USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 396 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 Set 1.1: A 26 SER OG : rot 58:sc= -0.895! USER MOD Set 1.2: A 49 THR OG1 : rot -65:sc= 0.753 USER MOD Set 2.1: A 44 SER OG : rot -25:sc= 1.73! USER MOD Set 2.2: A 47 THR OG1 : rot 2:sc= 0.305! USER MOD Set 3.1: A 33 ASN : amide:sc= -3.74! C(o=-6.4!,f=-12!) USER MOD Set 3.2: A 36 ASN : amide:sc= -2.71! K(o=-6.4!,f=-5.7) USER MOD Set 4.1: A 20 TYR OH : rot 150:sc= 0 USER MOD Set 4.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -167:sc= -0.0844 (180deg=-0.438) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0407 USER MOD Single : A 9 SER OG : rot 13:sc= 0.903! USER MOD Single : A 11 TYR OH : rot 69:sc= -1.48 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.45! C(o=-2.5!,f=-3.5!) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0.121 (180deg=0.12) USER MOD Single : A 30 THR OG1 : rot -41:sc= 0.568 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 34 LYS NZ :NH3+ -130:sc=-0.00216 (180deg=-0.227) USER MOD Single : A 39 ASN : amide:sc= -0.0744 K(o=-0.074,f=-2.8!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -8.81! C(o=-8.8!,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.848 14.449 8.141 1.00 0.00 N ATOM 2 CA LEU A 1 1.418 15.588 7.280 1.00 0.00 C ATOM 3 C LEU A 1 2.483 15.854 6.215 1.00 0.00 C ATOM 4 O LEU A 1 3.377 16.654 6.404 1.00 0.00 O ATOM 5 CB LEU A 1 1.234 16.839 8.142 1.00 0.00 C ATOM 6 CG LEU A 1 0.010 16.667 9.042 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.462 16.327 10.463 1.00 0.00 C ATOM 8 CD2 LEU A 1 -0.792 17.970 9.062 1.00 0.00 C ATOM 0 H1 LEU A 1 1.044 14.125 8.715 1.00 0.00 H new ATOM 0 H2 LEU A 1 2.182 13.668 7.542 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.618 14.759 8.767 1.00 0.00 H new ATOM 0 HA LEU A 1 0.474 15.340 6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.123 17.008 8.749 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.110 17.716 7.506 1.00 0.00 H new ATOM 0 HG LEU A 1 -0.613 15.859 8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.412 16.205 11.103 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.035 15.400 10.450 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.085 17.134 10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -1.665 17.850 9.703 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -0.167 18.776 9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -1.116 18.214 8.050 1.00 0.00 H new ATOM 22 N ALA A 2 2.394 15.191 5.094 1.00 0.00 N ATOM 23 CA ALA A 2 3.402 15.411 4.018 1.00 0.00 C ATOM 24 C ALA A 2 2.982 14.651 2.759 1.00 0.00 C ATOM 25 O ALA A 2 1.844 14.255 2.610 1.00 0.00 O ATOM 26 CB ALA A 2 4.769 14.907 4.486 1.00 0.00 C ATOM 0 H ALA A 2 1.668 14.508 4.877 1.00 0.00 H new ATOM 0 HA ALA A 2 3.465 16.476 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.505 15.068 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.070 15.451 5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.707 13.842 4.712 1.00 0.00 H new ATOM 32 N ALA A 3 3.895 14.446 1.848 1.00 0.00 N ATOM 33 CA ALA A 3 3.551 13.714 0.597 1.00 0.00 C ATOM 34 C ALA A 3 4.337 12.405 0.540 1.00 0.00 C ATOM 35 O ALA A 3 4.840 12.017 -0.495 1.00 0.00 O ATOM 36 CB ALA A 3 3.912 14.573 -0.614 1.00 0.00 C ATOM 0 H ALA A 3 4.865 14.754 1.917 1.00 0.00 H new ATOM 0 HA ALA A 3 2.482 13.500 0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.660 14.037 -1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.353 15.508 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.981 14.788 -0.602 1.00 0.00 H new ATOM 42 N VAL A 4 4.445 11.721 1.643 1.00 0.00 N ATOM 43 CA VAL A 4 5.197 10.437 1.645 1.00 0.00 C ATOM 44 C VAL A 4 4.265 9.311 1.194 1.00 0.00 C ATOM 45 O VAL A 4 3.453 8.824 1.955 1.00 0.00 O ATOM 46 CB VAL A 4 5.709 10.144 3.057 1.00 0.00 C ATOM 47 CG1 VAL A 4 6.977 9.294 2.972 1.00 0.00 C ATOM 48 CG2 VAL A 4 6.030 11.461 3.769 1.00 0.00 C ATOM 0 H VAL A 4 4.046 11.994 2.541 1.00 0.00 H new ATOM 0 HA VAL A 4 6.045 10.507 0.964 1.00 0.00 H new ATOM 0 HB VAL A 4 4.943 9.605 3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.343 9.085 3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.753 8.356 2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.741 9.835 2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.395 11.251 4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.796 11.999 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.129 12.071 3.830 1.00 0.00 H new ATOM 58 N SER A 5 4.371 8.899 -0.039 1.00 0.00 N ATOM 59 CA SER A 5 3.486 7.808 -0.535 1.00 0.00 C ATOM 60 C SER A 5 4.326 6.729 -1.222 1.00 0.00 C ATOM 61 O SER A 5 5.395 6.994 -1.736 1.00 0.00 O ATOM 62 CB SER A 5 2.480 8.379 -1.535 1.00 0.00 C ATOM 63 OG SER A 5 2.096 7.359 -2.446 1.00 0.00 O ATOM 0 H SER A 5 5.031 9.270 -0.723 1.00 0.00 H new ATOM 0 HA SER A 5 2.954 7.369 0.309 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.605 8.762 -1.010 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.921 9.217 -2.074 1.00 0.00 H new ATOM 0 HG SER A 5 1.450 7.720 -3.088 1.00 0.00 H new ATOM 69 N VAL A 6 3.850 5.513 -1.234 1.00 0.00 N ATOM 70 CA VAL A 6 4.616 4.412 -1.886 1.00 0.00 C ATOM 71 C VAL A 6 4.285 4.379 -3.381 1.00 0.00 C ATOM 72 O VAL A 6 3.341 4.996 -3.831 1.00 0.00 O ATOM 73 CB VAL A 6 4.229 3.075 -1.251 1.00 0.00 C ATOM 74 CG1 VAL A 6 4.928 1.933 -1.991 1.00 0.00 C ATOM 75 CG2 VAL A 6 4.657 3.066 0.218 1.00 0.00 C ATOM 0 H VAL A 6 2.961 5.234 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 6 5.684 4.583 -1.751 1.00 0.00 H new ATOM 0 HB VAL A 6 3.149 2.942 -1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.651 0.982 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.624 1.938 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.008 2.065 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.382 2.114 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.737 3.200 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.158 3.878 0.747 1.00 0.00 H new ATOM 85 N ASP A 7 5.054 3.658 -4.153 1.00 0.00 N ATOM 86 CA ASP A 7 4.779 3.584 -5.616 1.00 0.00 C ATOM 87 C ASP A 7 4.282 2.182 -5.971 1.00 0.00 C ATOM 88 O ASP A 7 4.793 1.190 -5.490 1.00 