.00 0.00 H new ATOM 0 HE2 TYR A 427 1.023 -14.835 7.492 1.00 0.00 H new ATOM 0 HH TYR A 427 1.251 -14.954 9.988 1.00 0.00 H new ATOM 477 N PRO A 428 -6.017 -11.557 5.882 1.00 0.00 N ATOM 478 CA PRO A 428 -7.031 -10.907 5.043 1.00 0.00 C ATOM 479 C PRO A 428 -6.451 -9.768 4.212 1.00 0.00 C ATOM 480 O PRO A 428 -5.233 -9.616 4.113 1.00 0.00 O ATOM 481 CB PRO A 428 -8.045 -10.365 6.055 1.00 0.00 C ATOM 482 CG PRO A 428 -7.855 -11.200 7.273 1.00 0.00 C ATOM 483 CD PRO A 428 -6.394 -11.550 7.307 1.00 0.00 C ATOM 0 HA PRO A 428 -7.462 -11.600 4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -7.867 -9.311 6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.064 -10.446 5.676 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -8.147 -10.654 8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.471 -12.098 7.231 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -5.817 -10.818 7.873 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -6.223 -12.520 7.774 1.00 0.00 H new ATOM 491 N ARG A 429 -7.330 -8.969 3.617 1.00 0.00 N ATOM 492 CA ARG A 429 -6.905 -7.841 2.794 1.00 0.00 C ATOM 493 C ARG A 429 -7.505 -6.537 3.308 1.00 0.00 C ATOM 494 O ARG A 429 -8.702 -6.458 3.582 1.00 0.00 O ATOM 495 CB ARG A 429 -7.313 -8.065 1.336 1.00 0.00 C ATOM 496 CG ARG A 429 -6.665 -9.288 0.705 1.00 0.00 C ATOM 497 CD ARG A 429 -5.973 -8.943 -0.603 1.00 0.00 C ATOM 498 NE ARG A 429 -4.827 -9.813 -0.861 1.00 0.00 N ATOM 499 CZ ARG A 429 -4.263 -9.959 -2.058 1.00 0.00 C ATOM 500 NH1 ARG A 429 -4.735 -9.297 -3.108 1.00 0.00 N ATOM 501 NH2 ARG A 429 -3.225 -10.770 -2.206 1.00 0.00 N ATOM 0 H ARG A 429 -8.341 -9.081 3.689 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.819 -7.768 2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -8.397 -8.170 1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -7.049 -7.182 0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -5.941 -9.715 1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -7.423 -10.050 0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.685 -9.028 -1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -5.641 -7.905 -0.575 1.00 0.00 H new ATOM 0 HE ARG A 429 -4.437 -10.339 -0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -5.534 -8.672 -3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -4.298 -9.413 -4.022 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -2.859 -11.282 -1.403 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -2.792 -10.882 -3.123 1.00 0.00 H new ATOM 515 N SER A 430 -6.664 -5.514 3.433 1.00 0.00 N ATOM 516 CA SER A 430 -7.112 -4.212 3.914 1.00 0.00 C ATOM 517 C SER A 430 -6.760 -3.114 2.914 1.00 0.00 C ATOM 518 O SER A 430 -5.780 -3.222 2.178 1.00 0.00 O ATOM 519 CB SER A 430 -6.482 -3.902 5.273 1.00 0.00 C ATOM 520 OG SER A 430 -6.505 -5.039 6.118 1.00 0.00 O ATOM 0 H SER A 430 -5.670 -5.562 3.208 1.00 0.00 H new ATOM 0 HA SER A 430 -8.196 -4.246 4.024 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.453 -3.570 5.133 1.00 0.00 H new ATOM 0 HB3 SER A 430 -7.020 -3.081 5.748 1.00 0.00 H new ATOM 0 HG SER A 430 -6.095 -4.815 6.979 1.00 0.00 H new ATOM 526 N TYR A 431 -7.567 -2.058 2.895 1.00 0.00 N ATOM 527 CA TYR A 431 -7.340 -0.941 1.986 1.00 0.00 C ATOM 528 C TYR A 431 -7.610 0.391 2.679 1.00 0.00 C ATOM 529 O TYR A 431 -8.760 0.782 2.870 1.00 0.00 O ATOM 530 CB TYR A 431 -8.230 -1.073 0.749 1.00 0.00 C ATOM 531 CG TYR A 431 -8.093 -2.404 0.042 1.00 0.00 C ATOM 532 CD1 TYR A 431 -7.037 -2.644 -0.826 1.00 0.00 C ATOM 533 CD2 TYR A 431 -9.020 -3.418 0.245 1.00 0.00 C ATOM 534 CE1 TYR A 431 -6.908 -3.859 -1.474 1.00 0.00 C ATOM 535 CE2 TYR A 431 -8.899 -4.635 -0.398 1.00 0.00 C ATOM 536 CZ TYR A 431 -7.842 -4.850 -1.256 1.00 0.00 C ATOM 537 OH TYR A 431 -7.716 -6.060 -1.899 1.00 0.00 O ATOM 0 H TYR A 431 -8.383 -1.953 3.498 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.295 -0.965 1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.270 -0.933 1.044 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -7.987 -0.273 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -6.304 -1.870 -0.998 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -9.849 -3.253 0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -6.081 -4.031 -2.147 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -9.628 -5.413 -0.229 1.00 0.00 H new ATOM 0 HH TYR A 431 -7.792 -6.787 -1.246 1.00 0.00 H new ATOM 547 N TYR A 432 -6.538 1.085 3.054 1.00 0.00 N ATOM 548 CA TYR A 432 -6.658 2.373 3.726 1.00 0.00 C ATOM 549 C TYR A 432 -6.530 3.518 2.727 1.00 0.00 C ATOM 550 O TYR A 432 -6.365 3.291 1.528 1.00 0.00 O ATOM 551 CB TYR A 432 -5.591 2.508 4.813 1.00 0.00 C ATOM 552 CG TYR A 432 -5.611 1.385 5.825 1.00 0.00 C ATOM 553 CD1 TYR A 432 -6.539 1.374 6.859 1.00 0.00 C ATOM 554 CD2 TYR A 432 -4.704 0.336 5.746 1.00 0.00 C ATOM 555 CE1 TYR A 432 -6.560 0.350 7.786 1.00 0.00 C ATOM 