USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 406 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 32 HIS HE2 : A 32 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -56:sc=0.000303 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -29:sc= 0.768 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -19:sc= 0.309 USER MOD Single : A 22 LYS NZ :NH3+ -133:sc= 0.794 (180deg=-0.409) USER MOD Single : A 23 TYR OH : rot 150:sc= -1.47 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 88:sc= 0.117 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= -0.0527 (180deg=-0.31) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.547) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.626 16.997 28.290 1.00 0.00 N ATOM 2 CA GLY A 1 -15.273 17.638 27.037 1.00 0.00 C ATOM 3 C GLY A 1 -16.024 18.937 26.819 1.00 0.00 C ATOM 4 O GLY A 1 -15.509 20.016 27.110 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.086 16.114 28.392 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.401 17.634 29.081 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.644 16.783 28.296 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.201 17.835 27.022 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.483 16.957 26.212 1.00 0.00 H new ATOM 8 N SER A 2 -17.245 18.834 26.303 1.00 0.00 N ATOM 9 CA SER A 2 -18.066 20.010 26.041 1.00 0.00 C ATOM 10 C SER A 2 -17.374 20.947 25.055 1.00 0.00 C ATOM 11 O SER A 2 -17.385 22.165 25.228 1.00 0.00 O ATOM 12 CB SER A 2 -18.362 20.752 27.345 1.00 0.00 C ATOM 13 OG SER A 2 -19.531 21.544 27.227 1.00 0.00 O ATOM 0 H SER A 2 -17.687 17.948 26.058 1.00 0.00 H new ATOM 0 HA SER A 2 -19.005 19.676 25.600 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.486 20.034 28.156 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.515 21.386 27.607 1.00 0.00 H new ATOM 0 HG SER A 2 -19.430 22.166 26.477 1.00 0.00 H new ATOM 19 N SER A 3 -16.772 20.368 24.021 1.00 0.00 N ATOM 20 CA SER A 3 -16.071 21.149 23.009 1.00 0.00 C ATOM 21 C SER A 3 -16.260 20.539 21.624 1.00 0.00 C ATOM 22 O SER A 3 -16.464 19.333 21.487 1.00 0.00 O ATOM 23 CB SER A 3 -14.580 21.234 23.342 1.00 0.00 C ATOM 24 OG SER A 3 -13.923 22.171 22.506 1.00 0.00 O ATOM 0 H SER A 3 -16.756 19.361 23.862 1.00 0.00 H new ATOM 0 HA SER A 3 -16.493 22.154 23.005 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.453 21.522 24.386 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.121 20.252 23.224 1.00 0.00 H new ATOM 0 HG SER A 3 -12.972 22.208 22.740 1.00 0.00 H new ATOM 30 N GLY A 4 -16.192 21.382 20.598 1.00 0.00 N ATOM 31 CA GLY A 4 -16.359 20.908 19.236 1.00 0.00 C ATOM 32 C GLY A 4 -15.034 20.669 18.540 1.00 0.00 C ATOM 33 O GLY A 4 -13.975 20.996 19.076 1.00 0.00 O ATOM 0 H GLY A 4 -16.024 22.384 20.685 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.934 19.982 19.245 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.938 21.637 18.669 1.00 0.00 H new ATOM 37 N SER A 5 -15.092 20.094 17.343 1.00 0.00 N ATOM 38 CA SER A 5 -13.886 19.805 16.575 1.00 0.00 C ATOM 39 C SER A 5 -13.502 20.994 15.700 1.00 0.00 C ATOM 40 O SER A 5 -12.337 21.388 15.645 1.00 0.00 O ATOM 41 CB SER A 5 -14.096 18.564 15.705 1.00 0.00 C ATOM 42 OG SER A 5 -13.062 18.434 14.744 1.00 0.00 O ATOM 0 H SER A 5 -15.960 19.819 16.884 1.00 0.00 H new ATOM 0 HA SER A 5 -13.074 19.615 17.277 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.125 17.675 16.335 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.060 18.629 15.200 1.00 0.00 H new ATOM 0 HG SER A 5 -13.218 17.633 14.202 1.00 0.00 H new ATOM 48 N SER A 6 -14.490 21.562 15.016 1.00 0.00 N ATOM 49 CA SER A 6 -14.256 22.704 14.140 1.00 0.00 C ATOM 50 C SER A 6 -13.008 22.489 13.289 1.00 0.00 C ATOM 51 O SER A 6 -12.204 23.402 13.106 1.00 0.00 O ATOM 52 CB SER A 6 -14.112 23.984 14.964 1.00 0.00 C ATOM 53 OG SER A 6 -12.821 24.076 15.542 1.00 0.00 O ATOM 0 H SER A 6 -15.460 21.250 15.052 1.00 0.00 H new ATOM 0 HA SER A 6 -15.114 22.803 13.476 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.292 24.851 14.329 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.868 24.002 15.749 1.00 0.00 H new ATOM 0 HG SER A 6 -12.468 23.175 15.698 1.00 0.00 H new ATOM 59 N GLY A 7 -12.854 21.274 12.771 1.00 0.00 N ATOM 60 CA GLY A 7 -11.702 20.960 11.946 1.00 0.00 C ATOM 61 C GLY A 7 -12.064 20.798 10.483 1.00 0.00 C ATOM 62 O GLY A 7 -13.124 21.244 10.045 1.00 0.00 O ATOM 0 H GLY A 7 -13.506 20.502 12.908 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.959 21.751 12.048 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.240 20.041 12.307 1.00 0.00 H new ATOM 66 N GLY A 8 -11.180 20.159 9.723 1.00 0.00 N ATOM 67 CA GLY A 8 -11.429 19.952 8.309 1.00 0.00 C ATOM 68 C GLY A 8 -10.281 20.430 7.442 1.00 0.00 C ATOM 69 O GLY A 8 -9.992 21.626 7.384 1.00 0.00 O ATOM 0 H GLY A 8 -10.295 19.781 10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.602 18.892 8.125 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.340 20.478 8.023 1.00 0.00 H new ATOM 73 N THR A 9 -9.622 19.494 6.766 1.00 0.00 N ATOM 74 CA THR A 9 -8.497 19.826 5.901 1.00 0.00 C ATOM 75 C THR A 9 -8.903 19.788 4.432 1.00 0.00 C ATOM 76 O THR A 9 -9.099 18.715 3.860 1.00 0.00 O ATOM 77 CB THR A 9 -7.316 18.861 6.120 1.00 0.00 C ATOM 78 OG1 THR A 9 -6.981 18.805 7.511 1.00 0.00 O ATOM 79 CG2 THR A 9 -6.101 19.303 5.319 1.00 0.00 C ATOM 0 H THR A 9 -9.848 18.500 6.801 1.00 0.00 H new ATOM 0 HA THR A 9 -8.185 20.837 6.163 1.00 0.00 H new ATOM 0 HB THR A 9 -7.617 17.870 5.778 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.231 18.188 7.642 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.280 18.607 5.489 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.350 19.317 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.801 20.302 5.635 1.00 0.00 H new ATOM 87 N ASP A 10 -9.027 20.964 3.827 1.00 0.00 N ATOM 88 CA ASP A 10 -9.409 21.065 2.423 1.00 0.00 C ATOM 89 C ASP A 10 -8.192 20.905 1.516 1.00 0.00 C ATOM 90 O ASP A 10 -8.012 21.662 0.563 1.00 0.00 O ATOM 91 CB ASP A 10 -10.089 22.407 2.152 1.00 0.00 C ATOM 92 CG ASP A 10 -11.299 22.633 3.038 1.00 0.00 C ATOM 93 OD1 ASP A 10 -11.248 