USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=18 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+ -132:sc= 0.0115 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.145 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 49:sc= 0.447 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -24:sc= 0.355 USER MOD Single : A 22 LYS NZ :NH3+ -149:sc= -0.0339 (180deg=-1) USER MOD Single : A 23 TYR OH : rot -5:sc= -2.06 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 83:sc= 0.465 USER MOD Single : A 36 LYS NZ :NH3+ -134:sc= -0.963 (180deg=-3.12!) USER MOD Single : A 37 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.99) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.593 X(o=-0.59,f=-0.24) USER MOD Single : A 54 LYS NZ :NH3+ -119:sc= 0.137 (180deg=-0.412) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.324 43.016 10.555 1.00 0.00 N ATOM 2 CA GLY A 1 -25.209 42.421 11.268 1.00 0.00 C ATOM 3 C GLY A 1 -24.065 42.048 10.346 1.00 0.00 C ATOM 4 O GLY A 1 -23.770 42.765 9.390 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.626 43.883 11.044 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.031 43.250 9.585 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.116 42.342 10.524 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.850 43.120 12.023 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.552 41.531 11.795 1.00 0.00 H new ATOM 8 N SER A 2 -23.417 40.924 10.635 1.00 0.00 N ATOM 9 CA SER A 2 -22.294 40.460 9.828 1.00 0.00 C ATOM 10 C SER A 2 -22.162 38.942 9.903 1.00 0.00 C ATOM 11 O SER A 2 -22.543 38.323 10.896 1.00 0.00 O ATOM 12 CB SER A 2 -20.996 41.120 10.295 1.00 0.00 C ATOM 13 OG SER A 2 -19.920 40.798 9.430 1.00 0.00 O ATOM 0 H SER A 2 -23.650 40.318 11.422 1.00 0.00 H new ATOM 0 HA SER A 2 -22.483 40.740 8.792 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.127 42.202 10.331 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.762 40.793 11.308 1.00 0.00 H new ATOM 0 HG SER A 2 -19.102 41.233 9.749 1.00 0.00 H new ATOM 19 N SER A 3 -21.620 38.349 8.844 1.00 0.00 N ATOM 20 CA SER A 3 -21.440 36.903 8.787 1.00 0.00 C ATOM 21 C SER A 3 -20.660 36.501 7.538 1.00 0.00 C ATOM 22 O SER A 3 -20.452 37.311 6.636 1.00 0.00 O ATOM 23 CB SER A 3 -22.798 36.198 8.803 1.00 0.00 C ATOM 24 OG SER A 3 -22.641 34.792 8.890 1.00 0.00 O ATOM 0 H SER A 3 -21.298 38.847 8.014 1.00 0.00 H new ATOM 0 HA SER A 3 -20.870 36.598 9.664 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.387 36.554 9.648 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.353 36.450 7.899 1.00 0.00 H new ATOM 0 HG SER A 3 -23.523 34.364 8.900 1.00 0.00 H new ATOM 30 N GLY A 4 -20.232 35.243 7.495 1.00 0.00 N ATOM 31 CA GLY A 4 -19.480 34.755 6.354 1.00 0.00 C ATOM 32 C GLY A 4 -19.638 33.261 6.152 1.00 0.00 C ATOM 33 O GLY A 4 -20.547 32.645 6.708 1.00 0.00 O ATOM 0 H GLY A 4 -20.393 34.554 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.809 35.277 5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.425 34.991 6.491 1.00 0.00 H new ATOM 37 N SER A 5 -18.751 32.676 5.353 1.00 0.00 N ATOM 38 CA SER A 5 -18.800 31.246 5.074 1.00 0.00 C ATOM 39 C SER A 5 -17.466 30.582 5.406 1.00 0.00 C ATOM 40 O SER A 5 -16.402 31.095 5.060 1.00 0.00 O ATOM 41 CB SER A 5 -19.152 31.003 3.605 1.00 0.00 C ATOM 42 OG SER A 5 -20.401 31.584 3.277 1.00 0.00 O ATOM 0 H SER A 5 -17.990 33.171 4.888 1.00 0.00 H new ATOM 0 HA SER A 5 -19.573 30.804 5.703 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.374 31.422 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.183 29.931 3.408 1.00 0.00 H new ATOM 0 HG SER A 5 -20.602 31.416 2.333 1.00 0.00 H new ATOM 48 N SER A 6 -17.534 29.438 6.079 1.00 0.00 N ATOM 49 CA SER A 6 -16.333 28.704 6.461 1.00 0.00 C ATOM 50 C SER A 6 -16.149 27.469 5.586 1.00 0.00 C ATOM 51 O SER A 6 -16.953 26.539 5.628 1.00 0.00 O ATOM 52 CB SER A 6 -16.408 28.294 7.933 1.00 0.00 C ATOM 53 OG SER A 6 -16.144 29.396 8.784 1.00 0.00 O ATOM 0 H SER A 6 -18.407 28.999 6.371 1.00 0.00 H new ATOM 0 HA SER A 6 -15.475 29.360 6.317 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.397 27.891 8.151 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.689 27.499 8.129 1.00 0.00 H new ATOM 0 HG SER A 6 -16.200 29.108 9.719 1.00 0.00 H new ATOM 59 N GLY A 7 -15.082 27.467 4.792 1.00 0.00 N ATOM 60 CA GLY A 7 -14.811 26.342 3.917 1.00 0.00 C ATOM 61 C GLY A 7 -13.520 26.510 3.139 1.00 0.00 C ATOM 62 O GLY A 7 -12.710 27.382 3.449 1.00 0.00 O ATOM 0 H GLY A 7 -14.401 28.225 4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.758 25.429 4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.639 26.221 3.219 1.00 0.00 H new ATOM 66 N GLY A 8 -13.329 25.672 2.125 1.00 0.00 N ATOM 67 CA GLY A 8 -12.125 25.748 1.317 1.00 0.00 C ATOM 68 C GLY A 8 -11.971 24.556 0.393 1.00 0.00 C ATOM 69 O GLY A 8 -12.900 23.764 0.227 1.00 0.00 O ATOM 0 H GLY A 8 -13.986 24.942 1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.146 26.663 0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.255 25.812 1.971 1.00 0.00 H new ATOM 73 N THR A 9 -10.795 24.427 -0.213 1.00 0.00 N ATOM 74 CA THR A 9 -10.523 23.326 -1.127 1.00 0.00 C ATOM 75 C THR A 9 -9.836 22.170 -0.408 1.00 0.00 C ATOM 76 O THR A 9 -9.053 22.381 0.519 1.00 0.00 O ATOM 77 CB THR A 9 -9.640 23.778 -2.306 1.00 0.00 C ATOM 78 OG1 THR A 9 -9.542 22.730 -3.276 1.00 0.00 O ATOM 79 CG2 THR A 9 -8.249 24.162 -1.824 1.00 0.00 C ATOM 0 H THR A 9 -10.015 25.072 -0.087 1.00 0.00 H new ATOM 0 HA THR A 9 -11.486 22.991 -1.511 1.00 0.00 H new ATOM 0 HB THR A 9 -10.103 24.652 -2.763 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.981 23.027 -4.022 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.644 24.478 -2.674 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.325 24.981 -1.109 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.780 23.303 -1.344 1.00 0.00 H new ATOM 87 N ASP A 10 -10.134 20.950 -0.840 1.00 0.00 N ATOM 88 CA ASP A 10 -9.543 19.760 -0.238 1.00 0.00 C ATOM 89 C ASP A 10 -8.192 19.445 -0.871 1.00 0.00 C ATOM 90 O ASP A 10 -8.111 19.105 -2.051 1.00 0.00 O ATOM 91 CB ASP A 10 -10.484 18.564 -0.392 1.00 