556 CE2 TYR A 432 -4.720 -0.692 6.669 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.650 -0.680 7.688 1.00 0.00 C ATOM 558 OH TYR A 432 -5.668 -1.702 8.608 1.00 0.00 O ATOM 0 H TYR A 432 -5.578 0.776 2.903 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.644 2.424 4.188 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.608 2.545 4.343 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.731 3.456 5.332 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -7.255 2.179 6.939 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -3.974 0.324 4.950 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -7.287 0.357 8.585 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -4.008 -1.501 6.593 1.00 0.00 H new ATOM 0 HH TYR A 432 -4.962 -2.347 8.394 1.00 0.00 H new ATOM 568 N LYS A 433 -6.609 4.749 3.225 1.00 0.00 N ATOM 569 CA LYS A 433 -6.502 5.924 2.369 1.00 0.00 C ATOM 570 C LYS A 433 -6.378 7.198 3.198 1.00 0.00 C ATOM 571 O LYS A 433 -7.239 7.501 4.024 1.00 0.00 O ATOM 572 CB LYS A 433 -7.719 6.020 1.447 1.00 0.00 C ATOM 573 CG LYS A 433 -9.047 5.985 2.187 1.00 0.00 C ATOM 574 CD LYS A 433 -10.020 7.021 1.644 1.00 0.00 C ATOM 575 CE LYS A 433 -11.367 6.402 1.307 1.00 0.00 C ATOM 576 NZ LYS A 433 -12.258 7.359 0.595 1.00 0.00 N ATOM 0 H LYS A 433 -6.746 4.957 4.214 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.601 5.819 1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.657 6.944 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.689 5.197 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.487 4.991 2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.877 6.166 3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -10.157 7.813 2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -9.599 7.484 0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -11.215 5.518 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -11.852 6.068 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -13.166 6.897 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -12.425 8.191 1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -11.807 7.658 -0.293 1.00 0.00 H new ATOM 590 N CYS A 434 -5.301 7.945 2.967 1.00 0.00 N ATOM 591 CA CYS A 434 -5.066 9.191 3.688 1.00 0.00 C ATOM 592 C CYS A 434 -6.139 10.220 3.346 1.00 0.00 C ATOM 593 O CYS A 434 -6.097 10.847 2.287 1.00 0.00 O ATOM 594 CB CYS A 434 -3.679 9.746 3.351 1.00 0.00 C ATOM 595 SG CYS A 434 -3.290 11.312 4.166 1.00 0.00 S ATOM 0 H CYS A 434 -4.579 7.709 2.287 1.00 0.00 H new ATOM 0 HA CYS A 434 -5.113 8.983 4.757 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.927 9.008 3.629 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.607 9.883 2.272 1.00 0.00 H new ATOM 600 N THR A 435 -7.100 10.386 4.249 1.00 0.00 N ATOM 601 CA THR A 435 -8.187 11.337 4.046 1.00 0.00 C ATOM 602 C THR A 435 -7.920 12.648 4.778 1.00 0.00 C ATOM 603 O THR A 435 -8.447 12.883 5.866 1.00 0.00 O ATOM 604 CB THR A 435 -9.535 10.761 4.523 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.522 11.797 4.568 1.00 0.00 O ATOM 606 CG2 THR A 435 -9.397 10.126 5.900 1.00 0.00 C ATOM 0 H THR A 435 -7.148 9.874 5.130 1.00 0.00 H new ATOM 0 HA THR A 435 -8.240 11.529 2.974 1.00 0.00 H new ATOM 0 HB THR A 435 -9.846 9.993 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 435 -10.333 12.397 5.320 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.361 9.727 6.215 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.667 9.318 5.857 1.00 0.00 H new ATOM 0 HG23 THR A 435 -9.064 10.878 6.616 1.00 0.00 H new ATOM 614 N THR A 436 -7.101 13.499 4.172 1.00 0.00 N ATOM 615 CA THR A 436 -6.764 14.789 4.761 1.00 0.00 C ATOM 616 C THR A 436 -7.592 15.909 4.129 1.00 0.00 C ATOM 617 O THR A 436 -8.191 15.722 3.070 1.00 0.00 O ATOM 618 CB THR A 436 -5.263 15.102 4.597 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.584 13.965 4.050 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.632 15.473 5.931 1.00 0.00 C ATOM 0 H THR A 436 -6.657 13.319 3.271 1.00 0.00 H new ATOM 0 HA THR A 436 -6.995 14.731 5.825 1.00 0.00 H new ATOM 0 HB THR A 436 -5.167 15.950 3.919 1.00 0.00 H new ATOM 0 HG1 THR A 436 -4.380 13.329 4.768 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.574 15.689 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 436 -5.129 16.354 6.336 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.740 14.642 6.628 1.00 0.00 H new ATOM 628 N PRO A 437 -7.641 17.089 4.772 1.00 0.00 N ATOM 629 CA PRO A 437 -8.406 18.233 4.263 1.00 0.00 C ATOM 630 C PRO A 437 -8.028 18.596 2.830 1.00 0.00 C ATOM 631 O PRO A 437 -8.860 19.083 2.064 1.00 0.00 O ATOM 632 CB PRO A 437 -8.033 19.369 5.220 1.00 0.00 C ATOM 633 CG PRO A 437 -7.618 18.684 6.474 1.00 0.00 C ATOM 634 CD PRO A 437 -6.962 17.402 6.043 1.00 0.00 C ATOM 0 HA PRO A 437 -9.475 18.022 4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -7.225 