22.240 4.223 1.00 0.00 O ATOM 94 OD2 ASP A 10 -12.295 23.202 2.547 1.00 0.00 O ATOM 0 H ASP A 10 -8.869 21.861 4.287 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.111 20.261 2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.372 23.213 2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.394 22.452 1.107 1.00 0.00 H new ATOM 99 N GLY A 11 -7.359 19.914 1.821 1.00 0.00 N ATOM 100 CA GLY A 11 -6.170 19.674 1.025 1.00 0.00 C ATOM 101 C GLY A 11 -5.810 18.203 0.949 1.00 0.00 C ATOM 102 O GLY A 11 -6.326 17.389 1.717 1.00 0.00 O ATOM 0 H GLY A 11 -7.487 19.274 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.327 20.059 0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.333 20.228 1.451 1.00 0.00 H new ATOM 106 N THR A 12 -4.924 17.859 0.020 1.00 0.00 N ATOM 107 CA THR A 12 -4.498 16.477 -0.155 1.00 0.00 C ATOM 108 C THR A 12 -3.012 16.316 0.146 1.00 0.00 C ATOM 109 O THR A 12 -2.188 17.116 -0.298 1.00 0.00 O ATOM 110 CB THR A 12 -4.776 15.980 -1.587 1.00 0.00 C ATOM 111 OG1 THR A 12 -4.452 14.590 -1.694 1.00 0.00 O ATOM 112 CG2 THR A 12 -3.968 16.775 -2.601 1.00 0.00 C ATOM 0 H THR A 12 -4.487 18.519 -0.623 1.00 0.00 H new ATOM 0 HA THR A 12 -5.076 15.878 0.549 1.00 0.00 H new ATOM 0 HB THR A 12 -5.836 16.122 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.633 14.281 -2.606 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.180 16.407 -3.605 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.239 17.829 -2.536 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.905 16.660 -2.390 1.00 0.00 H new ATOM 120 N LYS A 13 -2.676 15.278 0.904 1.00 0.00 N ATOM 121 CA LYS A 13 -1.288 15.011 1.264 1.00 0.00 C ATOM 122 C LYS A 13 -0.945 13.540 1.052 1.00 0.00 C ATOM 123 O LYS A 13 -1.810 12.664 1.086 1.00 0.00 O ATOM 124 CB LYS A 13 -1.034 15.400 2.722 1.00 0.00 C ATOM 125 CG LYS A 13 -0.878 16.896 2.934 1.00 0.00 C ATOM 126 CD LYS A 13 0.041 17.201 4.104 1.00 0.00 C ATOM 127 CE LYS A 13 1.503 17.184 3.683 1.00 0.00 C ATOM 128 NZ LYS A 13 2.417 17.095 4.856 1.00 0.00 N ATOM 0 H LYS A 13 -3.346 14.608 1.281 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.649 15.612 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.860 15.039 3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.133 14.896 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.479 17.353 2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.856 17.343 3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.208 18.178 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.120 16.468 4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.680 16.337 3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.728 18.087 3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.404 17.086 4.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.266 17.916 5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.220 16.221 5.384 1.00 0.00 H new ATOM 142 N PRO A 14 0.348 13.259 0.829 1.00 0.00 N ATOM 143 CA PRO A 14 0.835 11.894 0.609 1.00 0.00 C ATOM 144 C PRO A 14 0.767 11.044 1.873 1.00 0.00 C ATOM 145 O PRO A 14 1.699 11.037 2.678 1.00 0.00 O ATOM 146 CB PRO A 14 2.290 12.101 0.181 1.00 0.00 C ATOM 147 CG PRO A 14 2.678 13.409 0.779 1.00 0.00 C ATOM 148 CD PRO A 14 1.433 14.252 0.774 1.00 0.00 C ATOM 0 HA PRO A 14 0.233 11.360 -0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.928 11.295 0.544 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.385 12.118 -0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.056 13.278 1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.472 13.882 0.201 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.402 14.928 1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.369 14.868 -0.123 1.00 0.00 H new ATOM 156 N GLU A 15 -0.340 10.328 2.042 1.00 0.00 N ATOM 157 CA GLU A 15 -0.528 9.475 3.209 1.00 0.00 C ATOM 158 C GLU A 15 -1.249 8.185 2.830 1.00 0.00 C ATOM 159 O GLU A 15 -1.619 7.984 1.673 1.00 0.00 O ATOM 160 CB GLU A 15 -1.320 10.217 4.288 1.00 0.00 C ATOM 161 CG GLU A 15 -2.815 10.266 4.020 1.00 0.00 C ATOM 162 CD GLU A 15 -3.469 11.509 4.592 1.00 0.00 C ATOM 163 OE1 GLU A 15 -3.086 12.624 4.182 1.00 0.00 O ATOM 164 OE2 GLU A 15 -4.365 11.365 5.450 1.00 0.00 O ATOM 0 H GLU A 15 -1.120 10.322 1.385 1.00 0.00 H new ATOM 0 HA GLU A 15 0.456 9.219 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.147 9.734 5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.940 11.236 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.989 10.230 2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.287 9.382 4.449 1.00 0.00 H new ATOM 171 N CYS A 16 -1.444 7.312 3.813 1.00 0.00 N ATOM 172 CA CYS A 16 -2.119 6.041 3.585 1.00 0.00 C ATOM 173 C CYS A 16 -3.222 5.817 4.616 1.00 0.00 C ATOM 174 O CYS A 16 -3.016 5.144 5.626 1.00 0.00 O ATOM 175 CB CYS A 16 -1.114 4.889 3.639 1.00 0.00 C ATOM 176 SG CYS A 16 -1.555 3.467 2.588 1.00 0.00 S ATOM 0 H CYS A 16 -1.143 7.463 4.776 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.573 6.072 2.595 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.135 5.261 3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.022 4.550 4.671 1.00 0.00 H new ATOM 181 N THR A 17 -4.394 6.386 4.354 1.00 0.00 N ATOM 182 CA THR A 17 -5.529 6.251 5.258 1.00 0.00 C ATOM 183 C THR A 17 -5.797 4.787 5.589 1.00 0.00 C ATOM 184 O THR A 17 -6.504 4.475 6.548 1.00 0.00 O ATOM 185 CB THR A 17 -6.804 6.871 4.656 1.00 0.00 C ATOM 186 OG1 THR A 17 -7.912 6.669 5.541 1.00 0.00 O ATOM 187 CG2 THR A 17 -7.115 6.259 3.299 1.00 0.00 C ATOM 0 H THR A 17 -4.582 6.945 3.522 1.00 0.00 H new ATOM 0 HA THR A 17 -5.270 6.786 6.172 1.00 0.00 H new ATOM 0 HB THR A 17 -6.634 7.940 4.525 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.706 5.939 6.161 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.020 6.713 2.894 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.283 6.440 2.619 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.266 5.185 3.410 1.00 0.00 H new ATOM 195 N LEU A 18 -5.228 3.891 4.789 1.00 0.00 N ATOM 196 CA LEU A 18 -5.405 2.458 4.998 1.00 0.00 C ATOM 197 C LEU A 18 -4.435 1.938 6.054 1.00 0.00 C ATOM 198 O LEU A 18 -4.822 1.192 6.954 1.00 0.00 O