USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 403 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 52 SER OG : rot 99:sc= 1.2 USER MOD Set 1.2: A 54 SER OG : rot 41:sc= 0.401 USER MOD Set 1.3: A 57 ASN : amide:sc= -2.33! C(o=-0.74!,f=-3.8!) USER MOD Set 2.1: A 8 SER OG : rot -176:sc= 0.891 USER MOD Set 2.2: A 29 LYS NZ :NH3+ -168:sc= 1.64 (180deg=0.893) USER MOD Single : A 1 LYS N :NH3+ 132:sc= 0.0208 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 146:sc= 1.85 (180deg=0.587) USER MOD Single : A 4 TYR OH : rot 141:sc= 1.18 USER MOD Single : A 9 LYS NZ :NH3+ -154:sc= 0.896 (180deg=0.39) USER MOD Single : A 12 LYS NZ :NH3+ -106:sc= -0.151 (180deg=-2.2!) USER MOD Single : A 14 SER OG : rot 110:sc= 1.23 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.544 K(o=-0.54,f=-7.8!) USER MOD Single : A 20 TYR OH : rot 130:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.303 K(o=0.3,f=-0.59) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -166:sc= 0 (180deg=-0.0417) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.186) USER MOD Single : A 31 SER OG : rot -15:sc= -0.0593 USER MOD Single : A 34 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.18) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 169:sc= -0.0517 (180deg=-0.336) USER MOD Single : A 39 SER OG : rot 47:sc= 0.997 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.976 K(o=-0.98,f=-7.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.375 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 10.00 N ATOM 2 CA LYS A 1 1.453 0.000 0.000 1.00 10.00 C ATOM 3 C LYS A 1 1.959 -1.423 -0.247 1.00 10.00 C ATOM 4 O LYS A 1 1.408 -2.383 0.290 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.628 1.288 1.00 10.00 C ATOM 6 CG LYS A 1 3.518 0.597 1.318 1.00 10.00 C ATOM 7 CD LYS A 1 4.058 1.352 2.535 1.00 10.00 C ATOM 8 CE LYS A 1 4.188 2.848 2.238 1.00 10.00 C ATOM 9 NZ LYS A 1 4.754 3.560 3.405 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 0.522 0.830 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 0.458 -0.867 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 -0.980 0.037 1.00 10.00 H new ATOM 0 HA LYS A 1 1.834 0.620 -0.812 1.00 10.00 H new ATOM 0 HB2 LYS A 1 1.641 1.658 1.367 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.594 0.091 2.150 1.00 10.00 H new ATOM 0 HG2 LYS A 1 3.864 -0.436 1.344 1.00 10.00 H new ATOM 0 HG3 LYS A 1 3.912 1.043 0.405 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.392 1.203 3.385 1.00 10.00 H new ATOM 0 HD3 LYS A 1 5.030 0.948 2.817 1.00 10.00 H new ATOM 0 HE2 LYS A 1 4.827 2.998 1.368 1.00 10.00 H new ATOM 0 HE3 LYS A 1 3.211 3.262 1.991 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 