19.979 4.815 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.878 20.035 5.393 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -6.928 19.303 7.047 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -8.477 18.487 7.115 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -5.888 17.525 5.906 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -7.101 16.611 6.780 1.00 0.00 H new ATOM 642 N GLY A 438 -6.772 18.353 2.475 1.00 0.00 N ATOM 643 CA GLY A 438 -6.309 18.660 1.134 1.00 0.00 C ATOM 644 C GLY A 438 -5.445 17.557 0.554 1.00 0.00 C ATOM 645 O GLY A 438 -4.453 17.828 -0.124 1.00 0.00 O ATOM 0 H GLY A 438 -6.066 17.949 3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -7.169 18.824 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -5.742 19.590 1.153 1.00 0.00 H new ATOM 649 N CYS A 439 -5.821 16.311 0.822 1.00 0.00 N ATOM 650 CA CYS A 439 -5.073 15.164 0.322 1.00 0.00 C ATOM 651 C CYS A 439 -5.921 13.895 0.381 1.00 0.00 C ATOM 652 O CYS A 439 -6.540 13.595 1.401 1.00 0.00 O ATOM 653 CB CYS A 439 -3.788 14.981 1.137 1.00 0.00 C ATOM 654 SG CYS A 439 -2.860 13.479 0.748 1.00 0.00 S ATOM 0 H CYS A 439 -6.639 16.070 1.382 1.00 0.00 H new ATOM 0 HA CYS A 439 -4.811 15.350 -0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.143 15.844 0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.043 14.971 2.197 1.00 0.00 H new ATOM 659 N GLY A 440 -5.942 13.155 -0.723 1.00 0.00 N ATOM 660 CA GLY A 440 -6.714 11.926 -0.781 1.00 0.00 C ATOM 661 C GLY A 440 -5.915 10.767 -1.346 1.00 0.00 C ATOM 662 O GLY A 440 -6.232 10.249 -2.415 1.00 0.00 O ATOM 0 H GLY A 440 -5.438 13.384 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.061 11.671 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.601 12.086 -1.395 1.00 0.00 H new ATOM 666 N VAL A 441 -4.870 10.362 -0.627 1.00 0.00 N ATOM 667 CA VAL A 441 -4.022 9.260 -1.065 1.00 0.00 C ATOM 668 C VAL A 441 -4.620 7.913 -0.669 1.00 0.00 C ATOM 669 O VAL A 441 -5.191 7.770 0.410 1.00 0.00 O ATOM 670 CB VAL A 441 -2.602 9.375 -0.474 1.00 0.00 C ATOM 671 CG1 VAL A 441 -1.679 8.325 -1.075 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.043 10.775 -0.693 1.00 0.00 C ATOM 0 H VAL A 441 -4.592 10.781 0.260 1.00 0.00 H new ATOM 0 HA VAL A 441 -3.961 9.320 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.664 9.195 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -0.683 8.426 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.070 7.331 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -1.622 8.466 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.041 10.837 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -1.999 10.986 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.689 11.505 -0.205 1.00 0.00 H new ATOM 682 N ARG A 442 -4.482 6.929 -1.551 1.00 0.00 N ATOM 683 CA ARG A 442 -5.007 5.592 -1.294 1.00 0.00 C ATOM 684 C ARG A 442 -3.887 4.557 -1.313 1.00 0.00 C ATOM 685 O ARG A 442 -3.151 4.444 -2.293 1.00 0.00 O ATOM 686 CB ARG A 442 -6.070 5.229 -2.332 1.00 0.00 C ATOM 687 CG ARG A 442 -7.379 5.981 -2.154 1.00 0.00 C ATOM 688 CD ARG A 442 -8.572 5.041 -2.180 1.00 0.00 C ATOM 689 NE ARG A 442 -9.838 5.763 -2.281 1.00 0.00 N ATOM 690 CZ ARG A 442 -10.981 5.206 -2.673 1.00 0.00 C ATOM 691 NH1 ARG A 442 -11.023 3.920 -3.002 1.00 0.00 N ATOM 692 NH2 ARG A 442 -12.088 5.934 -2.736 1.00 0.00 N ATOM 0 H ARG A 442 -4.011 7.032 -2.450 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.463 5.592 -0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.677 5.432 -3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.266 4.158 -2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -7.362 6.523 -1.208 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.483 6.724 -2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.476 4.358 -3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -8.573 4.432 -1.276 1.00 0.00 H new ATOM 0 HE ARG A 442 -9.846 6.753 -2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -10.176 3.354 -2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -11.902 3.499 -3.302 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -12.064 6.922 -2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -12.964 5.506 -3.037 1.00 0.00 H new ATOM 706 N LYS A 443 -3.764 3.802 -0.226 1.00 0.00 N ATOM 707 CA LYS A 443 -2.735 2.775 -0.121 1.00 0.00 C ATOM 708 C LYS A 443 -3.353 1.409 0.164 1.00 0.00 C ATOM 709 O LYS A 443 -4.210 1.275 1.038 1.00 0.00 O ATOM 710 CB LYS A 443 -1.733 3.136 0.980 1.00 0.00 C ATOM 711 CG LYS A 443 -2.332 3.135 2.377 1.00 0.00 C ATOM 712 CD LYS A 443 -1.262 3.323 3.440 1.00 0.00 C ATOM 713 CE LYS A 443 -1.739 2.844 4.802 1.00 0.00 C ATOM 714 NZ LYS A 443 -1.550 1.377 4.973 1.00 0.00 N ATOM 0 H LYS A 443 -4.365 3.883 0.595 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.212 2.723 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -0.903 