ATOM 199 CB LEU A 18 -5.198 1.703 3.684 1.00 0.00 C ATOM 200 CG LEU A 18 -4.875 0.213 3.809 1.00 0.00 C ATOM 201 CD1 LEU A 18 -6.088 -0.555 4.311 1.00 0.00 C ATOM 202 CD2 LEU A 18 -4.403 -0.344 2.475 1.00 0.00 C ATOM 0 H LEU A 18 -4.641 4.131 3.990 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.422 2.290 5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.100 1.809 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.389 2.185 3.135 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.070 0.094 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.840 -1.613 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.381 -0.173 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.914 -0.430 3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.178 -1.405 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.186 -0.213 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.506 0.187 2.156 1.00 0.00 H new ATOM 214 N CYS A 19 -3.173 2.338 5.940 1.00 0.00 N ATOM 215 CA CYS A 19 -2.148 1.914 6.885 1.00 0.00 C ATOM 216 C CYS A 19 -1.851 3.018 7.897 1.00 0.00 C ATOM 217 O CYS A 19 -0.959 2.884 8.734 1.00 0.00 O ATOM 218 CB CYS A 19 -0.866 1.531 6.142 1.00 0.00 C ATOM 219 SG CYS A 19 -1.148 0.563 4.625 1.00 0.00 S ATOM 0 H CYS A 19 -2.836 2.956 5.202 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.523 1.043 7.422 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.322 2.440 5.885 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.227 0.957 6.813 1.00 0.00 H new ATOM 224 N GLY A 20 -2.607 4.108 7.813 1.00 0.00 N ATOM 225 CA GLY A 20 -2.410 5.219 8.726 1.00 0.00 C ATOM 226 C GLY A 20 -0.981 5.724 8.725 1.00 0.00 C ATOM 227 O GLY A 20 -0.511 6.280 9.718 1.00 0.00 O ATOM 0 H GLY A 20 -3.352 4.242 7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.080 6.034 8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.682 4.909 9.735 1.00 0.00 H new ATOM 231 N VAL A 21 -0.286 5.529 7.609 1.00 0.00 N ATOM 232 CA VAL A 21 1.098 5.968 7.483 1.00 0.00 C ATOM 233 C VAL A 21 1.211 7.170 6.552 1.00 0.00 C ATOM 234 O VAL A 21 1.083 7.041 5.335 1.00 0.00 O ATOM 235 CB VAL A 21 2.000 4.837 6.955 1.00 0.00 C ATOM 236 CG1 VAL A 21 3.446 5.302 6.870 1.00 0.00 C ATOM 237 CG2 VAL A 21 1.879 3.604 7.837 1.00 0.00 C ATOM 0 H VAL A 21 -0.660 5.069 6.779 1.00 0.00 H new ATOM 0 HA VAL A 21 1.432 6.253 8.481 1.00 0.00 H new ATOM 0 HB VAL A 21 1.670 4.571 5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.068 4.489 6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.515 6.154 6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.792 5.597 7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.523 2.815 7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.182 3.853 8.854 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.845 3.259 7.841 1.00 0.00 H new ATOM 247 N LYS A 22 1.452 8.341 7.133 1.00 0.00 N ATOM 248 CA LYS A 22 1.585 9.568 6.356 1.00 0.00 C ATOM 249 C LYS A 22 3.001 9.716 5.811 1.00 0.00 C ATOM 250 O LYS A 22 3.940 9.988 6.560 1.00 0.00 O ATOM 251 CB LYS A 22 1.229 10.782 7.218 1.00 0.00 C ATOM 252 CG LYS A 22 1.272 12.098 6.461 1.00 0.00 C ATOM 253 CD LYS A 22 0.537 13.196 7.211 1.00 0.00 C ATOM 254 CE LYS A 22 -0.969 13.090 7.021 1.00 0.00 C ATOM 255 NZ LYS A 22 -1.423 13.787 5.786 1.00 0.00 N ATOM 0 H LYS A 22 1.559 8.466 8.140 1.00 0.00 H new ATOM 0 HA LYS A 22 0.895 9.512 5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.230 10.643 7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.919 10.834 8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.309 12.395 6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.825 11.967 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.776 13.135 8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.881 14.170 6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.256 12.040 6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.475 13.518 7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.250 14.379 6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.655 14.387 5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.682 13.083 5.066 1.00 0.00 H new ATOM 269 N TYR A 23 3.148 9.538 4.503 1.00 0.00 N ATOM 270 CA TYR A 23 4.451 9.651 3.858 1.00 0.00 C ATOM 271 C TYR A 23 5.040 11.044 4.060 1.00 0.00 C ATOM 272 O TYR A 23 4.314 12.008 4.304 1.00 0.00 O ATOM 273 CB TYR A 23 4.331 9.348 2.363 1.00 0.00 C ATOM 274 CG TYR A 23 3.304 8.287 2.041 1.00 0.00 C ATOM 275 CD1 TYR A 23 3.200 7.135 2.812 1.00 0.00 C ATOM 276 CD2 TYR A 23 2.437 8.435 0.966 1.00 0.00 C ATOM 277 CE1 TYR A 23 2.263 6.163 2.522 1.00 0.00 C ATOM 278 CE2 TYR A 23 1.496 7.468 0.668 1.00 0.00 C ATOM 279 CZ TYR A 23 1.413 6.334 1.449 1.00 0.00 C ATOM 280 OH TYR A 23 0.478 5.368 1.155 1.00 0.00 O ATOM 0 H TYR A 23 2.381 9.315 3.868 1.00 0.00 H new ATOM 0 HA TYR A 23 5.120 8.923 4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.071 10.265 1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.302 9.028 1.987 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.864 6.998 3.653 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.499 9.321 0.352 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.196 5.274 3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.829 7.599 -0.172 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.305 5.786 0.741 1.00 0.00 H new ATOM 290 N SER A 24 6.361 11.142 3.956 1.00 0.00 N ATOM 291 CA SER A 24 7.050 12.415 4.130 1.00 0.00 C ATOM 292 C SER A 24 7.287 13.093 2.784 1.00 0.00 C ATOM 293 O SER A 24 7.340 12.434 1.745 1.00 0.00 O ATOM 294 CB SER A 24 8.383 12.204 4.849 1.00 0.00 C ATOM 295 OG SER A 24 8.941 13.439 5.263 1.00 0.00 O ATOM 0 H SER A 24 6.976 10.354 3.752 1.00 0.00 H new ATOM 0 HA SER A 24 6.417 13.062 4.737 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.234 11.560 5.716 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.080 11.691 4.186 1.00 0.00 H new ATOM 0 HG SER A 24 9.792 13.276 5.721 1.00 0.00 H new ATOM 301 N ALA A 25 7.429 14.414 2.810 1.00 0.00 N ATOM 302 CA ALA A 25 7.662 15.182 1.594 1.00 0.00 C ATOM 303 C ALA A 25 8.504 14.391 0.598 1.00 0.00 C ATOM 304 O ALA A 25 8.272 14.449 -0.609 1.00 0.00 O ATOM 