0.00 O ATOM 89 CB ASP A 7 6.063 3.880 -6.394 1.00 0.00 C ATOM 90 CG ASP A 7 5.740 3.999 -7.885 1.00 0.00 C ATOM 91 OD1 ASP A 7 4.897 4.812 -8.225 1.00 0.00 O ATOM 92 OD2 ASP A 7 6.341 3.274 -8.660 1.00 0.00 O ATOM 0 H ASP A 7 5.859 3.119 -3.834 1.00 0.00 H new ATOM 0 HA ASP A 7 4.018 4.318 -5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.514 4.805 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.791 3.085 -6.231 1.00 0.00 H new ATOM 97 N CYS A 8 3.289 2.091 -6.814 1.00 0.00 N ATOM 98 CA CYS A 8 2.760 0.753 -7.202 1.00 0.00 C ATOM 99 C CYS A 8 2.550 0.711 -8.716 1.00 0.00 C ATOM 100 O CYS A 8 1.504 0.322 -9.196 1.00 0.00 O ATOM 101 CB CYS A 8 1.425 0.504 -6.495 1.00 0.00 C ATOM 102 SG CYS A 8 1.545 1.031 -4.766 1.00 0.00 S ATOM 0 H CYS A 8 2.822 2.886 -7.250 1.00 0.00 H new ATOM 0 HA CYS A 8 3.473 -0.018 -6.910 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.628 1.052 -6.998 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.167 -0.554 -6.546 1.00 0.00 H new ATOM 107 N SER A 9 3.536 1.110 -9.474 1.00 0.00 N ATOM 108 CA SER A 9 3.389 1.095 -10.958 1.00 0.00 C ATOM 109 C SER A 9 3.665 -0.312 -11.494 1.00 0.00 C ATOM 110 O SER A 9 3.754 -0.528 -12.687 1.00 0.00 O ATOM 111 CB SER A 9 4.376 2.081 -11.580 1.00 0.00 C ATOM 112 OG SER A 9 4.631 1.705 -12.927 1.00 0.00 O ATOM 0 H SER A 9 4.436 1.445 -9.130 1.00 0.00 H new ATOM 0 HA SER A 9 2.371 1.385 -11.220 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.970 3.092 -11.543 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.306 2.090 -11.011 1.00 0.00 H new ATOM 0 HG SER A 9 3.977 1.032 -13.208 1.00 0.00 H new ATOM 118 N GLU A 10 3.791 -1.268 -10.621 1.00 0.00 N ATOM 119 CA GLU A 10 4.051 -2.667 -11.064 1.00 0.00 C ATOM 120 C GLU A 10 2.997 -3.580 -10.438 1.00 0.00 C ATOM 121 O GLU A 10 3.183 -4.773 -10.307 1.00 0.00 O ATOM 122 CB GLU A 10 5.444 -3.099 -10.604 1.00 0.00 C ATOM 123 CG GLU A 10 6.459 -2.016 -10.971 1.00 0.00 C ATOM 124 CD GLU A 10 6.730 -1.139 -9.748 1.00 0.00 C ATOM 125 OE1 GLU A 10 6.005 -0.177 -9.561 1.00 0.00 O ATOM 126 OE2 GLU A 10 7.660 -1.446 -9.019 1.00 0.00 O ATOM 0 H GLU A 10 3.725 -1.141 -9.611 1.00 0.00 H new ATOM 0 HA GLU A 10 4.000 -2.731 -12.151 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.448 -3.266 -9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.718 -4.044 -11.074 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.386 -2.473 -11.317 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.078 -1.408 -11.791 1.00 0.00 H new ATOM 133 N TYR A 11 1.895 -3.011 -10.043 1.00 0.00 N ATOM 134 CA TYR A 11 0.814 -3.799 -9.412 1.00 0.00 C ATOM 135 C TYR A 11 -0.331 -3.969 -10.418 1.00 0.00 C ATOM 136 O TYR A 11 -0.360 -3.307 -11.436 1.00 0.00 O ATOM 137 CB TYR A 11 0.352 -3.034 -8.165 1.00 0.00 C ATOM 138 CG TYR A 11 1.317 -3.332 -7.043 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.123 -4.445 -6.214 1.00 0.00 C ATOM 140 CD2 TYR A 11 2.427 -2.500 -6.845 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.038 -4.722 -5.190 1.00 0.00 C ATOM 142 CE2 TYR A 11 3.336 -2.775 -5.820 1.00 0.00 C ATOM 143 CZ TYR A 11 3.143 -3.886 -4.993 1.00 0.00 C ATOM 144 OH TYR A 11 4.044 -4.160 -3.984 1.00 0.00 O ATOM 0 H TYR A 11 1.698 -2.014 -10.134 1.00 0.00 H new ATOM 0 HA TYR A 11 1.156 -4.792 -9.121 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.322 -1.963 -8.366 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.658 -3.335 -7.887 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.269 -5.089 -6.364 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.580 -1.644 -7.486 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.891 -5.581 -4.552 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.188 -2.129 -5.666 1.00 0.00 H new ATOM 0 HH TYR A 11 4.542 -4.975 -4.203 1.00 0.00 H new ATOM 154 N PRO A 12 -1.230 -4.863 -10.107 1.00 0.00 N ATOM 155 CA PRO A 12 -1.189 -5.660 -8.875 1.00 0.00 C ATOM 156 C PRO A 12 -0.408 -6.961 -9.089 1.00 0.00 C ATOM 157 O PRO A 12 -0.208 -7.407 -10.201 1.00 0.00 O ATOM 158 CB PRO A 12 -2.673 -5.943 -8.604 1.00 0.00 C ATOM 159 CG PRO A 12 -3.411 -5.773 -9.964 1.00 0.00 C ATOM 160 CD PRO A 12 -2.391 -5.168 -10.952 1.00 0.00 C ATOM 0 HA PRO A 12 -0.689 -5.155 -8.048 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.810 -6.951 -8.211 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.070 -5.254 -7.859 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.778 -6.733 -10.327 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.277 -5.121 -9.855 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.136 -5.871 -11.745 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.783 -4.272 -11.434 1.00 0.00 H new ATOM 168 N LYS A 13 0.038 -7.567 -8.021 1.00 0.00 N ATOM 169 CA LYS A 13 0.813 -8.838 -8.140 1.00 0.00 C ATOM 170 C LYS A 13 0.042 -9.966 -7.442 1.00 0.00 C ATOM 171 O LYS A 13 -0.628 -9.733 -6.456 1.00 0.00 O ATOM 172 CB LYS A 13 2.189 -8.670 -7.477 1.00 0.00 C ATOM 173 CG LYS A 13 2.517 -7.185 -7.303 1.00 0.00 C ATOM 174 CD LYS A 13 3.920 -7.038 -6.709 1.00 0.00 C ATOM 175 CE LYS A 13 4.933 -6.836 -7.837 1.00 0.00 C ATOM 176 NZ LYS A 13 6.170 -6.210 -7.288 1.00 0.00 N ATOM 0 H LYS A 13 -0.101 -7.235 -7.067 1.00 0.00 H new ATOM 0 HA LYS A 13 0.950 -9.083 -9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.196 -9.167 -6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.955 -9.150 -8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.462 -6.675 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.783 -6.714 -6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.949 -6.191 -6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.176 -7.925 -6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.172 -7.793 -8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.506 -6.202 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.859 -6.072 -8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.935 -5.290 -6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.580 -6.831 -6.561 1.00 0.00 H new ATOM 190 N PRO A 14 0.153 -11.157 -7.981 1.00 0.00 N ATOM 191 CA PRO A 14 -0.533 -12.346 -7.434 1.00 0.00 C ATOM 192 C PRO A 14 0.209 -12.891 -6.208 1.00 0.00 C ATOM 193 O PRO A 14 -0.036 -13.995 -5.762 1.00 