2.430 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.319 4.123 0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.071 3.932 2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -2.856 2.195 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.364 2.775 3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -0.988 4.376 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -1.195 3.374 5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -2.794 3.091 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -2.340 0.987 5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -1.521 0.920 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -0.656 1.198 5.474 1.00 0.00 H new ATOM 728 N HIS A 444 -2.914 0.400 -0.581 1.00 0.00 N ATOM 729 CA HIS A 444 -3.425 -0.955 -0.410 1.00 0.00 C ATOM 730 C HIS A 444 -2.428 -1.820 0.356 1.00 0.00 C ATOM 731 O HIS A 444 -1.248 -1.877 0.010 1.00 0.00 O ATOM 732 CB HIS A 444 -3.724 -1.585 -1.771 1.00 0.00 C ATOM 733 CG HIS A 444 -4.633 -0.759 -2.627 1.00 0.00 C ATOM 734 ND1 HIS A 444 -5.551 0.180 -2.295 1.00 0.00 N flip ATOM 735 CD2 HIS A 444 -4.663 -0.851 -4.003 1.00 0.00 C flip ATOM 736 CE1 HIS A 444 -6.111 0.632 -3.465 1.00 0.00 C flip ATOM 737 NE2 HIS A 444 -5.557 -0.004 -4.480 1.00 0.00 N flip ATOM 0 H HIS A 444 -2.206 0.495 -1.309 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.348 -0.898 0.167 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.786 -1.746 -2.302 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -4.175 -2.565 -1.617 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -4.051 -1.513 -4.598 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -6.880 1.386 -3.542 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -5.781 0.135 -5.465 1.00 0.00 H new ATOM 746 N VAL A 445 -2.910 -2.490 1.396 1.00 0.00 N ATOM 747 CA VAL A 445 -2.062 -3.352 2.210 1.00 0.00 C ATOM 748 C VAL A 445 -2.283 -4.822 1.868 1.00 0.00 C ATOM 749 O VAL A 445 -3.312 -5.403 2.217 1.00 0.00 O ATOM 750 CB VAL A 445 -2.324 -3.141 3.714 1.00 0.00 C ATOM 751 CG1 VAL A 445 -1.299 -3.896 4.545 1.00 0.00 C ATOM 752 CG2 VAL A 445 -2.312 -1.659 4.054 1.00 0.00 C ATOM 0 H VAL A 445 -3.884 -2.453 1.696 1.00 0.00 H new ATOM 0 HA VAL A 445 -1.030 -3.081 1.988 1.00 0.00 H new ATOM 0 HB VAL A 445 -3.311 -3.536 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -1.500 -3.735 5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.362 -4.961 4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.299 -3.534 4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -2.499 -1.529 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.340 -1.236 3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -3.089 -1.149 3.485 1.00 0.00 H new ATOM 762 N GLU A 446 -1.312 -5.419 1.186 1.00 0.00 N ATOM 763 CA GLU A 446 -1.400 -6.822 0.797 1.00 0.00 C ATOM 764 C GLU A 446 -0.283 -7.635 1.442 1.00 0.00 C ATOM 765 O GLU A 446 0.896 -7.439 1.143 1.00 0.00 O ATOM 766 CB GLU A 446 -1.333 -6.955 -0.726 1.00 0.00 C ATOM 767 CG GLU A 446 -2.696 -6.951 -1.398 1.00 0.00 C ATOM 768 CD GLU A 446 -2.872 -5.792 -2.359 1.00 0.00 C ATOM 769 OE1 GLU A 446 -1.855 -5.309 -2.901 1.00 0.00 O ATOM 770 OE2 GLU A 446 -4.026 -5.364 -2.569 1.00 0.00 O ATOM 0 H GLU A 446 -0.454 -4.953 0.891 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.356 -7.212 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -0.737 -6.136 -1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -0.815 -7.880 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -2.833 -7.888 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -3.473 -6.906 -0.635 1.00 0.00 H new ATOM 777 N ARG A 447 -0.661 -8.552 2.327 1.00 0.00 N ATOM 778 CA ARG A 447 0.309 -9.397 3.013 1.00 0.00 C ATOM 779 C ARG A 447 0.486 -10.724 2.283 1.00 0.00 C ATOM 780 O ARG A 447 -0.362 -11.612 2.372 1.00 0.00 O ATOM 781 CB ARG A 447 -0.133 -9.651 4.455 1.00 0.00 C ATOM 782 CG ARG A 447 0.109 -8.470 5.382 1.00 0.00 C ATOM 783 CD ARG A 447 0.545 -8.925 6.765 1.00 0.00 C ATOM 784 NE ARG A 447 1.566 -8.048 7.335 1.00 0.00 N ATOM 785 CZ ARG A 447 1.899 -8.037 8.624 1.00 0.00 C ATOM 786 NH1 ARG A 447 1.296 -8.852 9.480 1.00 0.00 N ATOM 787 NH2 ARG A 447 2.839 -7.208 9.058 1.00 0.00 N ATOM 0 H ARG A 447 -1.632 -8.729 2.586 1.00 0.00 H new ATOM 0 HA ARG A 447 1.266 -8.876 3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.195 -9.897 4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 447 0.399 -10.521 4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 447 0.873 -7.821 4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -0.803 -7.878 5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -0.320 -8.952 7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 447 0.933 -9.942 6.706 1.00 0.00 H new ATOM 0 HE ARG A 447 2.052 -7.407 6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 447 0.573 -9.492 9.152 1.00 0.00 H new ATOM 0 