305 CB ALA A 25 8.337 16.505 1.926 1.00 0.00 C ATOM 0 H ALA A 25 7.387 14.975 3.661 1.00 0.00 H new ATOM 0 HA ALA A 25 6.696 15.386 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.505 17.068 1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.698 17.082 2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.293 16.314 2.414 1.00 0.00 H new ATOM 311 N ARG A 26 9.483 13.655 1.113 1.00 0.00 N ATOM 312 CA ARG A 26 10.361 12.854 0.268 1.00 0.00 C ATOM 313 C ARG A 26 9.670 11.565 -0.167 1.00 0.00 C ATOM 314 O ARG A 26 9.427 11.348 -1.355 1.00 0.00 O ATOM 315 CB ARG A 26 11.657 12.524 1.011 1.00 0.00 C ATOM 316 CG ARG A 26 12.625 11.678 0.201 1.00 0.00 C ATOM 317 CD ARG A 26 14.026 11.714 0.791 1.00 0.00 C ATOM 318 NE ARG A 26 15.052 11.456 -0.217 1.00 0.00 N ATOM 319 CZ ARG A 26 16.313 11.161 0.077 1.00 0.00 C ATOM 320 NH1 ARG A 26 16.702 11.086 1.342 1.00 0.00 N ATOM 321 NH2 ARG A 26 17.188 10.939 -0.896 1.00 0.00 N ATOM 0 H ARG A 26 9.688 13.597 2.110 1.00 0.00 H new ATOM 0 HA ARG A 26 10.598 13.437 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.150 13.454 1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.413 11.998 1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.270 10.648 0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.653 12.039 -0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.202 12.688 1.247 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.104 10.972 1.586 1.00 0.00 H new ATOM 0 HE ARG A 26 14.785 11.505 -1.200 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.032 11.255 2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.671 10.859 1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.892 10.995 -1.871 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.156 10.713 -0.669 1.00 0.00 H new ATOM 335 N LEU A 27 9.356 10.712 0.802 1.00 0.00 N ATOM 336 CA LEU A 27 8.694 9.443 0.520 1.00 0.00 C ATOM 337 C LEU A 27 7.609 9.619 -0.538 1.00 0.00 C ATOM 338 O LEU A 27 7.127 10.728 -0.769 1.00 0.00 O ATOM 339 CB LEU A 27 8.085 8.868 1.800 1.00 0.00 C ATOM 340 CG LEU A 27 7.555 7.436 1.707 1.00 0.00 C ATOM 341 CD1 LEU A 27 8.665 6.483 1.293 1.00 0.00 C ATOM 342 CD2 LEU A 27 6.946 7.006 3.033 1.00 0.00 C ATOM 0 H LEU A 27 9.549 10.876 1.790 1.00 0.00 H new ATOM 0 HA LEU A 27 9.441 8.748 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.840 8.905 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.267 9.517 2.113 1.00 0.00 H new ATOM 0 HG LEU A 27 6.775 7.405 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.270 5.469 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.055 6.780 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.467 6.516 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.574 5.985 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.705 7.052 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.122 7.672 3.288 1.00 0.00 H new ATOM 354 N SER A 28 7.228 8.517 -1.176 1.00 0.00 N ATOM 355 CA SER A 28 6.201 8.550 -2.211 1.00 0.00 C ATOM 356 C SER A 28 5.273 7.345 -2.093 1.00 0.00 C ATOM 357 O SER A 28 5.656 6.303 -1.560 1.00 0.00 O ATOM 358 CB SER A 28 6.845 8.578 -3.598 1.00 0.00 C ATOM 359 OG SER A 28 7.402 9.851 -3.876 1.00 0.00 O ATOM 0 H SER A 28 7.615 7.591 -0.995 1.00 0.00 H new ATOM 0 HA SER A 28 5.611 9.456 -2.074 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.623 7.817 -3.657 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.099 8.331 -4.354 1.00 0.00 H new ATOM 0 HG SER A 28 7.809 9.842 -4.767 1.00 0.00 H new ATOM 365 N ILE A 29 4.051 7.495 -2.594 1.00 0.00 N ATOM 366 CA ILE A 29 3.069 6.420 -2.546 1.00 0.00 C ATOM 367 C ILE A 29 3.699 5.082 -2.920 1.00 0.00 C ATOM 368 O ILE A 29 3.443 4.063 -2.279 1.00 0.00 O ATOM 369 CB ILE A 29 1.884 6.698 -3.490 1.00 0.00 C ATOM 370 CG1 ILE A 29 0.904 5.523 -3.473 1.00 0.00 C ATOM 371 CG2 ILE A 29 2.382 6.959 -4.903 1.00 0.00 C ATOM 372 CD1 ILE A 29 -0.025 5.528 -2.279 1.00 0.00 C ATOM 0 H ILE A 29 3.718 8.351 -3.038 1.00 0.00 H new ATOM 0 HA ILE A 29 2.703 6.372 -1.520 1.00 0.00 H new ATOM 0 HB ILE A 29 1.361 7.588 -3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.309 5.543 -4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.468 4.590 -3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.533 7.154 -5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.045 7.824 -4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.926 6.086 -5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.691 4.667 -2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.561 5.476 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.615 6.444 -2.281 1.00 0.00 H new ATOM 384 N ARG A 30 4.525 5.094 -3.961 1.00 0.00 N ATOM 385 CA ARG A 30 5.193 3.882 -4.420 1.00 0.00 C ATOM 386 C ARG A 30 6.088 3.307 -3.326 1.00 0.00 C ATOM 387 O ARG A 30 5.843 2.210 -2.823 1.00 0.00 O ATOM 388 CB ARG A 30 6.023 4.175 -5.671 1.00 0.00 C ATOM 389 CG ARG A 30 5.201 4.230 -6.949 1.00 0.00 C ATOM 390 CD ARG A 30 5.088 2.859 -7.597 1.00 0.00 C ATOM 391 NE ARG A 30 4.916 2.950 -9.044 1.00 0.00 N ATOM 392 CZ ARG A 30 4.343 2.003 -9.778 1.00 0.00 C ATOM 393 NH1 ARG A 30 3.889 0.898 -9.202 1.00 0.00 N ATOM 394 NH2 ARG A 30 4.223 2.159 -11.090 1.00 0.00 N ATOM 0 H ARG A 30 4.748 5.929 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 30 4.428 3.145 -4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.539 5.126 -5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.790 3.408 -5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.205 4.612 -6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.661 4.928 -7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.983 2.278 -7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.244 2.322 -7.165 1.00 0.00 H new ATOM 0 HE ARG A 30 5.255 3.787 -9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.980 0.774 -8.194 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.449 0.172 -9.767 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.571 3.007 -11.537 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.783 1.431 -11.652 1.00 0.00 H new ATOM 408 N ASP A 31 7.124 4.053 -2.963 1.00 0.00 N ATOM 409 CA ASP A 31 8.055 3.618 -1.929 1.00 0.00 C ATOM 