0.00 O ATOM 194 CB PRO A 14 -0.486 -13.349 -8.588 1.00 0.00 C ATOM 195 CG PRO A 14 0.689 -12.915 -9.494 1.00 0.00 C ATOM 196 CD PRO A 14 0.958 -11.430 -9.193 1.00 0.00 C ATOM 0 HA PRO A 14 -1.547 -12.132 -7.097 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.336 -14.363 -8.216 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.425 -13.348 -9.142 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.575 -13.517 -9.293 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.439 -13.057 -10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.018 -11.244 -9.018 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.656 -10.793 -10.024 1.00 0.00 H new ATOM 204 N ALA A 15 1.108 -12.126 -5.664 1.00 0.00 N ATOM 205 CA ALA A 15 1.865 -12.592 -4.467 1.00 0.00 C ATOM 206 C ALA A 15 2.202 -11.390 -3.581 1.00 0.00 C ATOM 207 O ALA A 15 2.776 -10.418 -4.031 1.00 0.00 O ATOM 208 CB ALA A 15 3.160 -13.272 -4.918 1.00 0.00 C ATOM 0 H ALA A 15 1.355 -11.194 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 15 1.259 -13.301 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.715 -13.613 -4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.921 -14.126 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.768 -12.562 -5.479 1.00 0.00 H new ATOM 214 N CYS A 16 1.845 -11.441 -2.325 1.00 0.00 N ATOM 215 CA CYS A 16 2.145 -10.292 -1.425 1.00 0.00 C ATOM 216 C CYS A 16 3.434 -10.557 -0.647 1.00 0.00 C ATOM 217 O CYS A 16 3.994 -9.666 -0.039 1.00 0.00 O ATOM 218 CB CYS A 16 0.991 -10.087 -0.443 1.00 0.00 C ATOM 219 SG CYS A 16 0.390 -8.393 -0.592 1.00 0.00 S ATOM 0 H CYS A 16 1.361 -12.225 -1.886 1.00 0.00 H new ATOM 0 HA CYS A 16 2.270 -9.395 -2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.187 -10.792 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.325 -10.280 0.576 1.00 0.00 H new ATOM 224 N THR A 17 3.903 -11.776 -0.670 1.00 0.00 N ATOM 225 CA THR A 17 5.163 -12.135 0.052 1.00 0.00 C ATOM 226 C THR A 17 4.840 -12.496 1.503 1.00 0.00 C ATOM 227 O THR A 17 5.246 -13.528 1.992 1.00 0.00 O ATOM 228 CB THR A 17 6.169 -10.976 -0.069 1.00 0.00 C ATOM 229 OG1 THR A 17 7.428 -11.489 -0.478 1.00 0.00 O ATOM 230 CG2 THR A 17 6.333 -10.231 1.250 1.00 0.00 C ATOM 0 H THR A 17 3.461 -12.551 -1.165 1.00 0.00 H new ATOM 0 HA THR A 17 5.627 -13.013 -0.397 1.00 0.00 H new ATOM 0 HB THR A 17 5.785 -10.272 -0.808 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.071 -10.753 -0.558 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.051 -9.421 1.123 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.372 -9.819 1.557 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.694 -10.919 2.014 1.00 0.00 H new ATOM 238 N LEU A 18 4.067 -11.666 2.140 1.00 0.00 N ATOM 239 CA LEU A 18 3.595 -11.911 3.564 1.00 0.00 C ATOM 240 C LEU A 18 4.307 -11.035 4.611 1.00 0.00 C ATOM 241 O LEU A 18 4.067 -11.185 5.792 1.00 0.00 O ATOM 242 CB LEU A 18 3.768 -13.378 3.967 1.00 0.00 C ATOM 243 CG LEU A 18 3.001 -14.279 2.995 1.00 0.00 C ATOM 244 CD1 LEU A 18 3.668 -15.655 2.935 1.00 0.00 C ATOM 245 CD2 LEU A 18 1.559 -14.437 3.479 1.00 0.00 C ATOM 0 H LEU A 18 3.723 -10.796 1.735 1.00 0.00 H new ATOM 0 HA LEU A 18 2.539 -11.639 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.825 -13.643 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.403 -13.531 4.983 1.00 0.00 H new ATOM 0 HG LEU A 18 3.008 -13.828 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.121 -16.295 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.697 -15.546 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.662 -16.106 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.012 -15.078 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.556 -14.887 4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.081 -13.459 3.523 1.00 0.00 H new ATOM 257 N GLU A 19 5.155 -10.124 4.230 1.00 0.00 N ATOM 258 CA GLU A 19 5.815 -9.277 5.271 1.00 0.00 C ATOM 259 C GLU A 19 4.727 -8.530 6.044 1.00 0.00 C ATOM 260 O GLU A 19 3.578 -8.922 6.035 1.00 0.00 O ATOM 261 CB GLU A 19 6.767 -8.265 4.616 1.00 0.00 C ATOM 262 CG GLU A 19 7.907 -8.990 3.882 1.00 0.00 C ATOM 263 CD GLU A 19 8.209 -10.341 4.544 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.646 -10.335 5.682 1.00 0.00 O ATOM 265 OE2 GLU A 19 7.990 -11.354 3.900 1.00 0.00 O ATOM 0 H GLU A 19 5.419 -9.928 3.265 1.00 0.00 H new ATOM 0 HA GLU A 19 6.395 -9.909 5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.215 -7.640 3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.180 -7.602 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.633 -9.144 2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.803 -8.369 3.888 1.00 0.00 H new ATOM 272 N TYR A 20 5.060 -7.459 6.712 1.00 0.00 N ATOM 273 CA TYR A 20 4.009 -6.724 7.466 1.00 0.00 C ATOM 274 C TYR A 20 4.315 -5.225 7.499 1.00 0.00 C ATOM 275 O TYR A 20 4.847 -4.706 8.461 1.00 0.00 O ATOM 276 CB TYR A 20 3.920 -7.262 8.896 1.00 0.00 C ATOM 277 CG TYR A 20 2.663 -6.737 9.552 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.453 -6.721 8.844 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.707 -6.261 10.868 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.290 -6.230 9.451 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.545 -5.770 11.475 1.00 0.00 C ATOM 282 CZ TYR A 20 0.337 -5.753 10.768 1.00 0.00 C ATOM 283 OH TYR A 20 -0.807 -5.266 11.369 1.00 0.00 O ATOM 0 H TYR A 20 6.000 -7.067 6.768 1.00 0.00 H new ATOM 0 HA TYR A 20 3.055 -6.875 6.961 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.911 -8.352 8.886 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.797 -6.956 9.467 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.418 -7.088 7.829 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.638 -6.273 11.415 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.642 -6.219 8.905 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.581 -5.404 12.490 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.761 -5.423 12.335 1.00 0.00 H new ATOM 293 N ARG A 21 3.950 -4.522 6.464 1.00 0.00 N ATOM 294 CA ARG A 21 4.174 -3.051 6.427 1.00 0.00 C ATOM 295 C ARG A 21 2.803 -2.388 6.303 1.00 0.00 C ATOM 296 O ARG A 21 2.338 -2.114 5.217 1.00 0.00 O ATOM 297 CB ARG A 21 