HH12 ARG A 447 1.556 -8.839 10.466 1.00 0.00 H new ATOM 0 HH21 ARG A 447 3.306 -6.580 8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 447 3.095 -7.199 10.045 1.00 0.00 H new ATOM 801 N ALA A 448 1.594 -10.853 1.560 1.00 0.00 N ATOM 802 CA ALA A 448 1.882 -12.072 0.814 1.00 0.00 C ATOM 803 C ALA A 448 2.098 -13.253 1.754 1.00 0.00 C ATOM 804 O ALA A 448 3.099 -13.315 2.470 1.00 0.00 O ATOM 805 CB ALA A 448 3.102 -11.871 -0.074 1.00 0.00 C ATOM 0 H ALA A 448 2.307 -10.128 1.475 1.00 0.00 H new ATOM 0 HA ALA A 448 1.021 -12.296 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 448 3.306 -12.789 -0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 448 2.911 -11.060 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 448 3.964 -11.620 0.544 1.00 0.00 H new ATOM 811 N ALA A 449 1.154 -14.189 1.744 1.00 0.00 N ATOM 812 CA ALA A 449 1.240 -15.370 2.595 1.00 0.00 C ATOM 813 C ALA A 449 2.059 -16.469 1.926 1.00 0.00 C ATOM 814 O ALA A 449 2.949 -17.056 2.543 1.00 0.00 O ATOM 815 CB ALA A 449 -0.153 -15.878 2.933 1.00 0.00 C ATOM 0 H ALA A 449 0.321 -14.152 1.156 1.00 0.00 H new ATOM 0 HA ALA A 449 1.746 -15.088 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 449 -0.074 -16.760 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.706 -15.100 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.678 -16.139 2.014 1.00 0.00 H new ATOM 821 N THR A 450 1.753 -16.742 0.662 1.00 0.00 N ATOM 822 CA THR A 450 2.463 -17.770 -0.092 1.00 0.00 C ATOM 823 C THR A 450 3.961 -17.492 -0.120 1.00 0.00 C ATOM 824 O THR A 450 4.775 -18.414 -0.160 1.00 0.00 O ATOM 825 CB THR A 450 1.942 -17.866 -1.538 1.00 0.00 C ATOM 826 OG1 THR A 450 2.388 -16.735 -2.296 1.00 0.00 O ATOM 827 CG2 THR A 450 0.423 -17.933 -1.564 1.00 0.00 C ATOM 0 H THR A 450 1.019 -16.266 0.138 1.00 0.00 H new ATOM 0 HA THR A 450 2.281 -18.718 0.415 1.00 0.00 H new ATOM 0 HB THR A 450 2.337 -18.780 -1.982 1.00 0.00 H new ATOM 0 HG1 THR A 450 2.054 -16.805 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 450 0.079 -18.000 -2.596 1.00 0.00 H new ATOM 0 HG22 THR A 450 0.088 -18.811 -1.012 1.00 0.00 H new ATOM 0 HG23 THR A 450 0.011 -17.036 -1.102 1.00 0.00 H new ATOM 835 N ASP A 451 4.319 -16.212 -0.098 1.00 0.00 N ATOM 836 CA ASP A 451 5.719 -15.807 -0.118 1.00 0.00 C ATOM 837 C ASP A 451 6.319 -15.867 1.287 1.00 0.00 C ATOM 838 O ASP A 451 5.593 -15.828 2.279 1.00 0.00 O ATOM 839 CB ASP A 451 5.849 -14.391 -0.685 1.00 0.00 C ATOM 840 CG ASP A 451 6.634 -14.355 -1.982 1.00 0.00 C ATOM 841 OD1 ASP A 451 6.582 -15.351 -2.734 1.00 0.00 O ATOM 842 OD2 ASP A 451 7.299 -13.332 -2.246 1.00 0.00 O ATOM 0 H ASP A 451 3.657 -15.437 -0.066 1.00 0.00 H new ATOM 0 HA ASP A 451 6.268 -16.498 -0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 451 4.855 -13.978 -0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 451 6.338 -13.752 0.050 1.00 0.00 H new ATOM 847 N PRO A 452 7.656 -15.966 1.388 1.00 0.00 N ATOM 848 CA PRO A 452 8.346 -16.031 2.681 1.00 0.00 C ATOM 849 C PRO A 452 8.226 -14.730 3.466 1.00 0.00 C ATOM 850 O PRO A 452 9.209 -14.014 3.660 1.00 0.00 O ATOM 851 CB PRO A 452 9.806 -16.291 2.294 1.00 0.00 C ATOM 852 CG PRO A 452 9.925 -15.754 0.912 1.00 0.00 C ATOM 853 CD PRO A 452 8.600 -16.019 0.257 1.00 0.00 C ATOM 0 HA PRO A 452 7.922 -16.796 3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 452 10.493 -15.789 2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 452 10.043 -17.354 2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.149 -14.687 0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 452 10.734 -16.243 0.370 1.00 0.00 H new ATOM 0 HD2 PRO A 452 8.366 -15.270 -0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 452 8.582 -16.989 -0.239 1.00 0.00 H new ATOM 861 N LYS A 453 7.011 -14.430 3.911 1.00 0.00 N ATOM 862 CA LYS A 453 6.750 -13.215 4.675 1.00 0.00 C ATOM 863 C LYS A 453 7.032 -11.974 3.837 1.00 0.00 C ATOM 864 O LYS A 453 8.112 -11.387 3.923 1.00 0.00 O ATOM 865 CB LYS A 453 7.597 -13.190 5.950 1.00 0.00 C ATOM 866 CG LYS A 453 7.217 -14.266 6.954 1.00 0.00 C ATOM 867 CD LYS A 453 6.060 -13.822 7.838 1.00 0.00 C ATOM 868 CE LYS A 453 4.851 -14.729 7.673 1.00 0.00 C ATOM 869 NZ LYS A 453 4.135 -14.940 8.962 1.00 0.00 N ATOM 0 H LYS A 453 6.189 -15.013 3.755 1.00 0.00 H new ATOM 0 HA LYS A 453 5.696 -13.213 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 453 8.647 -13.310 5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.498 -12.213 6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 453 6.942 -15.178 6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 453 8.080 -14.506 7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 453 6.377 -13.823 8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 453 5.784 -12.797 7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 453 4.167 -14.293 6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 