5.350 4.346 3.076 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 3.981 3.933 3.992 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 5.329 2.901 3.968 1.00 10.00 H new ATOM 22 N ASP A 2 3.001 -1.513 -1.060 1.00 10.00 N ATOM 23 CA ASP A 2 3.639 -2.793 -1.319 1.00 10.00 C ATOM 24 C ASP A 2 5.121 -2.567 -1.623 1.00 10.00 C ATOM 25 O ASP A 2 5.465 -1.773 -2.498 1.00 10.00 O ATOM 26 CB ASP A 2 3.009 -3.488 -2.528 1.00 10.00 C ATOM 27 CG ASP A 2 1.497 -3.701 -2.435 1.00 10.00 C ATOM 28 OD1 ASP A 2 0.704 -2.833 -2.828 1.00 10.00 O ATOM 29 OD2 ASP A 2 1.136 -4.831 -1.927 1.00 10.00 O ATOM 0 H ASP A 2 3.419 -0.721 -1.548 1.00 10.00 H new ATOM 0 HA ASP A 2 3.510 -3.419 -0.436 1.00 10.00 H new ATOM 0 HB2 ASP A 2 3.224 -2.899 -3.420 1.00 10.00 H new ATOM 0 HB3 ASP A 2 3.490 -4.457 -2.663 1.00 10.00 H new ATOM 35 N GLY A 3 5.960 -3.279 -0.884 1.00 10.00 N ATOM 36 CA GLY A 3 7.384 -2.993 -0.883 1.00 10.00 C ATOM 37 C GLY A 3 8.131 -3.933 0.065 1.00 10.00 C ATOM 38 O GLY A 3 7.636 -5.009 0.396 1.00 10.00 O ATOM 0 H GLY A 3 5.680 -4.053 -0.282 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.781 -3.099 -1.893 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.551 -1.959 -0.582 1.00 10.00 H new ATOM 42 N TYR A 4 9.312 -3.492 0.475 1.00 10.00 N ATOM 43 CA TYR A 4 10.141 -4.289 1.363 1.00 10.00 C ATOM 44 C TYR A 4 10.424 -3.541 2.668 1.00 10.00 C ATOM 45 O TYR A 4 11.347 -2.731 2.735 1.00 10.00 O ATOM 46 CB TYR A 4 11.460 -4.513 0.621 1.00 10.00 C ATOM 47 CG TYR A 4 11.314 -5.298 -0.684 1.00 10.00 C ATOM 48 CD1 TYR A 4 10.917 -4.652 -1.837 1.00 10.00 C ATOM 49 CD2 TYR A 4 11.579 -6.652 -0.708 1.00 10.00 C ATOM 50 CE1 TYR A 4 10.780 -5.390 -3.066 1.00 10.00 C ATOM 51 CE2 TYR A 4 11.441 -7.391 -1.937 1.00 10.00 C ATOM 52 CZ TYR A 4 11.049 -6.723 -3.055 1.00 10.00 C ATOM 53 OH TYR A 4 10.919 -7.421 -4.215 1.00 10.00 O ATOM 0 H TYR A 4 9.714 -2.593 0.208 1.00 10.00 H new ATOM 0 HA TYR A 4 9.641 -5.223 1.618 1.00 10.00 H new ATOM 0 HB2 TYR A 4 11.911 -3.545 0.402 1.00 10.00 H new ATOM 0 HB3 TYR A 4 12.149 -5.044 1.278 1.00 10.00 H new ATOM 0 HD1 TYR A 4 10.709 -3.592 -1.818 1.00 10.00 H new ATOM 0 HD2 TYR A 4 11.890 -7.158 0.194 1.00 10.00 H new ATOM 0 HE1 TYR A 4 10.471 -4.896 -3.975 1.00 10.00 H new ATOM 0 HE2 TYR A 4 11.644 -8.451 -1.970 1.00 10.00 H new ATOM 0 HH TYR A 4 11.646 -8.075 -4.287 1.00 10.00 H new ATOM 63 N PRO A 5 9.590 -3.846 3.698 1.00 10.00 N ATOM 64 CA PRO A 5 9.636 -3.100 4.944 1.00 10.00 C ATOM 65 C PRO A 5 10.861 -3.491 5.773 1.00 10.00 C ATOM 66 O PRO A 5 11.210 -4.667 5.854 1.00 10.00 O ATOM 67 CB PRO A 5 8.322 -3.416 5.640 1.00 10.00 C ATOM 68 CG PRO A 5 7.796 -4.682 4.983 1.00 10.00 C ATOM 