0.00 C ATOM 92 CG ASP A 10 -9.812 17.250 -0.045 1.00 0.00 C ATOM 93 OD1 ASP A 10 -9.655 16.964 1.160 1.00 0.00 O ATOM 94 OD2 ASP A 10 -9.443 16.509 -0.979 1.00 0.00 O ATOM 0 H ASP A 10 -10.781 20.759 -1.605 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.389 19.957 0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.354 18.705 0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.849 18.522 -1.418 1.00 0.00 H new ATOM 99 N GLY A 11 -7.131 19.561 -0.078 1.00 0.00 N ATOM 100 CA GLY A 11 -5.797 19.286 -0.579 1.00 0.00 C ATOM 101 C GLY A 11 -5.462 17.808 -0.556 1.00 0.00 C ATOM 102 O GLY A 11 -5.850 17.089 0.366 1.00 0.00 O ATOM 0 H GLY A 11 -7.172 19.840 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.712 19.659 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.068 19.830 0.021 1.00 0.00 H new ATOM 106 N THR A 12 -4.741 17.350 -1.574 1.00 0.00 N ATOM 107 CA THR A 12 -4.357 15.947 -1.669 1.00 0.00 C ATOM 108 C THR A 12 -2.959 15.720 -1.105 1.00 0.00 C ATOM 109 O THR A 12 -1.962 15.856 -1.814 1.00 0.00 O ATOM 110 CB THR A 12 -4.396 15.451 -3.127 1.00 0.00 C ATOM 111 OG1 THR A 12 -3.643 16.335 -3.965 1.00 0.00 O ATOM 112 CG2 THR A 12 -5.829 15.364 -3.631 1.00 0.00 C ATOM 0 H THR A 12 -4.411 17.931 -2.345 1.00 0.00 H new ATOM 0 HA THR A 12 -5.080 15.381 -1.081 1.00 0.00 H new ATOM 0 HB THR A 12 -3.955 14.455 -3.161 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.767 16.503 -3.559 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.831 15.012 -4.662 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.392 14.668 -3.009 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.292 16.350 -3.583 1.00 0.00 H new ATOM 120 N LYS A 13 -2.893 15.373 0.176 1.00 0.00 N ATOM 121 CA LYS A 13 -1.617 15.125 0.837 1.00 0.00 C ATOM 122 C LYS A 13 -1.209 13.661 0.700 1.00 0.00 C ATOM 123 O LYS A 13 -2.033 12.751 0.787 1.00 0.00 O ATOM 124 CB LYS A 13 -1.703 15.505 2.317 1.00 0.00 C ATOM 125 CG LYS A 13 -0.400 15.309 3.072 1.00 0.00 C ATOM 126 CD LYS A 13 -0.611 15.377 4.575 1.00 0.00 C ATOM 127 CE LYS A 13 -0.883 16.801 5.036 1.00 0.00 C ATOM 128 NZ LYS A 13 0.374 17.528 5.364 1.00 0.00 N ATOM 0 H LYS A 13 -3.709 15.257 0.777 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.860 15.742 0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.007 16.549 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.482 14.908 2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.033 14.344 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.316 16.073 2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.447 14.737 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.271 14.991 5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.420 17.339 4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.530 16.781 5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.146 18.494 5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.875 17.029 6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.981 17.569 4.521 1.00 0.00 H new ATOM 142 N PRO A 14 0.094 13.427 0.481 1.00 0.00 N ATOM 143 CA PRO A 14 0.641 12.075 0.330 1.00 0.00 C ATOM 144 C PRO A 14 0.618 11.291 1.638 1.00 0.00 C ATOM 145 O PRO A 14 1.555 11.367 2.432 1.00 0.00 O ATOM 146 CB PRO A 14 2.083 12.324 -0.120 1.00 0.00 C ATOM 147 CG PRO A 14 2.415 13.678 0.406 1.00 0.00 C ATOM 148 CD PRO A 14 1.133 14.464 0.366 1.00 0.00 C ATOM 0 HA PRO A 14 0.059 11.476 -0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.759 11.568 0.279 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.171 12.289 -1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.804 13.617 1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.184 14.155 -0.202 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.076 15.182 1.184 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.036 15.029 -0.561 1.00 0.00 H new ATOM 156 N GLU A 15 -0.456 10.539 1.853 1.00 0.00 N ATOM 157 CA GLU A 15 -0.599 9.742 3.066 1.00 0.00 C ATOM 158 C GLU A 15 -1.269 8.405 2.762 1.00 0.00 C ATOM 159 O GLU A 15 -1.703 8.156 1.636 1.00 0.00 O ATOM 160 CB GLU A 15 -1.412 10.506 4.113 1.00 0.00 C ATOM 161 CG GLU A 15 -2.913 10.438 3.886 1.00 0.00 C ATOM 162 CD GLU A 15 -3.638 11.663 4.409 1.00 0.00 C ATOM 163 OE1 GLU A 15 -3.782 11.784 5.644 1.00 0.00 O ATOM 164 OE2 GLU A 15 -4.061 12.500 3.585 1.00 0.00 O ATOM 0 H GLU A 15 -1.239 10.465 1.204 1.00 0.00 H new ATOM 0 HA GLU A 15 0.398 9.548 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.184 10.106 5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.100 11.550 4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.111 10.331 2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.311 9.549 4.375 1.00 0.00 H new ATOM 171 N CYS A 16 -1.350 7.547 3.773 1.00 0.00 N ATOM 172 CA CYS A 16 -1.966 6.235 3.616 1.00 0.00 C ATOM 173 C CYS A 16 -3.056 6.017 4.662 1.00 0.00 C ATOM 174 O CYS A 16 -2.805 5.461 5.732 1.00 0.00 O ATOM 175 CB CYS A 16 -0.909 5.135 3.730 1.00 0.00 C ATOM 176 SG CYS A 16 -1.288 3.637 2.766 1.00 0.00 S ATOM 0 H CYS A 16 -0.996 7.737 4.711 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.421 6.192 2.627 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.051 5.533 3.401 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.797 4.861 4.779 1.00 0.00 H new ATOM 181 N THR A 17 -4.270 6.459 4.344 1.00 0.00 N ATOM 182 CA THR A 17 -5.398 6.314 5.255 1.00 0.00 C ATOM 183 C THR A 17 -5.634 4.850 5.610 1.00 0.00 C ATOM 184 O THR A 17 -6.377 4.538 6.541 1.00 0.00 O ATOM 185 CB THR A 17 -6.688 6.897 4.648 1.00 0.00 C ATOM 186 OG1 THR A 17 -7.774 6.746 5.569 1.00 0.00 O ATOM 187 CG2 THR A 17 -7.029 6.207 3.336 1.00 0.00 C ATOM 0 H THR A 17 -4.496 6.920 3.463 1.00 0.00 H new ATOM 0 HA THR A 17 -5.147 6.868 6.159 1.00 0.00 H new ATOM 0 HB THR A 17 -6.524 7.956 4.451 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.587 5.999 6.176 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.944 6.636 2.926 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.213 6.349 2.627 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.175 5.141 3.513 1.00 0.00 H new ATOM 195 N LEU A 18 -4.996 3.955 4.863 1.00 0.00 N ATOM 196 CA LEU A 18 -5.136 2.522 5.099 1.00 0.00 C ATOM 197 C LEU A 18 -4.185 2.056 6.196 1.00 0.00 C ATOM 198 O LEU A 18 -4.583 1.340 7.115 1.00 0.00 O ATOM 199 CB LEU A 18 -4.866 1.744 3.810 1.00 0.00 C ATOM 200 CG LEU A 18 -4.565 0.254 3.976 1.00 0.00 C ATOM 201 CD1 LEU A 18 -5.808 -0.494 4.432 1.00 0.00 C ATOM 202 CD2 LEU A 18 -4.036 -0.331 2.675 1.00 0.00 C ATOM 0 H LEU A 18 -4.377 4.196 4.089 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.159 2.330 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.733 1.849 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.024 2.210 3.298 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.797 0.141 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.575 -1.553 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.144 -0.093 5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.598 -0.374 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.827 -1.392 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.782 -0.206 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.119 0.185 2.390 1.00 0.00 H new ATOM 214 N CYS A 19 -2.926 2.469 6.096 1.00 0.00 N ATOM 215 CA CYS A 19 -1.917 2.096 7.080 1.00 0.00 C ATOM 216 C CYS A 19 -1.648 3.247 8.045 1.00 0.00 C ATOM 217 O CYS A 19 -0.767 3.160 8.900 1.00 0.00 O ATOM 218 CB CYS A 19 -0.619 1.688 6.381 1.00 0.00 C ATOM 219 SG CYS A 19 -0.867 0.755 4.836 1.00 0.00 S ATOM 0 H CYS A 19 -2.580 3.063 5.342 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.297 1.248 7.650 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.040 2.585 6.162 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.024 1.084 7.066 1.00 0.00 H new ATOM 224 N GLY A 20 -2.413 4.324 7.902 1.00 0.00 N ATOM 225 CA GLY A 20 -2.242 5.477 8.768 1.00 0.00 C ATOM 226 C GLY A 20 -0.836 6.040 8.712 1.00 0.00 C ATOM 227 O GLY A 20 -0.380 6.685 9.656 1.00 0.00 O ATOM 0 H GLY A 20 -3.149 4.420 7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.952 6.252 8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.477 5.195 9.794 1.00 0.00 H new ATOM 231 N VAL A 21 -0.145 5.794 7.604 1.00 0.00 N ATOM 232 CA VAL A 21 1.218 6.280 7.429 1.00 0.00 C ATOM 233 C VAL A 21 1.258 7.475 6.483 1.00 0.00 C ATOM 234 O VAL A 21 1.064 7.333 5.276 1.00 0.00 O ATOM 235 CB VAL A 21 2.143 5.176 6.883 1.00 0.00 C ATOM 236 CG1 VAL A 21 3.549 5.715 6.667 1.00 0.00 C ATOM 237 CG2 VAL A 21 2.160 3.982 7.825 1.00 0.00 C ATOM 0 H VAL A 21 -0.507 5.261 6.814 1.00 0.00 H new ATOM 0 HA VAL A 21 1.573 6.587 8.413 1.00 0.00 H new ATOM 0 HB VAL A 21 1.755 4.845 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.188 4.921 6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.518 6.536 5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.950 6.075 7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.818 3.211 7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.523 4.296 8.804 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.151 3.582 7.923 1.00 0.00 H new ATOM 247 N LYS A 22 1.513 8.655 7.040 1.00 0.00 N ATOM 248 CA LYS A 22 1.581 9.877 6.247 1.00 0.00 C ATOM 249 C LYS A 22 2.962 10.044 5.623 1.00 0.00 C ATOM 250 O LYS A 22 3.924 10.397 6.306 1.00 0.00 O ATOM 251 CB LYS A 22 1.251 11.092 7.116 1.00 0.00 C ATOM 252 CG LYS A 22 0.726 12.279 6.328 1.00 0.00 C ATOM 253 CD LYS A 22 0.412 13.457 7.236 1.00 0.00 C ATOM 254 CE LYS A 22 1.631 14.342 7.443 1.00 0.00 C ATOM 255 NZ LYS A 22 2.471 13.872 8.579 1.00 0.00 N ATOM 0 H LYS A 22 1.676 8.790 8.038 1.00 0.00 H new ATOM 0 HA LYS A 22 0.847 9.802 5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.509 10.804 7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.147 11.394 7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.465 12.578 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.173 11.987 5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.397 14.046 6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.059 13.091 8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.228 14.356 6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.309 15.366 7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.937 14.687 9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.871 13.390 9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.192 13.211 8.227 1.00 0.00 H new ATOM 269 N TYR A 23 3.054 9.790 4.322 1.00 0.00 N ATOM 270 CA TYR A 23 4.318 9.912 3.607 1.00 0.00 C ATOM 271 C TYR A 23 4.907 11.310 3.775 1.00 0.00 C ATOM 272 O TYR A 23 4.177 12.299 3.841 1.00 0.00 O ATOM 273 CB TYR A 23 4.120 9.605 2.122 1.00 0.00 C ATOM 274 CG TYR A 23 3.059 8.561 1.856 1.00 0.00 C ATOM 275 CD1 TYR A 23 2.999 7.396 2.611 1.00 0.00 C ATOM 276 CD2 TYR A 23 2.118 8.738 0.849 1.00 0.00 C ATOM 277 CE1 TYR A 23 2.033 6.438 2.371 1.00 0.00 C ATOM 278 CE2 TYR A 23 1.147 7.787 0.604 1.00 0.00 C ATOM 279 CZ TYR A 23 1.109 6.638 1.367 1.00 0.00 C ATOM 280 OH TYR A 23 0.144 5.688 1.124 1.00 0.00 O ATOM 0 H TYR A 23 2.268 9.498 3.741 1.00 0.00 H new ATOM 0 HA TYR A 23 5.016 9.190 4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.851 10.525 1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.066 9.265 1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.720 7.237 3.399 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.146 9.635 0.248 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.002 5.537 2.966 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.421 7.942 -0.181 1.00 0.00 H new ATOM 0 HH TYR A 23 0.304 4.906 1.692 1.00 0.00 H new ATOM 290 N SER A 24 6.232 11.383 3.842 1.00 0.00 N ATOM 291 CA SER A 24 6.920 12.658 4.005 1.00 0.00 C ATOM 292 C SER A 24 7.041 13.385 2.669 1.00 0.00 C ATOM 293 O SER A 24 7.029 12.762 1.608 1.00 0.00 O ATOM 294 CB SER A 24 8.310 12.439 4.607 1.00 0.00 C ATOM 295 OG SER A 24 8.733 13.575 5.340 1.00 0.00 O ATOM 0 H SER A 24 6.851 10.574 3.786 1.00 0.00 H new ATOM 0 HA SER A 24 6.331 13.276 4.683 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.294 11.566 5.260 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.025 12.229 3.812 1.00 0.00 H new ATOM 0 HG SER A 24 9.623 13.409 5.716 1.00 0.00 H new ATOM 301 N ALA A 25 7.157 14.707 2.731 1.00 0.00 N ATOM 302 CA ALA A 25 7.282 15.520 1.527 