453 5.171 -15.691 7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 3.995 -15.959 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 4.699 -14.544 9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 3.210 -14.465 8.927 1.00 0.00 H new ATOM 883 N ALA A 454 6.054 -11.577 3.028 1.00 0.00 N ATOM 884 CA ALA A 454 6.195 -10.404 2.174 1.00 0.00 C ATOM 885 C ALA A 454 5.064 -9.411 2.414 1.00 0.00 C ATOM 886 O ALA A 454 3.899 -9.794 2.509 1.00 0.00 O ATOM 887 CB ALA A 454 6.236 -10.818 0.711 1.00 0.00 C ATOM 0 H ALA A 454 5.155 -12.052 2.947 1.00 0.00 H new ATOM 0 HA ALA A 454 7.134 -9.912 2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 454 6.341 -9.932 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 454 7.084 -11.483 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 454 5.312 -11.336 0.454 1.00 0.00 H new ATOM 893 N VAL A 455 5.416 -8.133 2.513 1.00 0.00 N ATOM 894 CA VAL A 455 4.431 -7.084 2.743 1.00 0.00 C ATOM 895 C VAL A 455 4.508 -6.010 1.663 1.00 0.00 C ATOM 896 O VAL A 455 5.313 -5.082 1.751 1.00 0.00 O ATOM 897 CB VAL A 455 4.624 -6.422 4.121 1.00 0.00 C ATOM 898 CG1 VAL A 455 3.474 -5.476 4.426 1.00 0.00 C ATOM 899 CG2 VAL A 455 4.756 -7.480 5.207 1.00 0.00 C ATOM 0 H VAL A 455 6.377 -7.799 2.437 1.00 0.00 H new ATOM 0 HA VAL A 455 3.451 -7.560 2.710 1.00 0.00 H new ATOM 0 HB VAL A 455 5.545 -5.840 4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 455 3.629 -5.018 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 455 3.431 -4.698 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 455 2.537 -6.032 4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 455 4.892 -6.994 6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 455 3.854 -8.091 5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 455 5.617 -8.113 4.995 1.00 0.00 H new ATOM 909 N VAL A 456 3.667 -6.143 0.643 1.00 0.00 N ATOM 910 CA VAL A 456 3.641 -5.186 -0.455 1.00 0.00 C ATOM 911 C VAL A 456 2.551 -4.139 -0.246 1.00 0.00 C ATOM 912 O VAL A 456 1.413 -4.471 0.092 1.00 0.00 O ATOM 913 CB VAL A 456 3.415 -5.889 -1.810 1.00 0.00 C ATOM 914 CG1 VAL A 456 2.067 -6.597 -1.831 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.522 -4.893 -2.954 1.00 0.00 C ATOM 0 H VAL A 456 2.994 -6.905 0.555 1.00 0.00 H new ATOM 0 HA VAL A 456 4.614 -4.694 -0.470 1.00 0.00 H new ATOM 0 HB VAL A 456 4.193 -6.641 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.928 -7.086 -2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 456 2.036 -7.344 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.271 -5.869 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 456 3.360 -5.408 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.769 -4.115 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.514 -4.442 -2.952 1.00 0.00 H new ATOM 925 N THR A 457 2.905 -2.875 -0.448 1.00 0.00 N ATOM 926 CA THR A 457 1.958 -1.778 -0.283 1.00 0.00 C ATOM 927 C THR A 457 1.894 -0.913 -1.537 1.00 0.00 C ATOM 928 O THR A 457 2.909 -0.387 -1.993 1.00 0.00 O ATOM 929 CB THR A 457 2.331 -0.891 0.920 1.00 0.00 C ATOM 930 OG1 THR A 457 3.072 -1.652 1.881 1.00 0.00 O ATOM 931 CG2 THR A 457 1.084 -0.314 1.575 1.00 0.00 C ATOM 0 H THR A 457 3.842 -2.584 -0.727 1.00 0.00 H new ATOM 0 HA THR A 457 0.981 -2.228 -0.105 1.00 0.00 H new ATOM 0 HB THR A 457 2.946 -0.068 0.558 1.00 0.00 H new ATOM 0 HG1 THR A 457 3.306 -1.080 2.641 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.373 0.309 2.422 1.00 0.00 H new ATOM 0 HG22 THR A 457 0.538 0.290 0.850 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.447 -1.127 1.923 1.00 0.00 H new ATOM 939 N THR A 458 0.693 -0.771 -2.090 1.00 0.00 N ATOM 940 CA THR A 458 0.497 0.029 -3.292 1.00 0.00 C ATOM 941 C THR A 458 0.101 1.460 -2.942 1.00 0.00 C ATOM 942 O THR A 458 -1.076 1.758 -2.744 1.00 0.00 O ATOM 943 CB THR A 458 -0.584 -0.580 -4.203 1.00 0.00 C ATOM 944 OG1 THR A 458 -0.668 -1.995 -3.987 1.00 0.00 O ATOM 945 CG2 THR A 458 -0.274 -0.307 -5.668 1.00 0.00 C ATOM 0 H THR A 458 -0.157 -1.199 -1.725 1.00 0.00 H new ATOM 0 HA THR A 458 1.448 0.037 -3.824 1.00 0.00 H new ATOM 0 HB THR A 458 -1.539 -0.116 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 458 -1.359 -2.374 -4.569 1.00 0.00 H new ATOM 0 HG21 THR A 458 -1.052 -0.747 -6.293 1.00 0.00 H new ATOM 0 HG22 THR A 458 -0.238 0.769 -5.838 1.00 0.00 H new ATOM 0 HG23 THR A 458 0.690 -0.747 -5.924 1.00 0.00 H new ATOM 953 N TYR A 459 1.093 2.341 -2.867 1.00 0.00 N ATOM 954 CA TYR A 459 0.849 3.741 -2.541 1.00 0.00 C ATOM 955 C TYR A 459 0.349 4.506 -3.762 1.00 0.00 C ATOM 956 O TYR A 459 1.138 4.947 -4.596 1.00 0.00 O ATOM 957 CB TYR A 459 2.125 4.392 -2.006 1.00 0.00 C ATOM 958 CG TYR A 459 2.366 4.136 -0.534 1.00 0.00 C ATOM 959 CD1 TYR A 459 1.741 4.911 0.436 1.00 0.00 C ATOM 960 CD2 TYR A 459 3.217 3.121 -0.116 1.00 0.00 C ATOM 961 CE1 TYR A 459 1.958 4.679 1.781 