69 CD PRO A 5 8.587 -4.906 3.704 1.00 10.00 C ATOM 0 HA PRO A 5 9.741 -2.026 4.788 1.00 10.00 H new ATOM 0 HB2 PRO A 5 8.472 -3.564 6.709 1.00 10.00 H new ATOM 0 HB3 PRO A 5 7.614 -2.595 5.529 1.00 10.00 H new ATOM 0 HG2 PRO A 5 7.905 -5.534 5.654 1.00 10.00 H new ATOM 0 HG3 PRO A 5 6.733 -4.584 4.762 1.00 10.00 H new ATOM 0 HD2 PRO A 5 9.052 -5.892 3.694 1.00 10.00 H new ATOM 0 HD3 PRO A 5 7.944 -4.848 2.826 1.00 10.00 H new ATOM 77 N VAL A 6 11.480 -2.482 6.368 1.00 10.00 N ATOM 78 CA VAL A 6 12.268 -2.691 7.570 1.00 10.00 C ATOM 79 C VAL A 6 11.944 -1.592 8.585 1.00 10.00 C ATOM 80 O VAL A 6 11.780 -0.430 8.216 1.00 10.00 O ATOM 81 CB VAL A 6 13.755 -2.759 7.217 1.00 10.00 C ATOM 82 CG1 VAL A 6 14.051 -3.963 6.320 1.00 10.00 C ATOM 83 CG2 VAL A 6 14.222 -1.458 6.560 1.00 10.00 C ATOM 0 H VAL A 6 11.452 -1.517 6.039 1.00 10.00 H new ATOM 0 HA VAL A 6 12.014 -3.645 8.031 1.00 10.00 H new ATOM 0 HB VAL A 6 14.314 -2.886 8.144 1.00 10.00 H new ATOM 0 HG11 VAL A 6 15.115 -3.988 6.084 1.00 10.00 H new ATOM 0 HG12 VAL A 6 13.773 -4.880 6.839 1.00 10.00 H new ATOM 0 HG13 VAL A 6 13.476 -3.879 5.397 1.00 10.00 H new ATOM 0 HG21 VAL A 6 15.282 -1.532 6.319 1.00 10.00 H new ATOM 0 HG22 VAL A 6 13.653 -1.287 5.646 1.00 10.00 H new ATOM 0 HG23 VAL A 6 14.063 -0.626 7.247 1.00 10.00 H new ATOM 93 N ASP A 7 11.861 -1.999 9.843 1.00 10.00 N ATOM 94 CA ASP A 7 11.622 -1.054 10.921 1.00 10.00 C ATOM 95 C ASP A 7 11.928 -1.727 12.260 1.00 10.00 C ATOM 96 O ASP A 7 12.943 -1.433 12.889 1.00 10.00 O ATOM 97 CB ASP A 7 10.161 -0.600 10.942 1.00 10.00 C ATOM 98 CG ASP A 7 9.171 -1.580 10.310 1.00 10.00 C ATOM 99 OD1 ASP A 7 9.269 -2.801 10.503 1.00 10.00 O ATOM 100 OD2 ASP A 7 8.255 -1.036 9.582 1.00 10.00 O ATOM 0 H ASP A 7 11.955 -2.970 10.140 1.00 10.00 H new ATOM 0 HA ASP A 7 12.266 -0.189 10.760 1.00 10.00 H new ATOM 0 HB2 ASP A 7 9.865 -0.425 11.976 1.00 10.00 H new ATOM 0 HB3 ASP A 7 10.085 0.355 10.423 1.00 10.00 H new ATOM 106 N SER A 8 11.030 -2.617 12.657 1.00 10.00 N ATOM 107 CA SER A 8 11.174 -3.309 13.927 1.00 10.00 C ATOM 108 C SER A 8 12.124 -4.498 13.771 1.00 10.00 C ATOM 109 O SER A 8 12.819 -4.869 14.715 1.00 10.00 O ATOM 110 CB SER A 8 9.816 -3.779 14.454 1.00 10.00 C ATOM 111 OG SER A 8 9.234 -4.773 13.616 1.00 10.00 O ATOM 0 H SER A 8 10.201 -2.875 12.122 1.00 10.00 H new ATOM 0 HA SER A 8 11.593 -2.611 14.652 1.00 10.00 H new ATOM 0 HB2 SER A 8 9.936 -4.179 15.461 1.00 10.00 H new ATOM 0 HB3 SER A 8 9.141 -2.926 14.528 1.00 10.00 H new ATOM 0 HG SER A 8 8.342 -5.002 13.951 1.00 10.00 H new ATOM 117 N LYS A 9 12.122 -5.062 12.573 1.00 10.00 N ATOM 118 CA LYS A 9 13.016 -6.165 12.264 1.00 10.00 C ATOM 119 C LYS A 9 14.424 -5.620 12.015 1.00 10.00 C ATOM 120 O LYS A 9 15.392 -6.379 11.992 1.00 10.00 O ATOM 121 CB LYS A 9 12.464 -6.994 11.102 1.00 10.00 C ATOM 122 CG LYS A 9 12.271 -6.129 9.855 1.00 10.00 C ATOM 123 CD LYS A 9 10.785 -5.950 9.536 1.00 10.00 C ATOM 124 CE LYS A 9 10.253 -7.132 8.723 1.00 10.00 C ATOM 125 NZ LYS A 9 10.733 -7.058 7.325 1.00 10.00 N ATOM 0 H LYS A 9 11.516 -4.776 11.804 1.00 10.00 H new ATOM 0 HA LYS A 9 13.083 -6.849 13.110 1.00 10.00 H new ATOM 0 HB2 LYS A 9 13.147 -7.813 10.878 1.00 10.00 H new ATOM 0 HB3 LYS A 9 11.513 -7.441 11.389 1.00 10.00 H new ATOM 0 HG2 LYS A 9 12.733 -5.154 10.009 1.00 10.00 H new ATOM 0 HG3 LYS A 9 12.776 -6.591 9.006 1.00 10.00 H new ATOM 0 HD2 LYS A 9 10.219 -5.857 10.463 1.00 10.00 H new ATOM 0 HD3 LYS A 9 10.638 -5.025 8.979 1.00 10.00 H new ATOM 0 HE2 LYS A 9 10.578 -8.068 9.176 1.00 10.00 H new ATOM 0 HE3 LYS A 9 9.163 -7.131 8.740 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 10.064 -7.554 6.702 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 10.803 -6.062 7.034 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 11.669 -7.506 7.255 1.00 10.00 H new ATOM 138 N GLY A 10 14.493 -4.309 11.834 1.00 10.00 N ATOM 139 CA GLY A 10 15.776 -3.630 11.766 1.00 10.00 C ATOM 140 C GLY A 10 16.340 -3.665 10.345 1.00 10.00 C ATOM 141 O GLY A 10 16.459 -2.627 9.695 1.00 10.00 O ATOM 0 H GLY A 10 13.682 -3.699 11.732 1.00 10.00 H new ATOM 0 HA2 GLY A 10 15.662 -2.596 12.090 1.00 10.00 H new ATOM 0 HA3 GLY A 10 16.479 -4.103 12.452 1.00 10.00 H new ATOM 145 N CYS A 11 16.673 -4.869 9.903 1.00 10.00 N ATOM 146 CA CYS A 11 17.082 -5.074 8.524 1.00 10.00 C ATOM 147 C CYS A 11 16.359 -6.310 7.987 1.00 10.00 C ATOM 148 O CYS A 11 15.760 -7.065 8.752 1.00 10.00 O ATOM 149 CB CYS A 11 18.601 -5.202 8.398 1.00 10.00 C ATOM 150 SG CYS A 11 19.544 -3.740 8.966 1.00 10.00 S ATOM 0 H CYS A 11 16.668 -5.713 10.476 1.00 10.00 H new ATOM 0 HA CYS A 11 16.806 -4.205 7.927 1.00 10.00 H new ATOM 0 HB2 CYS A 11 18.927 -6.071 8.969 1.00 10.00 H new ATOM 0 HB3 CYS A 11 18.850 -5.395 7.354 1.00 10.00 H new ATOM 155 N LYS A 12 16.438 -6.480 6.675 1.00 10.00 N ATOM 156 CA LYS A 12 15.608 -7.459 5.996 1.00 10.00 C ATOM 157 C LYS A 12 16.152 -8.862 6.272 1.00 10.00 C ATOM 158 O LYS A 12 17.335 -9.027 6.566 1.00 10.00 O ATOM 159 CB LYS A 12 15.495 -7.125 4.507 1.00 10.00 C ATOM 160 CG LYS A 12 14.179 -7.647 3.926 1.00 10.00 C ATOM 161 CD LYS A 12 13.568 -6.634 2.956 1.00 10.00 C ATOM 162 CE LYS A 12 14.527 -6.331 1.803 1.00 10.00 C ATOM 163 NZ LYS A 12 14.956 -4.915 1.845 1.00 10.00 N ATOM 0 H LYS A 12 17.065 -5.956 6.065 1.00 10.00 H new ATOM 0 HA LYS A 12 14.590 -7.430 6.384 1.00 10.00 H new ATOM 0 HB2 LYS A 