1.00 0.00 C ATOM 303 C ALA A 25 8.104 14.801 0.462 1.00 0.00 C ATOM 304 O ALA A 25 7.891 14.993 -0.735 1.00 0.00 O ATOM 305 CB ALA A 25 7.909 16.865 1.861 1.00 0.00 C ATOM 0 H ALA A 25 7.167 15.238 3.602 1.00 0.00 H new ATOM 0 HA ALA A 25 6.282 15.687 1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.996 17.461 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.282 17.390 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.899 16.709 2.289 1.00 0.00 H new ATOM 311 N ARG A 26 9.045 13.974 0.906 1.00 0.00 N ATOM 312 CA ARG A 26 9.901 13.229 -0.009 1.00 0.00 C ATOM 313 C ARG A 26 9.277 11.881 -0.360 1.00 0.00 C ATOM 314 O ARG A 26 8.930 11.627 -1.514 1.00 0.00 O ATOM 315 CB ARG A 26 11.284 13.017 0.610 1.00 0.00 C ATOM 316 CG ARG A 26 12.296 12.416 -0.352 1.00 0.00 C ATOM 317 CD ARG A 26 13.696 12.414 0.242 1.00 0.00 C ATOM 318 NE ARG A 26 14.689 11.907 -0.700 1.00 0.00 N ATOM 319 CZ ARG A 26 15.986 11.817 -0.424 1.00 0.00 C ATOM 320 NH1 ARG A 26 16.442 12.199 0.760 1.00 0.00 N ATOM 321 NH2 ARG A 26 16.828 11.345 -1.334 1.00 0.00 N ATOM 0 H ARG A 26 9.234 13.803 1.894 1.00 0.00 H new ATOM 0 HA ARG A 26 10.006 13.812 -0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.662 13.974 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.188 12.364 1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.003 11.396 -0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.295 12.982 -1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.964 13.427 0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.706 11.802 1.144 1.00 0.00 H new ATOM 0 HE ARG A 26 14.370 11.605 -1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.797 12.563 1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.438 12.129 0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.480 11.051 -2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.823 11.276 -1.121 1.00 0.00 H new ATOM 335 N LEU A 27 9.138 11.021 0.643 1.00 0.00 N ATOM 336 CA LEU A 27 8.556 9.698 0.441 1.00 0.00 C ATOM 337 C LEU A 27 7.438 9.747 -0.596 1.00 0.00 C ATOM 338 O LEU A 27 6.753 10.760 -0.736 1.00 0.00 O ATOM 339 CB LEU A 27 8.018 9.149 1.763 1.00 0.00 C ATOM 340 CG LEU A 27 7.481 7.717 1.726 1.00 0.00 C ATOM 341 CD1 LEU A 27 8.572 6.749 1.296 1.00 0.00 C ATOM 342 CD2 LEU A 27 6.921 7.323 3.085 1.00 0.00 C ATOM 0 H LEU A 27 9.420 11.216 1.604 1.00 0.00 H new ATOM 0 HA LEU A 27 9.339 9.036 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.815 9.198 2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.220 9.806 2.109 1.00 0.00 H new ATOM 0 HG LEU A 27 6.674 7.670 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.172 5.735 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.927 7.019 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.401 6.798 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.543 6.301 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.709 7.386 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.109 7.999 3.354 1.00 0.00 H new ATOM 354 N SER A 28 7.259 8.646 -1.318 1.00 0.00 N ATOM 355 CA SER A 28 6.225 8.564 -2.343 1.00 0.00 C ATOM 356 C SER A 28 5.350 7.332 -2.134 1.00 0.00 C ATOM 357 O SER A 28 5.829 6.281 -1.707 1.00 0.00 O ATOM 358 CB SER A 28 6.859 8.522 -3.735 1.00 0.00 C ATOM 359 OG SER A 28 7.734 9.620 -3.930 1.00 0.00 O ATOM 0 H SER A 28 7.816 7.798 -1.212 1.00 0.00 H new ATOM 0 HA SER A 28 5.598 9.452 -2.263 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.408 7.589 -3.860 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.077 8.536 -4.495 1.00 0.00 H new ATOM 0 HG SER A 28 8.128 9.569 -4.826 1.00 0.00 H new ATOM 365 N ILE A 29 4.063 7.470 -2.437 1.00 0.00 N ATOM 366 CA ILE A 29 3.121 6.369 -2.284 1.00 0.00 C ATOM 367 C ILE A 29 3.750 5.044 -2.699 1.00 0.00 C ATOM 368 O ILE A 29 3.640 4.043 -1.990 1.00 0.00 O ATOM 369 CB ILE A 29 1.845 6.601 -3.115 1.00 0.00 C ATOM 370 CG1 ILE A 29 0.917 5.388 -3.015 1.00 0.00 C ATOM 371 CG2 ILE A 29 2.202 6.883 -4.567 1.00 0.00 C ATOM 372 CD1 ILE A 29 0.244 5.251 -1.667 1.00 0.00 C ATOM 0 H ILE A 29 3.650 8.333 -2.790 1.00 0.00 H new ATOM 0 HA ILE A 29 2.855 6.326 -1.228 1.00 0.00 H new ATOM 0 HB ILE A 29 1.322 7.469 -2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.152 5.461 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.491 4.484 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.290 7.045 -5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.828 7.774 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.745 6.033 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.398 4.370 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.002 5.146 -0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.357 6.138 -1.469 1.00 0.00 H new ATOM 384 N ARG A 30 4.412 5.045 -3.851 1.00 0.00 N ATOM 385 CA ARG A 30 5.061 3.843 -4.361 1.00 0.00 C ATOM 386 C ARG A 30 6.017 3.260 -3.324 1.00 0.00 C ATOM 387 O ARG A 30 5.807 2.155 -2.823 1.00 0.00 O ATOM 388 CB ARG A 30 5.820 4.155 -5.652 1.00 0.00 C ATOM 389 CG ARG A 30 4.970 4.024 -6.905 1.00 0.00 C ATOM 390 CD ARG A 30 5.665 4.628 -8.115 1.00 0.00 C ATOM 391 NE ARG A 30 6.562 3.675 -8.764 1.00 0.00 N ATOM 392 CZ ARG A 30 6.940 3.769 -10.034 1.00 0.00 C ATOM 393 NH1 ARG A 30 6.502 4.769 -10.787 1.00 0.00 N ATOM 394 NH2 ARG A 30 7.758 2.863 -10.553 1.00 0.00 N ATOM 0 H ARG A 30 4.513 5.865 -4.449 1.00 0.00 H new ATOM 0 HA ARG A 30 4.287 3.105 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.215 5.169 -5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.675 3.484 -5.732 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.758 2.972 -7.094 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.012 4.520 -6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.916 4.967 -8.831 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.231 5.507 -7.806 1.00 0.00 H new ATOM 0 HE ARG A 30 6.918 2.895 -8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.873 5.468 -10.391 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.794 4.839 -11.762 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.098 2.093 -9.977 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.047 2.936 -11.528 1.00 0.00 H