5.042 -2.683 5.220 1.00 0.00 C ATOM 298 CG ARG A 21 6.088 -3.776 4.985 1.00 0.00 C ATOM 299 CD ARG A 21 7.485 -3.154 4.970 1.00 0.00 C ATOM 300 NE ARG A 21 7.790 -2.655 3.599 1.00 0.00 N ATOM 301 CZ ARG A 21 8.980 -2.828 3.092 1.00 0.00 C ATOM 302 NH1 ARG A 21 10.021 -2.296 3.672 1.00 0.00 N ATOM 303 NH2 ARG A 21 9.126 -3.532 2.003 1.00 0.00 N ATOM 0 H ARG A 21 3.501 -4.908 5.633 1.00 0.00 H new ATOM 0 HA ARG A 21 4.687 -2.716 7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.419 -2.566 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.534 -1.726 5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.023 -4.530 5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.894 -4.282 4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.538 -2.335 5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.227 -3.892 5.274 1.00 0.00 H new ATOM 0 HE ARG A 21 7.069 -2.179 3.057 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.905 -1.745 4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.951 -2.432 3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.311 -3.946 1.550 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.055 -3.669 1.605 1.00 0.00 H new ATOM 317 N PRO A 22 2.177 -2.180 7.426 1.00 0.00 N ATOM 318 CA PRO A 22 0.828 -1.601 7.472 1.00 0.00 C ATOM 319 C PRO A 22 0.817 -0.164 6.970 1.00 0.00 C ATOM 320 O PRO A 22 1.089 0.757 7.708 1.00 0.00 O ATOM 321 CB PRO A 22 0.436 -1.702 8.953 1.00 0.00 C ATOM 322 CG PRO A 22 1.757 -1.847 9.739 1.00 0.00 C ATOM 323 CD PRO A 22 2.771 -2.455 8.752 1.00 0.00 C ATOM 0 HA PRO A 22 0.123 -2.121 6.823 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.112 -0.815 9.272 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.216 -2.558 9.126 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.101 -0.880 10.106 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.625 -2.490 10.609 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.754 -1.995 8.854 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.901 -3.524 8.919 1.00 0.00 H new ATOM 331 N LEU A 23 0.480 0.042 5.716 1.00 0.00 N ATOM 332 CA LEU A 23 0.435 1.426 5.192 1.00 0.00 C ATOM 333 C LEU A 23 -1.014 1.885 5.253 1.00 0.00 C ATOM 334 O LEU A 23 -1.903 1.246 4.724 1.00 0.00 O ATOM 335 CB LEU A 23 0.930 1.447 3.746 1.00 0.00 C ATOM 336 CG LEU A 23 2.165 0.556 3.619 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.129 -0.171 2.278 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.424 1.417 3.700 1.00 0.00 C ATOM 0 H LEU A 23 0.238 -0.688 5.046 1.00 0.00 H new ATOM 0 HA LEU A 23 1.073 2.086 5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.145 1.097 3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.172 2.467 3.448 1.00 0.00 H new ATOM 0 HG LEU A 23 2.173 -0.174 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.009 -0.807 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.230 -0.785 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.122 0.559 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.305 0.782 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.418 2.147 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.448 1.937 4.658 1.00 0.00 H new ATOM 350 N CYS A 24 -1.266 2.966 5.927 1.00 0.00 N ATOM 351 CA CYS A 24 -2.667 3.443 6.059 1.00 0.00 C ATOM 352 C CYS A 24 -3.011 4.380 4.913 1.00 0.00 C ATOM 353 O CYS A 24 -2.444 5.444 4.768 1.00 0.00 O ATOM 354 CB CYS A 24 -2.822 4.147 7.402 1.00 0.00 C ATOM 355 SG CYS A 24 -2.983 2.892 8.666 1.00 0.00 S ATOM 0 H CYS A 24 -0.564 3.541 6.393 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.353 2.597 6.016 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.958 4.781 7.602 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.698 4.795 7.394 1.00 0.00 H new ATOM 360 N GLY A 25 -3.943 3.987 4.095 1.00 0.00 N ATOM 361 CA GLY A 25 -4.338 4.842 2.954 1.00 0.00 C ATOM 362 C GLY A 25 -4.595 6.259 3.472 1.00 0.00 C ATOM 363 O GLY A 25 -4.508 6.511 4.657 1.00 0.00 O ATOM 0 H GLY A 25 -4.449 3.105 4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.552 4.852 2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.234 4.445 2.476 1.00 0.00 H new ATOM 367 N SER A 26 -4.953 7.183 2.622 1.00 0.00 N ATOM 368 CA SER A 26 -5.249 8.547 3.143 1.00 0.00 C ATOM 369 C SER A 26 -6.679 8.546 3.692 1.00 0.00 C ATOM 370 O SER A 26 -7.176 9.550 4.163 1.00 0.00 O ATOM 371 CB SER A 26 -5.135 9.577 2.024 1.00 0.00 C ATOM 372 OG SER A 26 -5.113 8.911 0.779 1.00 0.00 O ATOM 0 H SER A 26 -5.052 7.058 1.614 1.00 0.00 H new ATOM 0 HA SER A 26 -4.536 8.807 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.976 10.270 2.064 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.228 10.169 2.149 1.00 0.00 H new ATOM 0 HG SER A 26 -5.923 8.368 0.684 1.00 0.00 H new ATOM 378 N ASP A 27 -7.345 7.418 3.632 1.00 0.00 N ATOM 379 CA ASP A 27 -8.742 7.337 4.144 1.00 0.00 C ATOM 380 C ASP A 27 -8.761 6.550 5.459 1.00 0.00 C ATOM 381 O ASP A 27 -9.798 6.381 6.068 1.00 0.00 O ATOM 382 CB ASP A 27 -9.624 6.630 3.112 1.00 0.00 C ATOM 383 CG ASP A 27 -9.116 5.202 2.898 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.263 4.777 3.661 1.00 0.00 O ATOM 385 OD2 ASP A 27 -9.586 4.559 1.974 1.00 0.00 O ATOM 0 H ASP A 27 -6.976 6.548 3.248 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.123 8.343 4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.659 6.612 3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.609 7.177 2.170 1.00 0.00 H new ATOM 390 N ASN A 28 -7.617 6.077 5.895 1.00 0.00 N ATOM 391 CA ASN A 28 -7.535 5.309 7.178 1.00 0.00 C ATOM 392 C ASN A 28 -7.784 3.814 6.935 1.00 0.00 C ATOM 393 O ASN A 28 -8.431 3.151 7.722 1.00 0.00 O ATOM 394 CB ASN A 28 -8.562 5.844 8.181 1.00 0.00 C ATOM 395 CG ASN A 28 -8.187 5.389 9.591 1.00 0.00 C ATOM 396 OD1 ASN A 28 -7.285 5.933 10.197 1.00 0.00 O ATOM 397 ND2 ASN A 28 -8.845 4.407 10.143 1.00 0.00 N ATOM 0 H ASN A 28 -6.727 6.192 5.410 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.532 5.436 7.585 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.596 6.933 8.136 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.558 5.483 7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.602 4.096 11.084 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.602 