12 15.556 -6.046 4.367 1.00 10.00 H new ATOM 0 HB3 LYS A 12 16.334 -7.564 3.968 1.00 10.00 H new ATOM 0 HG2 LYS A 12 14.354 -8.591 3.409 1.00 10.00 H new ATOM 0 HG3 LYS A 12 13.476 -7.852 4.734 1.00 10.00 H new ATOM 0 HD2 LYS A 12 12.630 -7.024 2.561 1.00 10.00 H new ATOM 0 HD3 LYS A 12 13.331 -5.713 3.488 1.00 10.00 H new ATOM 0 HE2 LYS A 12 15.398 -6.983 1.866 1.00 10.00 H new ATOM 0 HE3 LYS A 12 14.039 -6.541 0.851 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 14.477 -4.385 1.089 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 14.707 -4.504 2.767 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 15.985 -4.860 1.708 1.00 10.00 H new ATOM 176 N LEU A 13 15.262 -9.839 6.167 1.00 10.00 N ATOM 177 CA LEU A 13 15.556 -11.174 6.658 1.00 10.00 C ATOM 178 C LEU A 13 16.243 -11.980 5.553 1.00 10.00 C ATOM 179 O LEU A 13 16.882 -12.995 5.826 1.00 10.00 O ATOM 180 CB LEU A 13 14.288 -11.835 7.203 1.00 10.00 C ATOM 181 CG LEU A 13 13.618 -11.129 8.383 1.00 10.00 C ATOM 182 CD1 LEU A 13 14.659 -10.619 9.381 1.00 10.00 C ATOM 183 CD2 LEU A 13 12.692 -10.011 7.899 1.00 10.00 C ATOM 0 H LEU A 13 14.338 -9.732 5.749 1.00 10.00 H new ATOM 0 HA LEU A 13 16.250 -11.127 7.497 1.00 10.00 H new ATOM 0 HB2 LEU A 13 13.564 -11.910 6.392 1.00 10.00 H new ATOM 0 HB3 LEU A 13 14.534 -12.853 7.506 1.00 10.00 H new ATOM 0 HG LEU A 13 12.998 -11.856 8.908 1.00 10.00 H new ATOM 0 HD11 LEU A 13 14.155 -10.121 10.210 1.00 10.00 H new ATOM 0 HD12 LEU A 13 15.240 -11.459 9.761 1.00 10.00 H new ATOM 0 HD13 LEU A 13 15.324 -9.913 8.884 1.00 10.00 H new ATOM 0 HD21 LEU A 13 12.228 -9.525 8.758 1.00 10.00 H new ATOM 0 HD22 LEU A 13 13.270 -9.278 7.336 1.00 10.00 H new ATOM 0 HD23 LEU A 13 11.917 -10.432 7.258 1.00 10.00 H new ATOM 195 N SER A 14 16.089 -11.496 4.329 1.00 10.00 N ATOM 196 CA SER A 14 16.595 -12.214 3.172 1.00 10.00 C ATOM 197 C SER A 14 16.013 -13.628 3.137 1.00 10.00 C ATOM 198 O SER A 14 16.640 -14.574 3.610 1.00 10.00 O ATOM 199 CB SER A 14 18.124 -12.270 3.185 1.00 10.00 C ATOM 200 OG SER A 14 18.706 -10.972 3.263 1.00 10.00 O ATOM 0 H SER A 14 15.621 -10.616 4.114 1.00 10.00 H new ATOM 0 HA SER A 14 16.285 -11.678 2.275 1.00 10.00 H new ATOM 0 HB2 SER A 14 18.457 -12.868 4.033 1.00 10.00 H new ATOM 0 HB3 SER A 14 18.476 -12.771 2.283 1.00 10.00 H new ATOM 0 HG SER A 14 19.122 -10.852 4.142 1.00 10.00 H new ATOM 206 N CYS A 15 14.819 -13.728 2.571 1.00 10.00 N ATOM 207 CA CYS A 15 14.142 -15.010 2.473 1.00 10.00 C ATOM 208 C CYS A 15 14.978 -15.928 1.580 1.00 10.00 C ATOM 209 O CYS A 15 15.666 -15.460 0.673 1.00 10.00 O ATOM 210 CB CYS A 15 12.711 -14.856 1.952 1.00 10.00 C ATOM 211 SG CYS A 15 12.579 -14.142 0.272 1.00 10.00 