new ATOM 408 N ASP A 31 7.067 4.009 -3.008 1.00 0.00 N ATOM 409 CA ASP A 31 8.056 3.568 -2.031 1.00 0.00 C ATOM 410 C ASP A 31 7.377 2.958 -0.808 1.00 0.00 C ATOM 411 O ASP A 31 7.886 2.010 -0.211 1.00 0.00 O ATOM 412 CB ASP A 31 8.943 4.739 -1.606 1.00 0.00 C ATOM 413 CG ASP A 31 10.026 5.044 -2.622 1.00 0.00 C ATOM 414 OD1 ASP A 31 10.721 4.098 -3.050 1.00 0.00 O ATOM 415 OD2 ASP A 31 10.178 6.227 -2.990 1.00 0.00 O ATOM 0 H ASP A 31 7.256 4.925 -3.414 1.00 0.00 H new ATOM 0 HA ASP A 31 8.677 2.804 -2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.325 5.625 -1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.404 4.511 -0.645 1.00 0.00 H new ATOM 420 N HIS A 32 6.224 3.510 -0.441 1.00 0.00 N ATOM 421 CA HIS A 32 5.475 3.021 0.711 1.00 0.00 C ATOM 422 C HIS A 32 4.821 1.677 0.403 1.00 0.00 C ATOM 423 O HIS A 32 5.221 0.644 0.940 1.00 0.00 O ATOM 424 CB HIS A 32 4.410 4.037 1.122 1.00 0.00 C ATOM 425 CG HIS A 32 3.528 3.563 2.236 1.00 0.00 C ATOM 426 ND1 HIS A 32 3.955 3.458 3.542 1.00 0.00 N ATOM 427 CD2 HIS A 32 2.234 3.166 2.232 1.00 0.00 C ATOM 428 CE1 HIS A 32 2.963 3.015 4.294 1.00 0.00 C ATOM 429 NE2 HIS A 32 1.907 2.831 3.523 1.00 0.00 N ATOM 0 H HIS A 32 5.789 4.296 -0.925 1.00 0.00 H new ATOM 0 HA HIS A 32 6.174 2.885 1.536 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.900 4.962 1.426 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.792 4.274 0.256 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.891 3.687 3.876 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.580 3.121 1.373 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.008 2.834 5.358 1.00 0.00 H new ATOM 437 N ILE A 33 3.814 1.700 -0.464 1.00 0.00 N ATOM 438 CA ILE A 33 3.106 0.483 -0.843 1.00 0.00 C ATOM 439 C ILE A 33 4.082 -0.641 -1.174 1.00 0.00 C ATOM 440 O ILE A 33 3.747 -1.820 -1.065 1.00 0.00 O ATOM 441 CB ILE A 33 2.185 0.722 -2.054 1.00 0.00 C ATOM 442 CG1 ILE A 33 3.007 1.152 -3.270 1.00 0.00 C ATOM 443 CG2 ILE A 33 1.134 1.771 -1.721 1.00 0.00 C ATOM 444 CD1 ILE A 33 2.170 1.419 -4.502 1.00 0.00 C ATOM 0 H ILE A 33 3.470 2.547 -0.917 1.00 0.00 H new ATOM 0 HA ILE A 33 2.498 0.192 0.014 1.00 0.00 H new ATOM 0 HB ILE A 33 1.676 -0.211 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.568 2.053 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.737 0.375 -3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.491 1.929 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.532 1.429 -0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.625 2.708 -1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.819 1.719 -5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.630 0.514 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.458 2.217 -4.292 1.00 0.00 H new ATOM 456 N PHE A 34 5.291 -0.267 -1.578 1.00 0.00 N ATOM 457 CA PHE A 34 6.317 -1.243 -1.925 1.00 0.00 C ATOM 458 C PHE A 34 7.104 -1.668 -0.688 1.00 0.00 C ATOM 459 O PHE A 34 8.281 -2.017 -0.778 1.00 0.00 O ATOM 460 CB PHE A 34 7.269 -0.664 -2.974 1.00 0.00 C ATOM 461 CG PHE A 34 6.835 -0.927 -4.387 1.00 0.00 C ATOM 462 CD1 PHE A 34 5.890 -0.117 -4.998 1.00 0.00 C ATOM 463 CD2 PHE A 34 7.370 -1.984 -5.105 1.00 0.00 C ATOM 464 CE1 PHE A 34 5.489 -0.356 -6.299 1.00 0.00 C ATOM 465 CE2 PHE A 34 6.973 -2.228 -6.406 1.00 0.00 C ATOM 466 CZ PHE A 34 6.030 -1.414 -7.004 1.00 0.00 C ATOM 0 H PHE A 34 5.584 0.705 -1.673 1.00 0.00 H new ATOM 0 HA PHE A 34 5.822 -2.121 -2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.353 0.412 -2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.263 -1.085 -2.823 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.462 0.710 -4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.106 -2.625 -4.643 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.753 0.284 -6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.400 -3.054 -6.955 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.717 -1.604 -8.020 1.00 0.00 H new ATOM 476 N SER A 35 6.444 -1.636 0.465 1.00 0.00 N ATOM 477 CA SER A 35 7.081 -2.014 1.721 1.00 0.00 C ATOM 478 C SER A 35 6.187 -2.954 2.523 1.00 0.00 C ATOM 479 O SER A 35 5.007 -2.676 2.737 1.00 0.00 O ATOM 480 CB SER A 35 7.402 -0.768 2.549 1.00 0.00 C ATOM 481 OG SER A 35 8.385 0.029 1.911 1.00 0.00 O ATOM 0 H SER A 35 5.468 -1.352 0.556 1.00 0.00 H new ATOM 0 HA SER A 35 8.009 -2.536 1.486 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.495 -0.182 2.697 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.755 -1.065 3.537 1.00 0.00 H new ATOM 0 HG SER A 35 7.957 0.604 1.243 1.00 0.00 H new ATOM 487 N LYS A 36 6.757 -4.070 2.964 1.00 0.00 N ATOM 488 CA LYS A 36 6.015 -5.054 3.743 1.00 0.00 C ATOM 489 C LYS A 36 4.994 -4.372 4.649 1.00 0.00 C ATOM 490 O LYS A 36 3.815 -4.722 4.643 1.00 0.00 O ATOM 491 CB LYS A 36 6.974 -5.899 4.584 1.00 0.00 C ATOM 492 CG LYS A 36 6.281 -6.976 5.400 1.00 0.00 C ATOM 493 CD LYS A 36 5.703 -8.064 4.510 1.00 0.00 C ATOM 494 CE LYS A 36 6.776 -9.039 4.053 1.00 0.00 C ATOM 495 NZ LYS A 36 7.538 -8.518 2.884 1.00 0.00 N ATOM 0 H LYS A 36 7.732 -4.316 2.795 1.00 0.00 H new ATOM 0 HA LYS A 36 5.483 -5.704 3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.705 -6.368 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.527 -5.244 5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.991 -7.416 6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.484 -6.528 5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.926 -8.604 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.228 -7.610 3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.463 -9.235 4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.314 -9.991 3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.631 -9.267 2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.032 -7.708 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.484 -8.215 3.193 1.00 0.00 H new ATOM 509 N GLN A 37 5.457 -3.396 5.425 1.00 0.00 N ATOM 510 CA GLN A 37 4.583 -2.666 6.335 1.00 0.00 C ATOM 511 C GLN A 37 3.209 -2.445 5.710 1.00 0.00 C ATOM 512 O GLN A 37 2.181 -2.685 6.345 1.00 0.00 O ATOM 513 CB GLN A 37 5.209 -1.321 6.707 1.00 0.00 C ATOM 514 CG GLN A 37 5.388 -0.384 