3.951 9.634 1.00 0.00 H new ATOM 404 N LYS A 29 -7.256 3.273 5.870 1.00 0.00 N ATOM 405 CA LYS A 29 -7.442 1.815 5.602 1.00 0.00 C ATOM 406 C LYS A 29 -6.085 1.120 5.758 1.00 0.00 C ATOM 407 O LYS A 29 -5.165 1.362 5.005 1.00 0.00 O ATOM 408 CB LYS A 29 -7.971 1.609 4.182 1.00 0.00 C ATOM 409 CG LYS A 29 -9.023 0.498 4.188 1.00 0.00 C ATOM 410 CD LYS A 29 -10.416 1.114 4.343 1.00 0.00 C ATOM 411 CE LYS A 29 -11.202 0.934 3.044 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.767 2.245 2.618 1.00 0.00 N ATOM 0 H LYS A 29 -6.705 3.775 5.174 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.162 1.395 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.406 2.535 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.153 1.346 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.968 -0.074 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.828 -0.197 5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.945 0.639 5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.332 2.173 4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.551 0.536 2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.004 0.210 3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.330 2.116 1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.374 2.623 3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.992 2.913 2.430 1.00 0.00 H new ATOM 426 N THR A 30 -5.942 0.279 6.747 1.00 0.00 N ATOM 427 CA THR A 30 -4.630 -0.398 6.966 1.00 0.00 C ATOM 428 C THR A 30 -4.425 -1.555 5.983 1.00 0.00 C ATOM 429 O THR A 30 -5.243 -2.446 5.869 1.00 0.00 O ATOM 430 CB THR A 30 -4.568 -0.947 8.395 1.00 0.00 C ATOM 431 OG1 THR A 30 -5.052 0.032 9.301 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.119 -1.299 8.741 1.00 0.00 C ATOM 0 H THR A 30 -6.675 0.032 7.412 1.00 0.00 H new ATOM 0 HA THR A 30 -3.843 0.339 6.805 1.00 0.00 H new ATOM 0 HB THR A 30 -5.186 -1.842 8.470 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.718 0.915 9.037 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.072 -1.690 9.757 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.752 -2.053 8.045 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.500 -0.405 8.667 1.00 0.00 H new ATOM 440 N TYR A 31 -3.308 -1.557 5.302 1.00 0.00 N ATOM 441 CA TYR A 31 -2.992 -2.665 4.354 1.00 0.00 C ATOM 442 C TYR A 31 -1.771 -3.399 4.910 1.00 0.00 C ATOM 443 O TYR A 31 -0.753 -2.797 5.172 1.00 0.00 O ATOM 444 CB TYR A 31 -2.698 -2.091 2.968 1.00 0.00 C ATOM 445 CG TYR A 31 -4.006 -1.869 2.244 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.702 -0.663 2.402 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.527 -2.874 1.421 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.918 -0.465 1.736 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.742 -2.675 0.755 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.438 -1.470 0.912 1.00 0.00 C ATOM 451 OH TYR A 31 -7.637 -1.276 0.257 1.00 0.00 O ATOM 0 H TYR A 31 -2.595 -0.830 5.364 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.832 -3.353 4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.152 -1.152 3.057 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.065 -2.775 2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.301 0.113 3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.991 -3.804 1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.455 0.464 1.858 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.143 -3.451 0.120 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.852 -2.071 -0.274 1.00 0.00 H new ATOM 461 N GLY A 32 -1.884 -4.681 5.138 1.00 0.00 N ATOM 462 CA GLY A 32 -0.755 -5.449 5.741 1.00 0.00 C ATOM 463 C GLY A 32 0.602 -4.943 5.257 1.00 0.00 C ATOM 464 O GLY A 32 1.434 -4.552 6.051 1.00 0.00 O ATOM 0 H GLY A 32 -2.716 -5.233 4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.804 -5.373 6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.859 -6.505 5.490 1.00 0.00 H new ATOM 468 N ASN A 33 0.854 -4.943 3.981 1.00 0.00 N ATOM 469 CA ASN A 33 2.186 -4.454 3.522 1.00 0.00 C ATOM 470 C ASN A 33 2.063 -3.642 2.239 1.00 0.00 C ATOM 471 O ASN A 33 0.995 -3.249 1.826 1.00 0.00 O ATOM 472 CB ASN A 33 3.146 -5.626 3.303 1.00 0.00 C ATOM 473 CG ASN A 33 2.541 -6.648 2.353 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.427 -6.492 1.895 1.00 0.00 O ATOM 475 ND2 ASN A 33 3.244 -7.698 2.035 1.00 0.00 N ATOM 0 H ASN A 33 0.215 -5.252 3.249 1.00 0.00 H new ATOM 0 HA ASN A 33 2.586 -3.808 4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.089 -5.259 2.897 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.373 -6.100 4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.859 -8.395 1.398 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.179 -7.823 2.423 1.00 0.00 H new ATOM 482 N LYS A 34 3.179 -3.369 1.637 1.00 0.00 N ATOM 483 CA LYS A 34 3.226 -2.562 0.402 1.00 0.00 C ATOM 484 C LYS A 34 2.373 -3.160 -0.714 1.00 0.00 C ATOM 485 O LYS A 34 1.695 -2.446 -1.415 1.00 0.00 O ATOM 486 CB LYS A 34 4.677 -2.537 -0.043 1.00 0.00 C ATOM 487 CG LYS A 34 5.052 -3.914 -0.606 1.00 0.00 C ATOM 488 CD LYS A 34 6.553 -3.961 -0.888 1.00 0.00 C ATOM 489 CE LYS A 34 6.796 -3.700 -2.377 1.00 0.00 C ATOM 490 NZ LYS A 34 7.005 -2.241 -2.597 1.00 0.00 N ATOM 0 H LYS A 34 4.092 -3.685 1.965 1.00 0.00 H new ATOM 0 HA LYS A 34 2.831 -1.566 0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.825 -1.768 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.324 -2.285 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.781 -4.695 0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.493 -4.108 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.071 -3.214 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.957 -4.933 -0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.668 -4.259 -2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.945 -4.049 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.390 -1.915 -3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.772 -1.722 -1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.999 -2.067 -2.848 1.00 0.00 H new ATOM 504 N CYS A 35 2.421 -4.444 -0.920 1.00 0.00 N ATOM 505 CA CYS A 35 1.622 -5.031 -2.018 1.00 0.00 C ATOM 506 C