1.00 0.00 C ATOM 962 CE2 TYR A 459 3.438 2.884 1.227 1.00 0.00 C ATOM 963 CZ TYR A 459 2.808 3.665 2.171 1.00 0.00 C ATOM 964 OH TYR A 459 3.027 3.432 3.509 1.00 0.00 O ATOM 0 H TYR A 459 2.073 2.110 -3.028 1.00 0.00 H new ATOM 0 HA TYR A 459 0.079 3.779 -1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.978 4.021 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 459 2.072 5.468 -2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 459 1.076 5.706 0.134 1.00 0.00 H new ATOM 0 HD2 TYR A 459 3.714 2.507 -0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 459 1.464 5.289 2.523 1.00 0.00 H new ATOM 0 HE2 TYR A 459 4.102 2.090 1.536 1.00 0.00 H new ATOM 0 HH TYR A 459 3.650 2.683 3.613 1.00 0.00 H new ATOM 974 N GLU A 460 -0.969 4.657 -3.861 1.00 0.00 N ATOM 975 CA GLU A 460 -1.574 5.367 -4.981 1.00 0.00 C ATOM 976 C GLU A 460 -1.829 6.829 -4.624 1.00 0.00 C ATOM 977 O GLU A 460 -2.630 7.132 -3.740 1.00 0.00 O ATOM 978 CB GLU A 460 -2.886 4.694 -5.391 1.00 0.00 C ATOM 979 CG GLU A 460 -2.711 3.614 -6.446 1.00 0.00 C ATOM 980 CD GLU A 460 -3.822 2.584 -6.413 1.00 0.00 C ATOM 981 OE1 GLU A 460 -4.858 2.805 -7.074 1.00 0.00 O ATOM 982 OE2 GLU A 460 -3.657 1.554 -5.725 1.00 0.00 O ATOM 0 H GLU A 460 -1.637 4.297 -3.179 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.878 5.332 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.352 4.256 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.571 5.453 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -2.678 4.076 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -1.753 3.116 -6.295 1.00 0.00 H new ATOM 989 N GLY A 461 -1.141 7.730 -5.316 1.00 0.00 N ATOM 990 CA GLY A 461 -1.306 9.148 -5.058 1.00 0.00 C ATOM 991 C GLY A 461 -0.081 9.766 -4.409 1.00 0.00 C ATOM 992 O GLY A 461 0.967 9.127 -4.314 1.00 0.00 O ATOM 0 H GLY A 461 -0.472 7.503 -6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.515 9.663 -5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.171 9.298 -4.412 1.00 0.00 H new ATOM 996 N LYS A 462 -0.215 11.011 -3.963 1.00 0.00 N ATOM 997 CA LYS A 462 0.890 11.713 -3.320 1.00 0.00 C ATOM 998 C LYS A 462 0.380 12.638 -2.219 1.00 0.00 C ATOM 999 O LYS A 462 -0.715 13.190 -2.317 1.00 0.00 O ATOM 1000 CB LYS A 462 1.679 12.519 -4.354 1.00 0.00 C ATOM 1001 CG LYS A 462 2.800 11.733 -5.013 1.00 0.00 C ATOM 1002 CD LYS A 462 2.984 12.137 -6.465 1.00 0.00 C ATOM 1003 CE LYS A 462 3.804 11.109 -7.229 1.00 0.00 C ATOM 1004 NZ LYS A 462 3.284 9.726 -7.034 1.00 0.00 N ATOM 0 H LYS A 462 -1.076 11.553 -4.035 1.00 0.00 H new ATOM 0 HA LYS A 462 1.547 10.969 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 462 0.995 12.874 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 462 2.100 13.400 -3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 462 3.730 11.897 -4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 462 2.581 10.667 -4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 462 2.009 12.251 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 462 3.478 13.107 -6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 462 3.794 11.354 -8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 462 4.842 11.156 -6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 3.571 9.131 -7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 3.672 9.330 -6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 2.246 9.751 -6.975 1.00 0.00 H new ATOM 1018 N HIS A 463 1.182 12.801 -1.172 1.00 0.00 N ATOM 1019 CA HIS A 463 0.812 13.659 -0.053 1.00 0.00 C ATOM 1020 C HIS A 463 1.151 15.117 -0.349 1.00 0.00 C ATOM 1021 O HIS A 463 2.321 15.481 -0.471 1.00 0.00 O ATOM 1022 CB HIS A 463 1.527 13.208 1.221 1.00 0.00 C ATOM 1023 CG HIS A 463 1.161 11.822 1.654 1.00 0.00 C ATOM 1024 ND1 HIS A 463 -0.039 11.513 2.257 1.00 0.00 N ATOM 1025 CD2 HIS A 463 1.846 10.656 1.571 1.00 0.00 C ATOM 1026 CE1 HIS A 463 -0.079 10.221 2.526 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.053 9.678 2.119 1.00 0.00 N ATOM 0 H HIS A 463 2.092 12.350 -1.075 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.265 13.577 0.093 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.604 13.257 1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 463 1.293 13.905 2.026 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.832 10.521 1.152 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.898 9.698 2.998 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.299 8.691 2.199 1.00 0.00 H new ATOM 1035 N ASN A 464 0.119 15.947 -0.463 1.00 0.00 N ATOM 1036 CA ASN A 464 0.308 17.365 -0.746 1.00 0.00 C ATOM 1037 C ASN A 464 0.238 18.190 0.537 1.00 0.00 C ATOM 1038 O ASN A 464 -0.258 19.316 0.536 1.00 0.00 O ATOM 1039 CB ASN A 464 -0.748 17.854 -1.738 1.00 0.00 C ATOM 1040 CG ASN A 464 -0.491 17.358 -3.148 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -0.123 18.131 -4.033 