5.523 1.00 0.00 C ATOM 515 CD GLN A 37 6.033 0.931 5.911 1.00 0.00 C ATOM 516 OE1 GLN A 37 6.471 1.109 7.048 1.00 0.00 O ATOM 517 NE2 GLN A 37 6.096 1.862 4.966 1.00 0.00 N ATOM 0 H GLN A 37 6.431 -3.094 5.441 1.00 0.00 H new ATOM 0 HA GLN A 37 4.459 -3.264 7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.583 -0.833 7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.180 -1.497 7.170 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.000 -0.875 4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.416 -0.188 5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.720 1.672 4.037 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.520 2.767 5.169 1.00 0.00 H new ATOM 526 N HIS A 38 3.198 -1.986 4.463 1.00 0.00 N ATOM 527 CA HIS A 38 1.949 -1.733 3.752 1.00 0.00 C ATOM 528 C HIS A 38 1.293 -3.042 3.324 1.00 0.00 C ATOM 529 O HIS A 38 0.159 -3.333 3.705 1.00 0.00 O ATOM 530 CB HIS A 38 2.204 -0.852 2.529 1.00 0.00 C ATOM 531 CG HIS A 38 0.991 -0.650 1.674 1.00 0.00 C ATOM 532 ND1 HIS A 38 0.242 0.508 1.691 1.00 0.00 N ATOM 533 CD2 HIS A 38 0.399 -1.466 0.770 1.00 0.00 C ATOM 534 CE1 HIS A 38 -0.759 0.394 0.837 1.00 0.00 C ATOM 535 NE2 HIS A 38 -0.686 -0.794 0.264 1.00 0.00 N ATOM 0 H HIS A 38 4.039 -1.782 3.924 1.00 0.00 H new ATOM 0 HA HIS A 38 1.272 -1.213 4.430 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.570 0.119 2.861 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.993 -1.301 1.926 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.721 -2.460 0.498 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.510 1.145 0.640 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.331 -1.154 -0.440 1.00 0.00 H new ATOM 543 N ILE A 39 2.013 -3.826 2.529 1.00 0.00 N ATOM 544 CA ILE A 39 1.501 -5.104 2.049 1.00 0.00 C ATOM 545 C ILE A 39 0.722 -5.829 3.141 1.00 0.00 C ATOM 546 O ILE A 39 -0.443 -6.180 2.958 1.00 0.00 O ATOM 547 CB ILE A 39 2.638 -6.016 1.553 1.00 0.00 C ATOM 548 CG1 ILE A 39 3.270 -5.436 0.286 1.00 0.00 C ATOM 549 CG2 ILE A 39 2.115 -7.421 1.295 1.00 0.00 C ATOM 550 CD1 ILE A 39 4.424 -4.498 0.562 1.00 0.00 C ATOM 0 H ILE A 39 2.953 -3.599 2.204 1.00 0.00 H new ATOM 0 HA ILE A 39 0.834 -4.884 1.216 1.00 0.00 H new ATOM 0 HB ILE A 39 3.404 -6.071 2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.620 -6.254 -0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.506 -4.903 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.930 -8.054 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.707 -7.832 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.333 -7.385 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.823 -4.125 -0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.075 -3.660 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.206 -5.032 1.101 1.00 0.00 H new ATOM 562 N SER A 40 1.374 -6.048 4.279 1.00 0.00 N ATOM 563 CA SER A 40 0.744 -6.733 5.401 1.00 0.00 C ATOM 564 C SER A 40 -0.699 -6.271 5.579 1.00 0.00 C ATOM 565 O SER A 40 -1.625 -7.082 5.608 1.00 0.00 O ATOM 566 CB SER A 40 1.534 -6.483 6.687 1.00 0.00 C ATOM 567 OG SER A 40 0.947 -7.158 7.786 1.00 0.00 O ATOM 0 H SER A 40 2.338 -5.761 4.448 1.00 0.00 H new ATOM 0 HA SER A 40 0.741 -7.802 5.187 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.563 -6.820 6.557 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.572 -5.413 6.892 1.00 0.00 H new ATOM 0 HG SER A 40 1.471 -6.983 8.595 1.00 0.00 H new ATOM 573 N LYS A 41 -0.884 -4.960 5.698 1.00 0.00 N ATOM 574 CA LYS A 41 -2.213 -4.387 5.872 1.00 0.00 C ATOM 575 C LYS A 41 -3.139 -4.804 4.734 1.00 0.00 C ATOM 576 O LYS A 41 -4.294 -5.165 4.961 1.00 0.00 O ATOM 577 CB LYS A 41 -2.127 -2.860 5.939 1.00 0.00 C ATOM 578 CG LYS A 41 -3.327 -2.213 6.609 1.00 0.00 C ATOM 579 CD LYS A 41 -3.260 -2.346 8.122 1.00 0.00 C ATOM 580 CE LYS A 41 -2.474 -1.204 8.747 1.00 0.00 C ATOM 581 NZ LYS A 41 -2.174 -1.459 10.184 1.00 0.00 N ATOM 0 H LYS A 41 -0.129 -4.274 5.677 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.624 -4.764 6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.224 -2.579 6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.029 -2.465 4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.372 -1.158 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.243 -2.676 6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.270 -2.361 8.532 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.795 -3.296 8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.541 -1.063 8.201 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.042 -0.278 8.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.637 -0.658 10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.064 -1.568 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.611 -2.329 10.272 1.00 0.00 H new ATOM 595 N VAL A 42 -2.624 -4.755 3.509 1.00 0.00 N ATOM 596 CA VAL A 42 -3.404 -5.131 2.336 1.00 0.00 C ATOM 597 C VAL A 42 -3.827 -6.594 2.403 1.00 0.00 C ATOM 598 O VAL A 42 -4.903 -6.962 1.932 1.00 0.00 O ATOM 599 CB VAL A 42 -2.612 -4.895 1.037 1.00 0.00 C ATOM 600 CG1 VAL A 42 -3.453 -5.265 -0.176 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.146 -3.450 0.951 1.00 0.00 C ATOM 0 H VAL A 42 -1.670 -4.459 3.304 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.292 -4.500 2.331 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.731 -5.537 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.877 -5.092 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.732 -6.317 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.354 -4.652 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.588 -3.302 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.011 -2.787 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.504 -3.223 1.802 1.00 0.00 H new ATOM 611 N ARG A 43 -2.972 -7.425 2.992 1.00 0.00 N ATOM 612 CA ARG A 43 -3.257 -8.849 3.120 1.00 0.00 C ATOM 613 C ARG A 43 -4.256 -9.104 4.244 1.00 0.00 C ATOM 614 O ARG A 43 -4.950 -10.121 4.251 1.00 0.00 O ATOM 615 CB ARG A 43 -1.966 -9.626 3.385 1.00 0.00 C ATOM 616 CG ARG A 43 -1.237 -10.044 2.118 1.00 0.00 C ATOM 617 CD ARG A 43 -0.307 -11.220 2.373 1.00 0.00 C ATOM 618 NE ARG A 43 -1.044 -12.457 