CYS A 35 0.137 -4.946 -1.672 1.00 0.00 C ATOM 507 O CYS A 35 -0.660 -4.535 -2.480 1.00 0.00 O ATOM 508 CB CYS A 35 2.035 -6.479 -2.227 1.00 0.00 C ATOM 509 SG CYS A 35 2.090 -7.314 -0.634 1.00 0.00 S ATOM 0 H CYS A 35 2.976 -5.106 -0.378 1.00 0.00 H new ATOM 0 HA CYS A 35 1.800 -4.477 -2.939 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.328 -6.979 -2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.011 -6.525 -2.709 1.00 0.00 H new ATOM 514 N ASN A 36 -0.250 -5.320 -0.479 1.00 0.00 N ATOM 515 CA ASN A 36 -1.696 -5.226 -0.117 1.00 0.00 C ATOM 516 C ASN A 36 -2.162 -3.772 -0.296 1.00 0.00 C ATOM 517 O ASN A 36 -3.269 -3.507 -0.721 1.00 0.00 O ATOM 518 CB ASN A 36 -1.893 -5.639 1.343 1.00 0.00 C ATOM 519 CG ASN A 36 -2.199 -7.134 1.414 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.325 -7.550 1.226 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.233 -7.961 1.683 1.00 0.00 N ATOM 0 H ASN A 36 0.364 -5.682 0.251 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.275 -5.888 -0.760 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.996 -5.413 1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.709 -5.069 1.786 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.419 -8.962 1.737 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.289 -7.609 1.840 1.00 0.00 H new ATOM 528 N PHE A 37 -1.310 -2.834 0.030 1.00 0.00 N ATOM 529 CA PHE A 37 -1.660 -1.384 -0.101 1.00 0.00 C ATOM 530 C PHE A 37 -1.567 -0.962 -1.541 1.00 0.00 C ATOM 531 O PHE A 37 -2.212 -0.039 -2.004 1.00 0.00 O ATOM 532 CB PHE A 37 -0.646 -0.574 0.695 1.00 0.00 C ATOM 533 CG PHE A 37 -1.106 0.851 0.768 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.154 1.251 1.594 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.469 1.770 -0.057 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.565 2.592 1.591 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.865 3.103 -0.068 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.919 3.523 0.755 1.00 0.00 C ATOM 0 H PHE A 37 -0.371 -3.013 0.387 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.673 -1.220 0.265 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.539 -0.987 1.698 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.334 -0.629 0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.647 0.533 2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.340 1.446 -0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.376 2.910 2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.362 3.812 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.234 4.556 0.748 1.00 0.00 H new ATOM 548 N CYS A 38 -0.739 -1.632 -2.228 1.00 0.00 N ATOM 549 CA CYS A 38 -0.517 -1.300 -3.663 1.00 0.00 C ATOM 550 C CYS A 38 -1.635 -1.908 -4.515 1.00 0.00 C ATOM 551 O CYS A 38 -1.928 -1.439 -5.597 1.00 0.00 O ATOM 552 CB CYS A 38 0.837 -1.846 -4.121 1.00 0.00 C ATOM 553 SG CYS A 38 2.131 -0.628 -3.772 1.00 0.00 S ATOM 0 H CYS A 38 -0.186 -2.412 -1.873 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.524 -0.217 -3.783 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.056 -2.782 -3.607 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.810 -2.067 -5.188 1.00 0.00 H new ATOM 558 N ASN A 39 -2.272 -2.938 -4.029 1.00 0.00 N ATOM 559 CA ASN A 39 -3.378 -3.562 -4.800 1.00 0.00 C ATOM 560 C ASN A 39 -4.586 -2.637 -4.706 1.00 0.00 C ATOM 561 O ASN A 39 -5.442 -2.615 -5.568 1.00 0.00 O ATOM 562 CB ASN A 39 -3.722 -4.930 -4.205 1.00 0.00 C ATOM 563 CG ASN A 39 -2.652 -5.947 -4.614 1.00 0.00 C ATOM 564 OD1 ASN A 39 -1.936 -5.741 -5.573 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.514 -7.044 -3.920 1.00 0.00 N ATOM 0 H ASN A 39 -2.072 -3.374 -3.129 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.085 -3.705 -5.840 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.779 -4.862 -3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.701 -5.255 -4.556 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.805 -7.728 -4.183 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.115 -7.217 -3.115 1.00 0.00 H new ATOM 572 N ALA A 40 -4.638 -1.848 -3.670 1.00 0.00 N ATOM 573 CA ALA A 40 -5.761 -0.893 -3.520 1.00 0.00 C ATOM 574 C ALA A 40 -5.471 0.305 -4.419 1.00 0.00 C ATOM 575 O ALA A 40 -6.346 0.840 -5.072 1.00 0.00 O ATOM 576 CB ALA A 40 -5.853 -0.439 -2.062 1.00 0.00 C ATOM 0 H ALA A 40 -3.947 -1.826 -2.920 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.706 -1.359 -3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.679 0.264 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.024 -1.304 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.921 0.048 -1.773 1.00 0.00 H new ATOM 582 N VAL A 41 -4.233 0.713 -4.468 1.00 0.00 N ATOM 583 CA VAL A 41 -3.852 1.858 -5.337 1.00 0.00 C ATOM 584 C VAL A 41 -4.118 1.485 -6.797 1.00 0.00 C ATOM 585 O VAL A 41 -4.511 2.306 -7.601 1.00 0.00 O ATOM 586 CB VAL A 41 -2.359 2.144 -5.155 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.969 3.377 -5.971 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.060 2.389 -3.673 1.00 0.00 C ATOM 0 H VAL A 41 -3.465 0.299 -3.939 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.434 2.740 -5.069 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.782 1.287 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.906 3.579 -5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.177 3.196 -7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.546 4.236 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.997 2.592 -3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.638 3.244 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.332 1.505 -3.096 1.00 0.00 H new ATOM 598 N VAL A 42 -3.892 0.246 -7.141 1.00 0.00 N ATOM 599 CA VAL A 42 -4.113 -0.200 -8.548 1.00 0.00 C ATOM 600 C VAL A 42 -5.609 -0.380 -8.822 1.00 0.00 C ATOM 601 O VAL A 42 -6.094 -0.057 -9.888 1.00 0.00 O ATOM 602 CB VAL A 42 -3.398 -1.535 -8.780 1.00 0.00 C ATOM 603 CG1 VAL A 42 -1.892 -1.333 -8.661 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.848 -2.555 -7.735 1.00 0.00 C ATOM 0 H VAL A 42 -3.562 -0.480 -6.505 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.715 0.559 -9.222 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.645 -1.902 -9.776 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.383 -2.283 -8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.562 -0.610 -9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.652 -0.961 -7.665 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.336 -3.502 -7.906 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.605 -2.186 -6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.925 -2.706 -7.814 1.00 0.00 H new ATOM 614 N GLU A 43 -6.342 -0.900 -7.877 1.00 0.00 N ATOM 615 CA GLU A 43 -7.799 -1.106 -8.099 1.00 0.00 C ATOM 616 C GLU A 43 -8.567 0.133 -7.641 1.00 0.00 C ATOM 617 O GLU A 43 -9.770 0.100 -7.467 1.00 0.00 O ATOM 618 CB GLU A 43 -8.276 -2.318 -7.297 1.00 0.00 C ATOM 619 CG GLU A 43 -9.275 -3.110 -8.132 1.00 0.00 C ATOM 620 CD GLU A 43 -8.534 -4.134 -8.993 1.00 0.00 C ATOM 621 OE1 GLU A 43 -7.351 -4.326 -8.763 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.161 -4.709 -9.867 1.00 0.00 O ATOM 0 H GLU A 43 -5.995 -1.190 -6.963 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.979 -1.277 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.428 -2.948 -7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.739 -1.993 -6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.987 -3.616 -7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.849 -2.435 -8.767 1.00 0.00 H new ATOM 629 N SER A 44 -7.886 1.224 -7.436 1.00 0.00 N ATOM 630 CA SER A 44 -8.584 2.458 -6.980 1.00 0.00 C ATOM 631 C SER A 44 -8.209 3.630 -7.886 1.00 0.00 C ATOM 632 O SER A 44 -8.598 4.756 -7.650 1.00 0.00 O ATOM 633 CB SER A 44 -8.165 2.770 -5.544 1.00 0.00 C ATOM 634 OG SER A 44 -8.915 3.877 -5.065 1.00 0.00 O ATOM 0 H SER A 44 -6.878 1.316 -7.564 1.00 0.00 H new ATOM 0 HA SER A 44 -9.662 2.303 -7.024 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.332 1.901 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.099 2.994 -5.505 1.00 0.00 H new ATOM 0 HG SER A 44 -9.210 4.424 -5.822 1.00 0.00 H new ATOM 640 N ASN A 45 -7.448 3.380 -8.916 1.00 0.00 N ATOM 641 CA ASN A 45 -7.043 4.487 -9.824 1.00 0.00 C ATOM 642 C ASN A 45 -6.082 5.416 -9.079 1.00 0.00 C ATOM 643 O ASN A 45 -5.783 6.506 -9.526 1.00 0.00 O ATOM 644 CB ASN A 45 -8.275 5.279 -10.268 1.00 0.00 C ATOM 645 CG ASN A 45 -8.575 4.981 -11.737 1.00 0.00 C ATOM 646 OD1 ASN A 45 -8.331 5.801 -12.599 1.00 0.00 O ATOM 647 ND2 ASN A 45 -9.100 3.832 -12.061 1.00 0.00 N ATOM 0 H ASN A 45 -7.090 2.458 -9.167 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.553 4.072 -10.705 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -9.133 5.013 -9.650 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.102 6.346 -10.131 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.305 3.622 -13.038 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.305 3.143 -11.338 1.00 0.00 H new ATOM 654 N GLY A 46 -5.601 4.993 -7.942 1.00 0.00 N ATOM 655 CA GLY A 46 -4.664 5.847 -7.159 1.00 0.00 C ATOM 656 C GLY A 46 -5.462 6.851 -6.332 1.00 0.00 C ATOM 657 O GLY A 46 -4.926 7.805 -5.804 1.00 0.00 O ATOM 0 H GLY A 46 -5.817 4.090 -7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.050 5.227 -6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.985 6.371 -7.831 1.00 0.00 H new ATOM 661 N THR A 47 -6.741 6.632 -6.198 1.00 0.00 N ATOM 662 CA THR A 47 -7.574 7.559 -5.386 1.00 0.00 C ATOM 663 C THR A 47 -7.394 7.216 -3.905 1.00 0.00 C ATOM 664 O THR A 47 -7.874 7.910 -3.031 1.00 0.00 O ATOM 665 CB THR A 47 -9.044 7.396 -5.775 1.00 0.00 C ATOM 666 OG1 THR A 47 -9.513 6.131 -5.329 1.00 0.00 O ATOM 667 CG2 THR A 47 -9.187 7.488 -7.294 1.00 0.00 C ATOM 0 H THR A 47 -7.244 5.850 -6.617 1.00 0.00 H new ATOM 0 HA THR A 47 -7.268 8.589 -5.567 1.00 0.00 H new ATOM 0 HB THR A 47 -9.632 8.187 -5.310 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.796 5.667 -4.849 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.235 7.372 -7.568 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.828 8.459 -7.635 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.599 6.699 -7.763 1.00 0.00 H new ATOM 675 N LEU A 48 -6.699 6.145 -3.622 1.00 0.00 N ATOM 676 CA LEU A 48 -6.474 5.744 -2.210 1.00 0.00 C ATOM 677 C LEU A 48 -5.335 6.583 -1.635 1.00 0.00 C ATOM 678 O LEU A 48 -5.547 7.507 -0.889 1.00 0.00 O ATOM 679 CB LEU A 48 -6.110 4.251 -2.181 1.00 0.00 C ATOM 680 CG LEU A 48 -5.326 3.909 -0.911 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.087 4.413 0.313 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.151 2.392 -0.815 1.00 0.00 C ATOM 0 H LEU A 48 -6.276 5.529 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.370 5.908 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.018 3.649 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.516 3.999 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.347 4.387 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.527 4.168 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.211 5.494 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.067 3.937 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.593 2.147 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.130 1.914 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.605 2.033 -1.687 1.00 0.00 H new ATOM 694 N THR A 49 -4.131 6.238 -1.976 1.00 0.00 N ATOM 695 CA THR A 49 -2.933 6.962 -1.468 1.00 0.00 C ATOM 696 C THR A 49 -2.862 6.727 0.029 1.00 0.00 C ATOM 697 O THR A 49 -3.711 6.076 0.586 1.00 0.00 O ATOM 698 CB THR A 49 -3.007 8.472 -1.763 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.243 9.185 -0.557 1.00 0.00 O ATOM 700 CG2 THR A 49 -4.126 8.778 -2.762 1.00 0.00 C ATOM 0 H THR A 49 -3.918 5.462 -2.604 1.00 0.00 H new ATOM 0 HA THR A 49 -2.042 6.587 -1.970 1.00 0.00 H new ATOM 0 HB THR A 49 -2.057 8.784 -2.197 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.126 8.947 -0.204 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.159 9.850 -2.955 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.936 8.247 -3.695 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.081 8.454 -2.349 1.00 0.00 H new ATOM 708 N LEU A 50 -1.856 7.207 0.686 1.00 0.00 N ATOM 709 CA LEU A 50 -1.761 6.966 2.132 1.00 0.00 C ATOM 710 C LEU A 50 -1.496 8.284 2.864 1.00 0.00 C ATOM 