S ATOM 0 H CYS A 15 14.303 -12.942 2.176 1.00 10.00 H new ATOM 0 HA CYS A 15 14.052 -15.453 3.465 1.00 10.00 H new ATOM 0 HB2 CYS A 15 12.231 -15.835 1.954 1.00 10.00 H new ATOM 0 HB3 CYS A 15 12.153 -14.226 2.644 1.00 10.00 H new ATOM 216 N VAL A 16 14.893 -17.218 1.867 1.00 10.00 N ATOM 217 CA VAL A 16 15.423 -18.224 0.962 1.00 10.00 C ATOM 218 C VAL A 16 14.337 -19.260 0.666 1.00 10.00 C ATOM 219 O VAL A 16 14.634 -20.360 0.202 1.00 10.00 O ATOM 220 CB VAL A 16 16.694 -18.840 1.549 1.00 10.00 C ATOM 221 CG1 VAL A 16 17.548 -19.484 0.455 1.00 10.00 C ATOM 222 CG2 VAL A 16 17.498 -17.798 2.330 1.00 10.00 C ATOM 0 H VAL A 16 14.465 -17.591 2.714 1.00 10.00 H new ATOM 0 HA VAL A 16 15.708 -17.771 0.012 1.00 10.00 H new ATOM 0 HB VAL A 16 16.395 -19.624 2.245 1.00 10.00 H new ATOM 0 HG11 VAL A 16 18.445 -19.914 0.900 1.00 10.00 H new ATOM 0 HG12 VAL A 16 16.975 -20.269 -0.039 1.00 10.00 H new ATOM 0 HG13 VAL A 16 17.833 -18.728 -0.277 1.00 10.00 H new ATOM 0 HG21 VAL A 16 18.397 -18.262 2.737 1.00 10.00 H new ATOM 0 HG22 VAL A 16 17.780 -16.982 1.664 1.00 10.00 H new ATOM 0 HG23 VAL A 16 16.891 -17.406 3.146 1.00 10.00 H new ATOM 232 N ALA A 17 13.102 -18.873 0.948 1.00 10.00 N ATOM 233 CA ALA A 17 11.981 -19.787 0.806 1.00 10.00 C ATOM 234 C ALA A 17 10.676 -18.988 0.793 1.00 10.00 C ATOM 235 O ALA A 17 10.614 -17.885 1.335 1.00 10.00 O ATOM 236 CB ALA A 17 12.019 -20.822 1.932 1.00 10.00 C ATOM 0 H ALA A 17 12.853 -17.939 1.274 1.00 10.00 H new ATOM 0 HA ALA A 17 12.046 -20.329 -0.137 1.00 10.00 H new ATOM 0 HB1 ALA A 17 11.178 -21.507 1.825 1.00 10.00 H new ATOM 0 HB2 ALA A 17 12.952 -21.382 1.880 1.00 10.00 H new ATOM 0 HB3 ALA A 17 11.954 -20.315 2.895 1.00 10.00 H new ATOM 242 N ASN A 18 9.666 -19.575 0.168 1.00 10.00 N ATOM 243 CA ASN A 18 8.433 -18.856 -0.102 1.00 10.00 C ATOM 244 C ASN A 18 7.607 -18.769 1.183 1.00 10.00 C ATOM 245 O ASN A 18 7.128 -17.695 1.547 1.00 10.00 O ATOM 246 CB ASN A 18 7.592 -19.579 -1.156 1.00 10.00 C ATOM 247 CG ASN A 18 8.352 -19.693 -2.479 1.00 10.00 C ATOM 248 OD1 ASN A 18 8.947 -20.709 -2.798 1.00 10.00 O ATOM 249 ND2 ASN A 18 8.300 -18.596 -3.229 1.00 10.00 N ATOM 0 H ASN A 18 9.677 -20.541 -0.159 1.00 10.00 H new ATOM 0 HA ASN A 18 8.695 -17.864 -0.469 1.00 10.00 H new ATOM 0 HB2 ASN A 18 7.329 -20.574 -0.797 1.00 10.00 H new ATOM 0 HB3 ASN A 18 6.658 -19.040 -1.314 1.00 10.00 H new ATOM 0 HD21 ASN A 18 8.776 -18.572 -4.131 1.00 10.00 H new ATOM 0 HD22 ASN A 18 7.784 -17.779 -2.903 1.00 10.00 H new ATOM 256 N ASN A 19 7.464 -19.913 1.836 1.00 10.00 N ATOM 257 CA ASN A 19 6.635 -19.998 3.026 1.00 10.00 C ATOM 258 C ASN A 19 7.240 -19.123 4.127 1.00 10.00 C ATOM 259 O ASN A 19 6.514 -18.523 4.917 1.00 10.00 O ATOM 260 CB ASN A 19 6.566 -21.434 3.548 1.00 10.00 C ATOM 261 CG ASN A 19 7.967 -21.989 3.815 1.00 10.00 C ATOM 262 OD1 ASN A 19 8.932 -21.658 3.145 1.00 10.00 O ATOM 263 ND2 ASN A 19 8.024 -22.848 4.829 1.00 10.00 N ATOM 0 H ASN A 19 7.909 -20.789 1.563 1.00 10.00 H new ATOM 0 HA ASN A 19 5.632 -19.662 2.763 1.00 10.00 H new ATOM 0 HB2 ASN A 19 5.979 -21.463 4.466 1.00 10.00 H new ATOM 0 HB3 ASN A 19 6.054 -22.065 2.821 1.00 10.00 H new ATOM 0 HD21 ASN A 19 8.914 -23.274 5.087 1.00 10.00 H new ATOM 0 HD22 ASN A 19 7.177 -23.081 5.348 1.00 10.00 H new ATOM 270 N TYR A 20 8.564 -19.079 4.142 1.00 10.00 N ATOM 271 CA TYR A 20 9.275 -18.312 5.151 1.00 10.00 C ATOM 272 C TYR A 20 8.886 -16.834 5.090 1.00 10.00 C ATOM 273 O TYR A 20 8.704 -16.193 6.124 1.00 10.00 O ATOM 274 CB TYR A 20 10.762 -18.450 4.815 1.00 10.00 C ATOM 275 CG TYR A 20 11.683 -17.634 5.724 1.00 10.00 C ATOM 276 CD1 TYR A 20 12.153 -18.182 6.901 1.00 10.00 C ATOM 277 CD2 TYR A 20 12.045 -16.351 5.367 1.00 10.00 C ATOM 278 CE1 TYR A 20 13.020 -17.414 7.756 1.00 10.00 C ATOM 279 CE2 TYR A 20 12.912 -15.583 6.223 1.00 10.00 C ATOM 280 CZ TYR A 20 13.357 -16.152 7.375 1.00 10.00 C ATOM 281 OH TYR A 20 14.176 -15.427 8.183 1.00 10.00 O ATOM 0 H TYR A 20 9.163 -19.562 3.472 1.00 10.00 H new ATOM 0 HA TYR A 20 9.036 -18.677 6.150 1.00 10.00 H new ATOM 0 HB2 TYR A 20 11.043 -19.501 4.880 1.00 10.00 H new ATOM 0 HB3 TYR A 20 10.921 -18.141 3.782 1.00 10.00 H new ATOM 0 HD1 TYR A 20 11.870 -19.186 7.180 1.00 10.00 H new ATOM 0 HD2 TYR A 20 11.678 -15.923 4.446 1.00 10.00 H new ATOM 0 HE1 TYR A 20 13.395 -17.830 8.679 1.00 10.00 H new ATOM 0 HE2 TYR A 20 13.202 -14.578 5.956 1.00 10.00 H new ATOM 0 HH TYR A 20 14.911 -15.053 7.653 1.00 10.00 H new ATOM 291 N CYS A 21 8.771 -16.335 3.868 1.00 10.00 N ATOM 292 CA CYS A 21 8.380 -14.951 3.658 1.00 10.00 C ATOM 293 C CYS A 21 6.893 -14.816 3.992 1.00 10.00 C ATOM 294 O CYS A 21 6.503 -13.941 4.764 1.00 10.00 O ATOM 295 CB CYS A 21 8.690 -14.485 2.234 1.00 10.00 C ATOM 296 SG CYS A 21 8.069 -12.814 1.821 1.00 10.00 S ATOM 0 H CYS A 21 8.942 -16.864 3.013 1.00 10.00 H new ATOM 0 HA CYS A 21 8.959 -14.303 4.316 1.00 10.00 H new ATOM 0 HB2 CYS A 21 9.770 -14.502 2.088 1.00 10.00 H new ATOM 0 HB3 CYS A 21 8.262 -15.200 1.531 1.00 10.00 H new ATOM 301 N ASP A 22 6.103 -15.696 3.395 1.00 10.00 N ATOM 302 CA ASP A 22 4.658 -15.546 3.426 1.00 10.00 C ATOM 303 C ASP A 22 4.199 -15.377 4.876 1.00 10.00 C ATOM 304 O ASP A 22 3.575 -14.374 5.219 1.00 10.00 O ATOM 305 CB ASP A 22 3.964 -16.783 2.852 1.00 10.00 C ATOM 306 CG ASP A 22 2.438 -16.776 2.959 1.00 10.00 C ATOM 307 OD1 ASP A 22 1.738 -16.232 2.092 1.00 10.00 