2.620 1.00 0.00 N ATOM 619 CZ ARG A 43 -0.512 -13.667 2.493 1.00 0.00 C ATOM 620 NH1 ARG A 43 0.755 -13.803 2.125 1.00 0.00 N ATOM 621 NH2 ARG A 43 -1.247 -14.745 2.735 1.00 0.00 N ATOM 0 H ARG A 43 -2.077 -7.136 3.388 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.695 -9.193 2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.300 -9.012 3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.201 -10.516 3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.963 -10.313 1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.663 -9.202 1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.351 -11.355 1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.329 -11.000 3.230 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.021 -12.387 2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.323 -12.977 1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.161 -14.734 2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.222 -14.645 3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.837 -15.674 2.637 1.00 0.00 H new ATOM 635 N GLU A 44 -4.323 -8.175 5.193 1.00 0.00 N ATOM 636 CA GLU A 44 -5.237 -8.302 6.322 1.00 0.00 C ATOM 637 C GLU A 44 -6.648 -7.869 5.931 1.00 0.00 C ATOM 638 O GLU A 44 -7.606 -8.628 6.079 1.00 0.00 O ATOM 639 CB GLU A 44 -4.743 -7.463 7.503 1.00 0.00 C ATOM 640 CG GLU A 44 -3.575 -8.088 8.246 1.00 0.00 C ATOM 641 CD GLU A 44 -4.017 -9.106 9.279 1.00 0.00 C ATOM 642 OE1 GLU A 44 -4.944 -8.798 10.057 1.00 0.00 O ATOM 643 OE2 GLU A 44 -3.436 -10.211 9.309 1.00 0.00 O ATOM 0 H GLU A 44 -3.756 -7.327 5.202 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.266 -9.351 6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.447 -6.479 7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.567 -7.311 8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.909 -8.569 7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.000 -7.303 8.738 1.00 0.00 H new ATOM 650 N THR A 45 -6.767 -6.642 5.433 1.00 0.00 N ATOM 651 CA THR A 45 -8.059 -6.107 5.023 1.00 0.00 C ATOM 652 C THR A 45 -8.812 -7.099 4.143 1.00 0.00 C ATOM 653 O THR A 45 -10.032 -7.228 4.240 1.00 0.00 O ATOM 654 CB THR A 45 -7.900 -4.779 4.258 1.00 0.00 C ATOM 655 OG1 THR A 45 -9.181 -4.173 4.055 1.00 0.00 O ATOM 656 CG2 THR A 45 -7.222 -5.005 2.916 1.00 0.00 C ATOM 0 H THR A 45 -5.984 -6.001 5.304 1.00 0.00 H new ATOM 0 HA THR A 45 -8.630 -5.928 5.934 1.00 0.00 H new ATOM 0 HB THR A 45 -7.275 -4.115 4.855 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.070 -3.329 3.570 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.121 -4.053 2.395 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.235 -5.438 3.076 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.824 -5.686 2.314 1.00 0.00 H new ATOM 664 N VAL A 46 -8.076 -7.799 3.286 1.00 0.00 N ATOM 665 CA VAL A 46 -8.674 -8.781 2.390 1.00 0.00 C ATOM 666 C VAL A 46 -7.895 -10.092 2.413 1.00 0.00 C ATOM 667 O VAL A 46 -6.674 -10.103 2.263 1.00 0.00 O ATOM 668 CB VAL A 46 -8.734 -8.258 0.942 1.00 0.00 C ATOM 669 CG1 VAL A 46 -7.367 -7.762 0.496 1.00 0.00 C ATOM 670 CG2 VAL A 46 -9.250 -9.340 0.006 1.00 0.00 C ATOM 0 H VAL A 46 -7.065 -7.704 3.193 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.689 -8.958 2.747 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.428 -7.418 0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.429 -7.397 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.042 -6.953 1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.649 -8.580 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.286 -8.953 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.584 -10.202 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.251 -9.641 0.315 1.00 0.00 H new ATOM 680 N GLY A 47 -8.611 -11.196 2.601 1.00 0.00 N ATOM 681 CA GLY A 47 -7.971 -12.498 2.640 1.00 0.00 C ATOM 682 C GLY A 47 -8.346 -13.292 3.876 1.00 0.00 C ATOM 683 O GLY A 47 -7.507 -13.980 4.457 1.00 0.00 O ATOM 0 H GLY A 47 -9.623 -11.212 2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.250 -13.063 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.889 -12.369 2.609 1.00 0.00 H new ATOM 687 N SER A 48 -9.609 -13.195 4.278 1.00 0.00 N ATOM 688 CA SER A 48 -10.092 -13.906 5.456 1.00 0.00 C ATOM 689 C SER A 48 -11.539 -14.352 5.266 1.00 0.00 C ATOM 690 O SER A 48 -12.453 -13.530 5.237 1.00 0.00 O ATOM 691 CB SER A 48 -9.979 -13.018 6.696 1.00 0.00 C ATOM 692 OG SER A 48 -10.607 -13.620 7.815 1.00 0.00 O ATOM 0 H SER A 48 -10.316 -12.631 3.806 1.00 0.00 H new ATOM 0 HA SER A 48 -9.472 -14.792 5.595 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.928 -12.834 6.920 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.437 -12.049 6.496 1.00 0.00 H new ATOM 0 HG SER A 48 -10.519 -13.033 8.595 1.00 0.00 H new ATOM 698 N GLN A 49 -11.736 -15.660 5.138 1.00 0.00 N ATOM 699 CA GLN A 49 -13.071 -16.216 4.950 1.00 0.00 C ATOM 700 C GLN A 49 -13.717 -16.545 6.291 1.00 0.00 C ATOM 701 O GLN A 49 -14.196 -17.659 6.505 1.00 0.00 O ATOM 702 CB GLN A 49 -13.005 -17.473 4.081 1.00 0.00 C ATOM 703 CG GLN A 49 -14.368 -17.975 3.632 1.00 0.00 C ATOM 704 CD GLN A 49 -15.238 -16.872 3.062 1.00 0.00 C ATOM 705 OE1 GLN A 49 -15.221 -16.612 1.859 1.00 0.00 O ATOM 706 NE2 GLN A 49 -16.004 -16.216 3.926 1.00 0.00 N ATOM 0 H GLN A 49 -10.989 -16.354 5.161 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.682 -15.466 4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -12.396 -17.265 3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.501 -18.263 4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.235 -18.753 2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.879 -18.434 4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.986 -16.465 4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.610 -15.463 3.601 1.00 0.00 H new ATOM 715 N LEU A 50 -13.728 -15.568 7.192 1.00 0.00 N ATOM 716 CA LEU A 50 -14.316 -15.753 8.514 1.00 0.00 C ATOM 717 C LEU A 50 -15.561 -14.888 8.682 1.00 0.00 C ATOM 718 O LEU A 50 -16.608 -15.368 9.118 1.00 0.00 O ATOM 719 CB LEU A 50 -13.295 -15.413 9.600 1.00 0.00 C ATOM 720 CG LEU A 50 -13.856 -15.203 11.007 1.00 0.00 C ATOM 721 CD1 