711 O LEU A 50 -1.148 9.283 2.267 1.00 0.00 O ATOM 712 CB LEU A 50 -0.666 5.925 2.338 1.00 0.00 C ATOM 713 CG LEU A 50 0.408 6.394 3.303 1.00 0.00 C ATOM 714 CD1 LEU A 50 1.067 5.157 3.865 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.444 7.242 2.558 1.00 0.00 C ATOM 0 H LEU A 50 -1.097 7.755 0.281 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.691 6.581 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.111 5.004 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.209 5.689 1.377 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.022 7.003 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.849 5.448 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.323 4.551 4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.506 4.578 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.212 7.575 3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.904 6.645 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.954 8.110 2.116 1.00 0.00 H new ATOM 727 N SER A 51 -1.677 8.288 4.155 1.00 0.00 N ATOM 728 CA SER A 51 -1.459 9.525 4.936 1.00 0.00 C ATOM 729 C SER A 51 -0.308 9.291 5.910 1.00 0.00 C ATOM 730 O SER A 51 0.346 10.216 6.349 1.00 0.00 O ATOM 731 CB SER A 51 -2.731 9.864 5.721 1.00 0.00 C ATOM 732 OG SER A 51 -3.227 11.127 5.298 1.00 0.00 O ATOM 0 H SER A 51 -1.969 7.478 4.702 1.00 0.00 H new ATOM 0 HA SER A 51 -1.219 10.351 4.267 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.485 9.093 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.517 9.885 6.790 1.00 0.00 H new ATOM 0 HG SER A 51 -4.041 11.343 5.799 1.00 0.00 H new ATOM 738 N HIS A 52 -0.051 8.057 6.252 1.00 0.00 N ATOM 739 CA HIS A 52 1.061 7.772 7.198 1.00 0.00 C ATOM 740 C HIS A 52 1.462 6.296 7.114 1.00 0.00 C ATOM 741 O HIS A 52 0.626 5.414 7.026 1.00 0.00 O ATOM 742 CB HIS A 52 0.613 8.106 8.621 1.00 0.00 C ATOM 743 CG HIS A 52 -0.521 7.202 9.030 1.00 0.00 C ATOM 744 ND1 HIS A 52 -0.473 6.450 10.193 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.742 6.926 8.457 1.00 0.00 C ATOM 746 CE1 HIS A 52 -1.627 5.768 10.285 1.00 0.00 C ATOM 747 NE2 HIS A 52 -2.438 6.023 9.257 1.00 0.00 N ATOM 0 H HIS A 52 -0.561 7.239 5.918 1.00 0.00 H new ATOM 0 HA HIS A 52 1.923 8.384 6.932 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.449 7.989 9.311 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.297 9.148 8.676 1.00 0.00 H new ATOM 0 HD1 HIS A 52 0.299 6.420 10.859 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.104 7.345 7.530 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.869 5.094 11.094 1.00 0.00 H new ATOM 755 N PHE A 53 2.740 6.023 7.144 1.00 0.00 N ATOM 756 CA PHE A 53 3.205 4.611 7.074 1.00 0.00 C ATOM 757 C PHE A 53 3.020 3.956 8.439 1.00 0.00 C ATOM 758 O PHE A 53 3.644 4.332 9.411 1.00 0.00 O ATOM 759 CB PHE A 53 4.685 4.568 6.700 1.00 0.00 C ATOM 760 CG PHE A 53 4.861 4.953 5.253 1.00 0.00 C ATOM 761 CD1 PHE A 53 4.651 6.276 4.850 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.242 3.987 4.313 1.00 0.00 C ATOM 763 CE1 PHE A 53 4.819 6.634 3.507 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.410 4.345 2.971 1.00 0.00 C ATOM 765 CZ PHE A 53 5.199 5.669 2.567 1.00 0.00 C ATOM 0 H PHE A 53 3.481 6.720 7.214 1.00 0.00 H new ATOM 0 HA PHE A 53 2.625 4.079 6.319 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.250 5.248 7.337 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.083 3.568 6.870 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.359 7.021 5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.406 2.966 4.624 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.655 7.655 3.196 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.703 3.600 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.329 5.945 1.531 1.00 0.00 H new ATOM 775 N GLY A 54 2.163 2.983 8.523 1.00 0.00 N ATOM 776 CA GLY A 54 1.924 2.308 9.814 1.00 0.00 C ATOM 777 C GLY A 54 0.448 1.944 9.907 1.00 0.00 C ATOM 778 O GLY A 54 -0.319 2.156 8.989 1.00 0.00 O ATOM 0 H GLY A 54 1.614 2.626 7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.540 1.412 9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.205 2.961 10.640 1.00 0.00 H new ATOM 782 N LYS A 55 0.047 1.421 11.017 1.00 0.00 N ATOM 783 CA LYS A 55 -1.388 1.061 11.200 1.00 0.00 C ATOM 784 C LYS A 55 -2.167 2.324 11.554 1.00 0.00 C ATOM 785 O LYS A 55 -1.634 3.265 12.108 1.00 0.00 O ATOM 786 CB LYS A 55 -1.568 0.013 12.314 1.00 0.00 C ATOM 787 CG LYS A 55 -0.216 -0.395 12.906 1.00 0.00 C ATOM 788 CD LYS A 55 -0.423 -1.493 13.951 1.00 0.00 C ATOM 789 CE LYS A 55 0.873 -2.289 14.113 1.00 0.00 C ATOM 790 NZ LYS A 55 0.545 -3.710 14.420 1.00 0.00 N ATOM 0 H LYS A 55 0.649 1.222 11.816 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.761 0.628 10.272 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.206 0.418 13.100 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.074 -0.866 11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.446 -0.751 12.116 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.268 0.469 13.362 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.714 -1.053 14.905 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.233 -2.154 13.644 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.466 -2.230 13.200 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.477 -1.862 14.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.425 -4.253 14.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.004 -3.757 15.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.015 -4.113 13.642 1.00 0.00 H new ATOM 804 N CYS A 56 -3.412 2.364 11.190 1.00 0.00 N ATOM 805 CA CYS A 56 -4.231 3.578 11.440 1.00 0.00 C ATOM 806 C CYS A 56 -4.788 3.540 12.865 1.00 0.00 C ATOM 807 O CYS A 56 -4.936 4.601 13.449 1.00 0.00 O ATOM 808 CB CYS A 56 -5.391 3.643 10.433 1.00 0.00 C ATOM 809 SG CYS A 56 -4.991 2.734 8.903 1.00 0.00 S ATOM 810 OXT CYS A 56 -5.056 2.452 13.348 1.00 0.00 O ATOM 0 H CYS A 56 -3.904 1.601 10.725 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.604 4.462 11.321 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.291 3.223 10.883 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.610 4.684 10.194 1.00 0.00 H new TER 815 CYS A 56