410 C ASP A 31 7.313 2.953 -0.774 1.00 0.00 C ATOM 411 O ASP A 31 7.759 1.939 -0.237 1.00 0.00 O ATOM 412 CB ASP A 31 8.868 4.806 -1.411 1.00 0.00 C ATOM 413 CG ASP A 31 9.812 5.362 -2.460 1.00 0.00 C ATOM 414 OD1 ASP A 31 9.328 5.768 -3.537 1.00 0.00 O ATOM 415 OD2 ASP A 31 11.034 5.391 -2.203 1.00 0.00 O ATOM 0 H ASP A 31 7.341 4.963 -3.370 1.00 0.00 H new ATOM 0 HA ASP A 31 8.733 2.888 -2.371 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.188 5.593 -1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.442 4.497 -0.537 1.00 0.00 H new ATOM 420 N HIS A 32 6.177 3.531 -0.396 1.00 0.00 N ATOM 421 CA HIS A 32 5.372 2.995 0.695 1.00 0.00 C ATOM 422 C HIS A 32 4.818 1.619 0.337 1.00 0.00 C ATOM 423 O HIS A 32 5.235 0.606 0.898 1.00 0.00 O ATOM 424 CB HIS A 32 4.225 3.949 1.028 1.00 0.00 C ATOM 425 CG HIS A 32 3.288 3.420 2.070 1.00 0.00 C ATOM 426 ND1 HIS A 32 3.673 3.171 3.371 1.00 0.00 N ATOM 427 CD2 HIS A 32 1.977 3.093 1.999 1.00 0.00 C ATOM 428 CE1 HIS A 32 2.639 2.713 4.054 1.00 0.00 C ATOM 429 NE2 HIS A 32 1.597 2.656 3.244 1.00 0.00 N ATOM 0 H HIS A 32 5.793 4.371 -0.830 1.00 0.00 H new ATOM 0 HA HIS A 32 6.014 2.892 1.570 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.640 4.896 1.372 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.662 4.159 0.118 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.610 3.318 3.747 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.346 3.163 1.125 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.645 2.433 5.097 1.00 0.00 H new ATOM 437 N ILE A 33 3.876 1.592 -0.601 1.00 0.00 N ATOM 438 CA ILE A 33 3.266 0.341 -1.034 1.00 0.00 C ATOM 439 C ILE A 33 4.326 -0.713 -1.332 1.00 0.00 C ATOM 440 O ILE A 33 4.065 -1.913 -1.246 1.00 0.00 O ATOM 441 CB ILE A 33 2.394 0.545 -2.286 1.00 0.00 C ATOM 442 CG1 ILE A 33 3.256 0.995 -3.468 1.00 0.00 C ATOM 443 CG2 ILE A 33 1.296 1.560 -2.008 1.00 0.00 C ATOM 444 CD1 ILE A 33 2.490 1.106 -4.767 1.00 0.00 C ATOM 0 H ILE A 33 3.519 2.422 -1.075 1.00 0.00 H new ATOM 0 HA ILE A 33 2.636 -0.004 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 33 1.926 -0.406 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.702 1.962 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.076 0.289 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.688 1.693 -2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.668 1.202 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.744 2.514 -1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.164 1.429 -5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.067 0.135 -5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.686 1.834 -4.654 1.00 0.00 H new ATOM 456 N PHE A 34 5.524 -0.257 -1.682 1.00 0.00 N ATOM 457 CA PHE A 34 6.626 -1.161 -1.992 1.00 0.00 C ATOM 458 C PHE A 34 7.376 -1.560 -0.725 1.00 0.00 C ATOM 459 O PHE A 34 8.578 -1.821 -0.758 1.00 0.00 O ATOM 460 CB PHE A 34 7.589 -0.505 -2.983 1.00 0.00 C ATOM 461 CG PHE A 34 7.244 -0.770 -4.421 1.00 0.00 C ATOM 462 CD1 PHE A 34 6.357 0.052 -5.097 1.00 0.00 C ATOM 463 CD2 PHE A 34 7.806 -1.842 -5.095 1.00 0.00 C ATOM 464 CE1 PHE A 34 6.037 -0.190 -6.420 1.00 0.00 C ATOM 465 CE2 PHE A 34 7.490 -2.088 -6.418 1.00 0.00 C ATOM 466 CZ PHE A 34 6.604 -1.262 -7.081 1.00 0.00 C ATOM 0 H PHE A 34 5.757 0.733 -1.758 1.00 0.00 H new ATOM 0 HA PHE A 34 6.208 -2.061 -2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.596 0.571 -2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.599 -0.865 -2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.910 0.891 -4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.498 -2.492 -4.581 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.344 0.458 -6.936 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.936 -2.926 -6.933 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.355 -1.454 -8.114 1.00 0.00 H new ATOM 476 N SER A 35 6.657 -1.605 0.392 1.00 0.00 N ATOM 477 CA SER A 35 7.254 -1.967 1.672 1.00 0.00 C ATOM 478 C SER A 35 6.341 -2.911 2.450 1.00 0.00 C ATOM 479 O SER A 35 5.162 -2.624 2.655 1.00 0.00 O ATOM 480 CB SER A 35 7.534 -0.713 2.501 1.00 0.00 C ATOM 481 OG SER A 35 8.713 -0.062 2.060 1.00 0.00 O ATOM 0 H SER A 35 5.660 -1.395 0.436 1.00 0.00 H new ATOM 0 HA SER A 35 8.195 -2.480 1.474 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.688 -0.029 2.428 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.636 -0.983 3.552 1.00 0.00 H new ATOM 0 HG SER A 35 8.490 0.571 1.346 1.00 0.00 H new ATOM 487 N LYS A 36 6.896 -4.039 2.880 1.00 0.00 N ATOM 488 CA LYS A 36 6.135 -5.027 3.636 1.00 0.00 C ATOM 489 C LYS A 36 5.108 -4.349 4.537 1.00 0.00 C ATOM 490 O LYS A 36 3.929 -4.700 4.522 1.00 0.00 O ATOM 491 CB LYS A 36 7.077 -5.891 4.478 1.00 0.00 C ATOM 492 CG LYS A 36 6.533 -7.279 4.766 1.00 0.00 C ATOM 493 CD LYS A 36 7.028 -7.805 6.103 1.00 0.00 C ATOM 494 CE LYS A 36 6.079 -7.435 7.233 1.00 0.00 C ATOM 495 NZ LYS A 36 6.794 -7.280 8.530 1.00 0.00 N ATOM 0 H LYS A 36 7.871 -4.292 2.718 1.00 0.00 H new ATOM 0 HA LYS A 36 5.606 -5.663 2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.032 -5.984 3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.275 -5.384 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.443 -7.251 4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.835 -7.961 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.131 -8.889 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.018 -7.400 6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.567 -6.505 6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.313 -8.204 7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.113 -7.028 9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.262 -8.175 8.