LEU A 50 -14.454 -16.495 11.542 1.00 0.00 C ATOM 722 CD2 LEU A 50 -12.771 -14.688 11.943 1.00 0.00 C ATOM 0 H LEU A 50 -13.336 -14.640 7.031 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.607 -16.799 8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.557 -16.214 9.641 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.766 -14.508 9.303 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.647 -14.455 10.954 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -14.848 -16.326 12.544 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.260 -16.822 10.885 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.683 -17.264 11.580 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.188 -14.544 12.940 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.958 -15.412 11.991 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.389 -13.738 11.569 1.00 0.00 H new ATOM 734 N ASP A 51 -15.441 -13.613 8.331 1.00 0.00 N ATOM 735 CA ASP A 51 -16.558 -12.681 8.440 1.00 0.00 C ATOM 736 C ASP A 51 -17.645 -13.015 7.423 1.00 0.00 C ATOM 737 O ASP A 51 -17.379 -13.646 6.400 1.00 0.00 O ATOM 738 CB ASP A 51 -16.074 -11.245 8.235 1.00 0.00 C ATOM 739 CG ASP A 51 -15.035 -11.136 7.136 1.00 0.00 C ATOM 740 OD1 ASP A 51 -13.830 -11.259 7.443 1.00 0.00 O ATOM 741 OD2 ASP A 51 -15.426 -10.928 5.968 1.00 0.00 O ATOM 0 H ASP A 51 -14.582 -13.200 7.968 1.00 0.00 H new ATOM 0 HA ASP A 51 -16.980 -12.774 9.440 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.925 -10.609 7.991 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.653 -10.870 9.168 1.00 0.00 H new ATOM 746 N ARG A 52 -18.870 -12.588 7.712 1.00 0.00 N ATOM 747 CA ARG A 52 -19.997 -12.844 6.824 1.00 0.00 C ATOM 748 C ARG A 52 -20.788 -11.564 6.567 1.00 0.00 C ATOM 749 O ARG A 52 -21.584 -11.137 7.402 1.00 0.00 O ATOM 750 CB ARG A 52 -20.915 -13.911 7.425 1.00 0.00 C ATOM 751 CG ARG A 52 -20.547 -15.329 7.019 1.00 0.00 C ATOM 752 CD ARG A 52 -21.771 -16.231 6.976 1.00 0.00 C ATOM 753 NE ARG A 52 -22.319 -16.473 8.308 1.00 0.00 N ATOM 754 CZ ARG A 52 -21.876 -17.424 9.123 1.00 0.00 C ATOM 755 NH1 ARG A 52 -20.883 -18.217 8.745 1.00 0.00 N ATOM 756 NH2 ARG A 52 -22.427 -17.582 10.320 1.00 0.00 N ATOM 0 H ARG A 52 -19.107 -12.063 8.554 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.604 -13.205 5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -20.885 -13.834 8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -21.942 -13.709 7.119 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -20.069 -15.316 6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.820 -15.733 7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -22.535 -15.775 6.347 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -21.504 -17.182 6.515 1.00 0.00 H new ATOM 0 HE ARG A 52 -23.083 -15.880 8.630 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -20.457 -18.098 7.826 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.545 -18.946 9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -23.191 -16.973 10.614 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -22.087 -18.312 10.946 1.00 0.00 H new ATOM 770 N GLU A 53 -20.561 -10.958 5.406 1.00 0.00 N ATOM 771 CA GLU A 53 -21.251 -9.727 5.040 1.00 0.00 C ATOM 772 C GLU A 53 -22.386 -10.010 4.061 1.00 0.00 C ATOM 773 O GLU A 53 -22.252 -9.791 2.856 1.00 0.00 O ATOM 774 CB GLU A 53 -20.268 -8.729 4.424 1.00 0.00 C ATOM 775 CG GLU A 53 -20.745 -7.288 4.486 1.00 0.00 C ATOM 776 CD GLU A 53 -19.643 -6.294 4.175 1.00 0.00 C ATOM 777 OE1 GLU A 53 -18.507 -6.500 4.650 1.00 0.00 O ATOM 778 OE2 GLU A 53 -19.917 -5.310 3.456 1.00 0.00 O ATOM 0 H GLU A 53 -19.905 -11.299 4.703 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.676 -9.295 5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -19.311 -8.809 4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -20.092 -9.000 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.564 -7.150 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.143 -7.084 5.480 1.00 0.00 H new ATOM 785 N LYS A 54 -23.505 -10.499 4.586 1.00 0.00 N ATOM 786 CA LYS A 54 -24.665 -10.812 3.760 1.00 0.00 C ATOM 787 C LYS A 54 -25.924 -10.157 4.320 1.00 0.00 C ATOM 788 O LYS A 54 -26.698 -10.790 5.038 1.00 0.00 O ATOM 789 CB LYS A 54 -24.861 -12.327 3.674 1.00 0.00 C ATOM 790 CG LYS A 54 -23.831 -13.026 2.805 1.00 0.00 C ATOM 791 CD LYS A 54 -22.614 -13.447 3.611 1.00 0.00 C ATOM 792 CE LYS A 54 -21.422 -13.738 2.711 1.00 0.00 C ATOM 793 NZ LYS A 54 -20.927 -12.508 2.032 1.00 0.00 N ATOM 0 H LYS A 54 -23.633 -10.687 5.580 1.00 0.00 H new ATOM 0 HA LYS A 54 -24.485 -10.417 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -24.821 -12.747 4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -25.856 -12.534 3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -24.281 -13.903 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.522 -12.361 1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -22.354 -12.659 4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -22.854 -14.334 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -20.618 -14.175 3.303 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -21.704 -14.478 1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -21.006 -12.625 1.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -21.498 -11.692 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.932 -12.347 2.287 1.00 0.00 H new ATOM 807 N ASP A 55 -26.122 -8.887 3.985 1.00 0.00 N ATOM 808 CA ASP A 55 -27.289 -8.146 4.452 1.00 0.00 C ATOM 809 C ASP A 55 -28.240 -7.846 3.298 1.00 0.00 C ATOM 810 O ASP A 55 -29.427 -7.599 3.507 1.00 0.00 O ATOM 811 CB ASP A 55 -26.856 -6.843 5.125 1.00 0.00 C ATOM 812 CG ASP A 55 -25.904 -7.076 6.281 1.00 0.00 C ATOM 813 OD1 ASP A 55 -26.386 -7.330 7.405 1.00 0.00 O ATOM 814 OD2 ASP A 55 -24.676 -7.004 6.063 1.00 0.00 O ATOM 0 H ASP A 55 -25.490 -8.349 3.392 1.00 0.00 H new ATOM 0 HA ASP A 55 -27.814 -8.764 5.180 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -26.377 -6.199 4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -27.738 -6.313 5.486 1.00 0.00 H new TER 819 ASP A 55 HETATM 820 ZN ZN A 201 0.090 1.861 3.148 1.00 0.00 ZN