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -0.683 16.061 -3.362 1.00 0.00 N ATOM 0 H ASN A 464 -0.855 15.662 -0.364 1.00 0.00 H new ATOM 0 HA ASN A 464 1.297 17.493 -1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -1.732 17.518 -1.412 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -0.766 18.944 -1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -0.525 15.668 -4.290 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -0.988 15.458 -2.598 1.00 0.00 H new ATOM 1049 N HIS A 465 0.736 17.619 1.629 1.00 0.00 N ATOM 1050 CA HIS A 465 0.729 18.300 2.918 1.00 0.00 C ATOM 1051 C HIS A 465 1.935 17.889 3.758 1.00 0.00 C ATOM 1052 O HIS A 465 2.365 16.737 3.722 1.00 0.00 O ATOM 1053 CB HIS A 465 -0.563 17.986 3.676 1.00 0.00 C ATOM 1054 CG HIS A 465 -0.742 16.530 3.974 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.506 15.982 5.218 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.138 15.505 3.182 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -0.748 14.684 5.178 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.132 14.370 3.955 1.00 0.00 N ATOM 0 H HIS A 465 1.149 16.687 1.647 1.00 0.00 H new ATOM 0 HA HIS A 465 0.785 19.373 2.734 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -0.570 18.544 4.612 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -1.413 18.336 3.090 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -0.193 16.498 6.040 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.408 15.568 2.138 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.649 13.997 6.005 1.00 0.00 H new ATOM 1066 N ASP A 466 2.476 18.841 4.511 1.00 0.00 N ATOM 1067 CA ASP A 466 3.632 18.578 5.360 1.00 0.00 C ATOM 1068 C ASP A 466 3.280 17.582 6.461 1.00 0.00 C ATOM 1069 O ASP A 466 2.124 17.474 6.867 1.00 0.00 O ATOM 1070 CB ASP A 466 4.143 19.881 5.979 1.00 0.00 C ATOM 1071 CG ASP A 466 5.213 20.541 5.133 1.00 0.00 C ATOM 1072 OD1 ASP A 466 4.935 20.844 3.953 1.00 0.00 O ATOM 1073 OD2 ASP A 466 6.330 20.757 5.649 1.00 0.00 O ATOM 0 H ASP A 466 2.133 19.801 4.551 1.00 0.00 H new ATOM 0 HA ASP A 466 4.418 18.146 4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 466 3.309 20.571 6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 466 4.544 19.676 6.972 1.00 0.00 H new ATOM 1078 N LEU A 467 4.287 16.855 6.938 1.00 0.00 N ATOM 1079 CA LEU A 467 4.081 15.868 7.992 1.00 0.00 C ATOM 1080 C LEU A 467 3.583 16.535 9.273 1.00 0.00 C ATOM 1081 O LEU A 467 4.191 17.488 9.759 1.00 0.00 O ATOM 1082 CB LEU A 467 5.382 15.113 8.270 1.00 0.00 C ATOM 1083 CG LEU A 467 5.754 14.054 7.231 1.00 0.00 C ATOM 1084 CD1 LEU A 467 7.260 13.854 7.187 1.00 0.00 C ATOM 1085 CD2 LEU A 467 5.047 12.741 7.535 1.00 0.00 C ATOM 0 H LEU A 467 5.251 16.931 6.612 1.00 0.00 H new ATOM 0 HA LEU A 467 3.323 15.162 7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 467 6.196 15.835 8.337 1.00 0.00 H new ATOM 0 HB3 LEU A 467 5.303 14.631 9.244 1.00 0.00 H new ATOM 0 HG LEU A 467 5.428 14.402 6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 467 7.505 13.097 6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 467 7.744 14.794 6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 467 7.612 13.528 8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 467 5.322 11.998 6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 467 5.344 12.388 8.523 1.00 0.00 H new ATOM 0 HD23 LEU A 467 3.968 12.895 7.514 1.00 0.00 H new ATOM 1097 N PRO A 468 2.466 16.044 9.841 1.00 0.00 N ATOM 1098 CA PRO A 468 1.898 16.605 11.071 1.00 0.00 C ATOM 1099 C PRO A 468 2.925 16.695 12.195 1.00 0.00 C ATOM 1100 O PRO A 468 4.075 16.290 12.030 1.00 0.00 O ATOM 1101 CB PRO A 468 0.789 15.614 11.439 1.00 0.00 C ATOM 1102 CG PRO A 468 0.410 14.976 10.149 1.00 0.00 C ATOM 1103 CD PRO A 468 1.671 14.909 9.334 1.00 0.00 C ATOM 0 HA PRO A 468 1.544 17.626 10.926 1.00 0.00 H new ATOM 0 HB2 PRO A 468 1.141 14.875 12.158 1.00 0.00 H new ATOM 0 HB3 PRO A 468 -0.061 16.122 11.894 1.00 0.00 H new ATOM 0 HG2 PRO A 468 -0.002 13.980 10.312 1.00 0.00 H new ATOM 0 HG3 PRO A 468 -0.356 15.558 9.636 1.00 0.00 H new ATOM 0 HD2 PRO A 468 2.190 13.961 9.474 1.00 0.00 H new ATOM 0 HD3 PRO A 468 1.466 15.006 8.268 1.00 0.00 H new ATOM 1111 N ALA A 469 2.502 17.228 13.337 1.00 0.00 N ATOM 1112 CA ALA A 469 3.386 17.370 14.487 1.00 0.00 C ATOM 1113 C ALA A 469 3.392 16.102 15.334 1.00 0.00 C ATOM 1114 O ALA A 469 4.256 15.995 16.230 1.00 0.00 O ATOM 1115 CB ALA A 469 2.969 18.567 15.327 1.00 0.00 C ATOM 1116 OXT ALA A 469 2.532 15.229 15.096 1.00 0.00 O ATOM 0 H ALA A 469 1.553 17.568 13.490 1.00 0.00 H new ATOM 0 HA ALA A 469 4.399 17.534 14.119 1.00 0.00 H new ATOM 0 HB1 ALA A 469 3.638 18.662 16.183 1.00 0.00 H new ATOM 0 HB2 ALA A 469 3.023 19.472 14.722 1.00 0.00 H new ATOM 0 HB3 ALA A 469 1.947 18.426 15.679 1.00 0.00 H new TER 1122 ALA A 469 HETATM 1123 ZN ZN A 470 -1.746 12.678 2.801 1.00 0.00 ZN