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.508 -6.528 8.445 1.00 0.00 H new ATOM 509 N GLN A 37 5.565 -3.376 5.319 1.00 0.00 N ATOM 510 CA GLN A 37 4.684 -2.649 6.226 1.00 0.00 C ATOM 511 C GLN A 37 3.313 -2.431 5.595 1.00 0.00 C ATOM 512 O GLN A 37 2.284 -2.729 6.202 1.00 0.00 O ATOM 513 CB GLN A 37 5.305 -1.302 6.603 1.00 0.00 C ATOM 514 CG GLN A 37 6.635 -1.428 7.328 1.00 0.00 C ATOM 515 CD GLN A 37 7.035 -0.150 8.038 1.00 0.00 C ATOM 516 OE1 GLN A 37 7.159 0.907 7.417 1.00 0.00 O ATOM 517 NE2 GLN A 37 7.240 -0.239 9.347 1.00 0.00 N ATOM 0 H GLN A 37 6.539 -3.073 5.343 1.00 0.00 H new ATOM 0 HA GLN A 37 4.558 -3.248 7.128 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.448 -0.711 5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.607 -0.753 7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.573 -2.239 8.054 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.411 -1.700 6.612 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.126 -1.135 9.821 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.511 0.588 9.878 1.00 0.00 H new ATOM 526 N HIS A 38 3.305 -1.908 4.372 1.00 0.00 N ATOM 527 CA HIS A 38 2.060 -1.650 3.659 1.00 0.00 C ATOM 528 C HIS A 38 1.363 -2.957 3.291 1.00 0.00 C ATOM 529 O HIS A 38 0.191 -3.158 3.611 1.00 0.00 O ATOM 530 CB HIS A 38 2.331 -0.831 2.396 1.00 0.00 C ATOM 531 CG HIS A 38 1.128 -0.666 1.520 1.00 0.00 C ATOM 532 ND1 HIS A 38 0.379 0.491 1.480 1.00 0.00 N ATOM 533 CD2 HIS A 38 0.545 -1.519 0.645 1.00 0.00 C ATOM 534 CE1 HIS A 38 -0.613 0.342 0.620 1.00 0.00 C ATOM 535 NE2 HIS A 38 -0.534 -0.869 0.100 1.00 0.00 N ATOM 0 H HIS A 38 4.147 -1.655 3.855 1.00 0.00 H new ATOM 0 HA HIS A 38 1.404 -1.082 4.319 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.699 0.154 2.684 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.124 -1.313 1.824 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.869 -2.524 0.418 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.361 1.084 0.383 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.172 -1.258 -0.594 1.00 0.00 H new ATOM 543 N ILE A 39 2.092 -3.842 2.619 1.00 0.00 N ATOM 544 CA ILE A 39 1.544 -5.129 2.209 1.00 0.00 C ATOM 545 C ILE A 39 0.723 -5.758 3.329 1.00 0.00 C ATOM 546 O ILE A 39 -0.450 -6.082 3.146 1.00 0.00 O ATOM 547 CB ILE A 39 2.658 -6.107 1.791 1.00 0.00 C ATOM 548 CG1 ILE A 39 3.272 -5.676 0.458 1.00 0.00 C ATOM 549 CG2 ILE A 39 2.109 -7.523 1.694 1.00 0.00 C ATOM 550 CD1 ILE A 39 4.448 -4.736 0.611 1.00 0.00 C ATOM 0 H ILE A 39 3.063 -3.691 2.347 1.00 0.00 H new ATOM 0 HA ILE A 39 0.898 -4.939 1.352 1.00 0.00 H new ATOM 0 HB ILE A 39 3.439 -6.091 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.594 -6.563 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.505 -5.191 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.907 -8.203 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.714 -7.827 2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.312 -7.554 0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.833 -4.472 -0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.127 -3.833 1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.232 -5.226 1.188 1.00 0.00 H new ATOM 562 N SER A 40 1.348 -5.928 4.490 1.00 0.00 N ATOM 563 CA SER A 40 0.676 -6.520 5.641 1.00 0.00 C ATOM 564 C SER A 40 -0.742 -5.976 5.781 1.00 0.00 C ATOM 565 O SER A 40 -1.682 -6.723 6.057 1.00 0.00 O ATOM 566 CB SER A 40 1.469 -6.244 6.919 1.00 0.00 C ATOM 567 OG SER A 40 1.157 -7.190 7.928 1.00 0.00 O ATOM 0 H SER A 40 2.319 -5.664 4.658 1.00 0.00 H new ATOM 0 HA SER A 40 0.619 -7.597 5.483 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.537 -6.278 6.702 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.248 -5.239 7.278 1.00 0.00 H new ATOM 0 HG SER A 40 1.678 -6.993 8.734 1.00 0.00 H new ATOM 573 N LYS A 41 -0.890 -4.670 5.589 1.00 0.00 N ATOM 574 CA LYS A 41 -2.193 -4.023 5.692 1.00 0.00 C ATOM 575 C LYS A 41 -3.094 -4.427 4.530 1.00 0.00 C ATOM 576 O LYS A 41 -4.307 -4.559 4.689 1.00 0.00 O ATOM 577 CB LYS A 41 -2.029 -2.502 5.721 1.00 0.00 C ATOM 578 CG LYS A 41 -3.153 -1.783 6.446 1.00 0.00 C ATOM 579 CD LYS A 41 -3.075 -1.997 7.948 1.00 0.00 C ATOM 580 CE LYS A 41 -4.343 -1.528 8.645 1.00 0.00 C ATOM 581 NZ LYS A 41 -5.521 -2.360 8.271 1.00 0.00 N ATOM 0 H LYS A 41 -0.123 -4.038 5.361 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.661 -4.349 6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.082 -2.256 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.973 -2.131 4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.105 -0.716 6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.114 -2.141 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.913 -3.054 8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.217 -1.457 8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.199 -1.566 9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.536 -0.487 8.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.273 -2.235 8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.872 -2.065 7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.242 -3.361 8.236 1.00 0.00 H new ATOM 595 N VAL A 42 -2.492 -4.622 3.361 1.00 0.00 N ATOM 596 CA VAL A 42 -3.241 -5.013 2.172 1.00 0.00 C ATOM 597 C VAL A 42 -3.788 -6.429 2.308 1.00 0.00 C ATOM 598 O VAL A 42 -4.843 -6.753 1.763 1.00 0.00 O ATOM 599 CB VAL A 42 -2.366 -4.931 0.906 1.00 0.00 C ATOM 600 CG1 VAL A 42 -3.152 -5.384 -0.315 1.00 0.00 C ATOM 601 CG2 VAL A 42 -1.835 -3.518 0.716 1.00 0.00 C ATOM 0 H VAL A 42 -1.489 -4.516 3.212 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.072 -4.314 2.077 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.514 -5.600 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.519 -5.320 -1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.478 -6.415 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.024 -4.743 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.219 -3.478 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.671 -2.826 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.234 -3.236 1.580 1.00 0.00 H new ATOM 611 N ARG A 43 -3.063 -7.270 3.039 1.00 0.00 N ATOM 612 CA ARG A 43 -3.476 -8.652 3.247 1.00 0.00 C ATOM 613 C ARG A 43 -4.526 -8.747 4.350 1.00 0.00 C ATOM 614 O ARG A 43 -5.520 -9.459 4.213 1.00 0.00 O ATOM 615 CB ARG A 43 -2.267 -9.519 3.604 1.00 0.00 C ATOM 616 CG ARG A 43 -1.174 -9.504 2.548 1.00 0.00 C ATOM 617 CD ARG A 43 -1.407 -10.571 1.489 1.00 0.00 C ATOM 618 NE ARG A 43 -1.173 -11.916 2.007 1.00 0.00 N ATOM 619 CZ ARG A 43 -0.889 -12.961 1.238 1.00 0.00 C ATOM 620 NH1 ARG A 43 -0.803 -12.816 -0.077 1.00 0.00 N ATOM 621 NH2 ARG A 43 -0.690 -14.154 1.784 1.00 0.00 N ATOM 0 H ARG A 43 -2.187 -7.018 3.497 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.916 -9.016 2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.851 -9.175 4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.599 -10.546 3.756 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.137 -8.523 2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.206 -9.666 3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.430 -10.498 1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.748 -10.390 0.640 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.231 -12.061 3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.955 -11.900 -0.500 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.585 -13.620 -0.666 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.755 -14.269 2.795 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.472 -14.956 1.192 1.00 0.00 H new ATOM 635 N GLU A 44 -4.297 -8.024 5.442 1.00 0.00 N ATOM 636 CA GLU A 44 -5.223 -8.028 6.568 1.00 0.00 C ATOM 637 C GLU A 44 -6.512 -7.292 6.215 1.00 0.00 C ATOM 638 O GLU A 44 -7.610 -7.826 6.373 1.00 0.00 O ATOM 639 CB GLU A 44 -4.573 -7.382 7.793 1.00 0.00 C ATOM 640 CG GLU A 44 -3.473 -8.226 8.414 1.00 0.00 C ATOM 641 CD GLU A 44 -4.013 -9.311 9.326 1.00 0.00 C ATOM 642 OE1 GLU A 44 -5.087 -9.868 9.012 1.00 0.00 O ATOM 643 OE2 GLU A 44 -3.364 -9.603 10.351 1.00 0.00 O ATOM 0 H GLU A 44 -3.479 -7.429 5.570 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.469 -9.064 6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.160 -6.415 7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.341 -7.191 8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.881 -8.684 7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.802 -7.581 8.981 1.00 0.00 H new ATOM 650 N THR A 45 -6.371 -6.059 5.736 1.00 0.00 N ATOM 651 CA THR A 45 -7.522 -5.248 5.362 1.00 0.00 C ATOM 652 C THR A 45 -8.633 -6.109 4.771 1.00 0.00 C ATOM 653 O THR A 45 -9.816 -5.865 5.011 1.00 0.00 O ATOM 654 CB THR A 45 -7.135 -4.159 4.344 1.00 0.00 C ATOM 655 OG1 THR A 45 -8.231 -3.258 4.150 1.00 0.00 O ATOM 656 CG2 THR A 45 -6.741 -4.779 3.012 1.00 0.00 C ATOM 0 H THR A 45 -5.470 -5.601 5.598 1.00 0.00 H new ATOM 0 HA THR A 45 -7.882 -4.771 6.274 1.00 0.00 H new ATOM 0 HB THR A 45 -6.280 -3.611 4.739 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.976 -2.568 3.503 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.472 -3.991 2.309 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.888 -5.442 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.580 -5.349 2.614 1.00 0.00 H new ATOM 664 N VAL A 46 -8.245 -7.118 3.998 1.00 0.00 N ATOM 665 CA VAL A 46 -9.209 -8.017 3.374 1.00 0.00 C ATOM 666 C VAL A 46 -9.030 -9.446 3.873 1.00 0.00 C ATOM 667 O VAL A 46 -8.008 -10.081 3.618 1.00 0.00 O ATOM 668 CB VAL A 46 -9.078 -8.001 1.839 1.00 0.00 C ATOM 669 CG1 VAL A 46 -7.652 -8.325 1.421 1.00 0.00 C ATOM 670 CG2 VAL A 46 -10.062 -8.978 1.212 1.00 0.00 C ATOM 0 H VAL A 46 -7.270 -7.334 3.789 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.201 -7.660 3.651 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.316 -6.999 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.579 -8.309 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.972 -7.584 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.381 -9.315 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.957 -8.955 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.856 -9.985 1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.079 -8.695 1.484 1.00 0.00 H new ATOM 680 N GLY A 47 -10.033 -9.947 4.588 1.00 0.00 N ATOM 681 CA GLY A 47 -9.968 -11.299 5.112 1.00 0.00 C ATOM 682 C GLY A 47 -9.364 -12.276 4.123 1.00 0.00 C ATOM 683 O GLY A 47 -9.448 -12.075 2.912 1.00 0.00 O ATOM 0 H GLY A 47 -10.889 -9.441 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.377 -11.302 6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.972 -11.631 5.379 1.00 0.00 H new ATOM 687 N SER A 48 -8.752 -13.337 4.640 1.00 0.00 N ATOM 688 CA SER A 48 -8.127 -14.346 3.794 1.00 0.00 C ATOM 689 C SER A 48 -8.566 -15.748 4.205 1.00 0.00 C ATOM 690 O SER A 48 -9.343 -15.915 5.145 1.00 0.00 O ATOM 691 CB SER A 48 -6.603 -14.233 3.871 1.00 0.00 C ATOM 692 OG SER A 48 -6.159 -12.978 3.387 1.00 0.00 O ATOM 0 H SER A 48 -8.676 -13.520 5.641 1.00 0.00 H new ATOM 0 HA SER A 48 -8.446 -14.171 2.766 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.277 -14.364 4.903 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.146 -15.033 3.289 1.00 0.00 H new ATOM 0 HG SER A 48 -5.182 -12.931 3.449 1.00 0.00 H new ATOM 698 N GLN A 49 -8.063 -16.751 3.493 1.00 0.00 N ATOM 699 CA GLN A 49 -8.404 -18.139 3.783 1.00 0.00 C ATOM 700 C GLN A 49 -8.593 -18.351 5.282 1.00 0.00 C ATOM 701 O GLN A 49 -7.623 -18.488 6.028 1.00 0.00 O ATOM 702 CB GLN A 49 -7.314 -19.075 3.258 1.00 0.00 C ATOM 703 CG GLN A 49 -7.136 -19.015 1.749 1.00 0.00 C ATOM 704 CD GLN A 49 -5.974 -19.859 1.265 1.00 0.00 C ATOM 705 OE1 GLN A 49 -4.818 -19.439 1.325 1.00 0.00 O ATOM 706 NE2 GLN A 49 -6.275 -21.059 0.780 1.00 0.00 N ATOM 0 H GLN A 49 -7.419 -16.629 2.712 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.343 -18.368 3.280 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.368 -18.823 3.737 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.555 -20.098 3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.052 -19.353 1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.979 -17.980 1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.247 -21.367 0.749 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.534 -21.672 0.439 1.00 0.00 H new ATOM 715 N LEU A 50 -9.849 -18.377 5.716 1.00 0.00 N ATOM 716 CA LEU A 50 -10.166 -18.573 7.126 1.00 0.00 C ATOM 717 C LEU A 50 -10.390 -20.050 7.435 1.00 0.00 C ATOM 718 O LEU A 50 -10.380 -20.890 6.535 1.00 0.00 O ATOM 719 CB LEU A 50 -11.410 -17.766 7.506 1.00 0.00 C ATOM 720 CG LEU A 50 -12.750 -18.483 7.342 1.00 0.00 C ATOM 721 CD1 LEU A 50 -13.857 -17.714 8.047 1.00 0.00 C ATOM 722 CD2 LEU A 50 -13.081 -18.666 5.868 1.00 0.00 C ATOM 0 H LEU A 50 -10.663 -18.265 5.112 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.318 -18.223 7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.312 -17.454 8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.429 -16.859 6.901 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.671 -19.468 7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -14.803 -18.240 7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.626 -17.636 9.109 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.936 -16.715 7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.038 -19.178 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.141 -17.691 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.302 -19.260 5.391 1.00 0.00 H new ATOM 734 N ASP A 51 -10.594 -20.358 8.711 1.00 0.00 N ATOM 735 CA ASP A 51 -10.825 -21.733 9.138 1.00 0.00 C ATOM 736 C ASP A 51 -12.285 -21.944 9.525 1.00 0.00 C ATOM 737 O ASP A 51 -13.076 -21.001 9.542 1.00 0.00 O ATOM 738 CB ASP A 51 -9.915 -22.083 10.317 1.00 0.00 C ATOM 739 CG ASP A 51 -9.614 -23.566 10.396 1.00 0.00 C ATOM 740 OD1 ASP A 51 -8.997 -24.097 9.449 1.00 0.00 O ATOM 741 OD2 ASP A 51 -9.996 -24.197 11.404 1.00 0.00 O ATOM 0 H ASP A 51 -10.604 -19.674 9.468 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.592 -22.392 8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.980 -21.530 10.227 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.388 -21.761 11.245 1.00 0.00 H new ATOM 746 N ARG A 52 -12.635 -23.188 9.835 1.00 0.00 N ATOM 747 CA ARG A 52 -14.001 -23.524 10.220 1.00 0.00 C ATOM 748 C ARG A 52 -14.558 -22.495 11.200 1.00 0.00 C ATOM 749 O ARG A 52 -15.730 -22.127 11.127 1.00 0.00 O ATOM 750 CB ARG A 52 -14.049 -24.919 10.847 1.00 0.00 C ATOM 751 CG ARG A 52 -13.333 -25.010 12.185 1.00 0.00 C ATOM 752 CD ARG A 52 -14.276 -24.718 13.342 1.00 0.00 C ATOM 753 NE ARG A 52 -15.225 -25.805 13.562 1.00 0.00 N ATOM 754 CZ ARG A 52 -16.325 -25.683 14.297 1.00 0.00 C ATOM 755 NH1 ARG A 52 -16.612 -24.527 14.880 1.00 0.00 N ATOM 756 NH2 ARG A 52 -17.140 -26.718 14.451 1.00 0.00 N ATOM 0 H ARG A 52 -11.992 -23.980 9.827 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.617 -23.516 9.321 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.090 -25.212 10.981 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.603 -25.634 10.156 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.907 -26.006 12.304 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.503 -24.304 12.204 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.696 -24.554 14.250 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.821 -23.796 13.141 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.033 -26.708 13.128 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.988 -23.729 14.765 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.457 -24.436 15.444 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.923 -27.609 14.005 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.984 -26.623 15.016 1.00 0.00 H new ATOM 770 N GLU A 53 -13.709 -22.036 12.115 1.00 0.00 N ATOM 771 CA GLU A 53 -14.118 -21.051 13.109 1.00 0.00 C ATOM 772 C GLU A 53 -15.087 -20.039 12.505 1.00 0.00 C ATOM 773 O GLU A 53 -14.981 -19.684 11.331 1.00 0.00 O ATOM 774 CB GLU A 53 -12.895 -20.328 13.676 1.00 0.00 C ATOM 775 CG GLU A 53 -13.082 -19.841 15.103 1.00 0.00 C ATOM 776 CD GLU A 53 -11.777 -19.766 15.870 1.00 0.00 C ATOM 777 OE1 GLU A 53 -11.220 -20.834 16.200 1.00 0.00 O ATOM 778 OE2 GLU A 53 -11.311 -18.639 16.140 1.00 0.00 O ATOM 0 H GLU A 53 -12.735 -22.330 12.188 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.626 -21.577 13.917 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.037 -21.000 13.640 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.659 -19.476 13.038 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.547 -18.856 15.088 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.767 -20.510 15.624 1.00 0.00 H new ATOM 785 N LYS A 54 -16.033 -19.578 13.317 1.00 0.00 N ATOM 786 CA LYS A 54 -17.022 -18.606 12.865 1.00 0.00 C ATOM 787 C LYS A 54 -17.270 -17.546 13.934 1.00 0.00 C ATOM 788 O LYS A 54 -17.288 -17.846 15.127 1.00 0.00 O ATOM 789 CB LYS A 54 -18.336 -19.309 12.516 1.00 0.00 C ATOM 790 CG LYS A 54 -18.217 -20.273 11.348 1.00 0.00 C ATOM 791 CD LYS A 54 -19.582 -20.652 10.797 1.00 0.00 C ATOM 792 CE LYS A 54 -20.241 -21.735 11.636 1.00 0.00 C ATOM 793 NZ LYS A 54 -21.060 -21.161 12.739 1.00 0.00 N ATOM 0 H LYS A 54 -16.136 -19.862 14.291 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.631 -18.115 11.974 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.691 -19.853 13.391 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -19.090 -18.557 12.281 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.619 -19.818 10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.691 -21.172 11.669 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -20.222 -19.770 10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -19.477 -21.000 9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -20.873 -22.354 10.999 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.474 -22.387 12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -20.807 -21.623 13.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -20.877 -20.140 12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -22.069 -21.319 12.541 1.00 0.00 H new ATOM 807 N ASP A 55 -17.461 -16.306 13.497 1.00 0.00 N ATOM 808 CA ASP A 55 -17.710 -15.201 14.416 1.00 0.00 C ATOM 809 C ASP A 55 -19.152 -14.716 14.304 1.00 0.00 C ATOM 810 O ASP A 55 -19.947 -15.271 13.546 1.00 0.00 O ATOM 811 CB ASP A 55 -16.747 -14.047 14.133 1.00 0.00 C ATOM 812 CG ASP A 55 -16.545 -13.813 12.648 1.00 0.00 C ATOM 813 OD1 ASP A 55 -17.498 -14.048 11.875 1.00 0.00 O ATOM 814 OD2 ASP A 55 -15.436 -13.392 12.260 1.00 0.00 O ATOM 0 H ASP A 55 -17.448 -16.041 12.512 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.544 -15.561 15.431 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.131 -13.136 14.593 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.784 -14.258 14.599 1.00 0.00 H new TER 819 ASP A 55 HETATM 820 ZN ZN A 201 -0.145 1.824 2.974 1.00 0.00 ZN