O ATOM 308 OD2 ASP A 22 1.962 -17.370 4.001 1.00 10.00 O ATOM 0 H ASP A 22 6.436 -16.515 2.887 1.00 10.00 H new ATOM 0 HA ASP A 22 4.396 -14.674 2.826 1.00 10.00 H new ATOM 0 HB2 ASP A 22 4.239 -16.881 1.802 1.00 10.00 H new ATOM 0 HB3 ASP A 22 4.345 -17.666 3.365 1.00 10.00 H new ATOM 314 N ASN A 23 4.525 -16.373 5.686 1.00 10.00 N ATOM 315 CA ASN A 23 4.022 -16.424 7.048 1.00 10.00 C ATOM 316 C ASN A 23 4.559 -15.225 7.832 1.00 10.00 C ATOM 317 O ASN A 23 3.877 -14.695 8.707 1.00 10.00 O ATOM 318 CB ASN A 23 4.483 -17.699 7.758 1.00 10.00 C ATOM 319 CG ASN A 23 5.852 -17.497 8.412 1.00 10.00 C ATOM 320 OD1 ASN A 23 5.969 -17.206 9.591 1.00 10.00 O ATOM 321 ND2 ASN A 23 6.878 -17.667 7.583 1.00 10.00 N ATOM 0 H ASN A 23 5.131 -17.151 5.425 1.00 10.00 H new ATOM 0 HA ASN A 23 2.933 -16.408 7.006 1.00 10.00 H new ATOM 0 HB2 ASN A 23 3.752 -17.982 8.515 1.00 10.00 H new ATOM 0 HB3 ASN A 23 4.535 -18.520 7.042 1.00 10.00 H new ATOM 0 HD21 ASN A 23 7.833 -17.554 7.923 1.00 10.00 H new ATOM 0 HD22 ASN A 23 6.710 -17.910 6.607 1.00 10.00 H new ATOM 328 N GLN A 24 5.777 -14.833 7.489 1.00 10.00 N ATOM 329 CA GLN A 24 6.466 -13.794 8.235 1.00 10.00 C ATOM 330 C GLN A 24 5.842 -12.428 7.943 1.00 10.00 C ATOM 331 O GLN A 24 5.867 -11.536 8.790 1.00 10.00 O ATOM 332 CB GLN A 24 7.963 -13.792 7.918 1.00 10.00 C ATOM 333 CG GLN A 24 8.694 -12.718 8.727 1.00 10.00 C ATOM 334 CD GLN A 24 10.205 -12.956 8.715 1.00 10.00 C ATOM 335 OE1 GLN A 24 10.833 -13.177 9.738 1.00 10.00 O ATOM 336 NE2 GLN A 24 10.752 -12.899 7.504 1.00 10.00 N ATOM 0 H GLN A 24 6.304 -15.216 6.705 1.00 10.00 H new ATOM 0 HA GLN A 24 6.354 -14.003 9.299 1.00 10.00 H new ATOM 0 HB2 GLN A 24 8.387 -14.771 8.141 1.00 10.00 H new ATOM 0 HB3 GLN A 24 8.113 -13.615 6.853 1.00 10.00 H new ATOM 0 HG2 GLN A 24 8.474 -11.734 8.314 1.00 10.00 H new ATOM 0 HG3 GLN A 24 8.330 -12.721 9.754 1.00 10.00 H new ATOM 0 HE21 GLN A 24 10.168 -12.710 6.689 1.00 10.00 H new ATOM 0 HE22 GLN A 24 11.755 -13.045 7.390 1.00 10.00 H new ATOM 345 N CYS A 25 5.296 -12.307 6.742 1.00 10.00 N ATOM 346 CA CYS A 25 4.644 -11.074 6.337 1.00 10.00 C ATOM 347 C CYS A 25 3.253 -11.034 6.975 1.00 10.00 C ATOM 348 O CYS A 25 2.905 -10.069 7.653 1.00 10.00 O ATOM 349 CB CYS A 25 4.577 -10.942 4.814 1.00 10.00 C ATOM 350 SG CYS A 25 6.200 -10.766 3.988 1.00 10.00 S ATOM 0 H CYS A 25 5.292 -13.043 6.036 1.00 10.00 H new ATOM 0 HA CYS A 25 5.227 -10.221 6.684 1.00 10.00 H new ATOM 0 HB2 CYS A 25 4.072 -11.819 4.409 1.00 10.00 H new ATOM 0 HB3 CYS A 25 3.962 -10.077 4.565 1.00 10.00 H new ATOM 355 N LYS A 26 2.496 -12.095 6.734 1.00 10.00 N ATOM 356 CA LYS A 26 1.050 -12.023 6.850 1.00 10.00 C ATOM 357 C LYS A 26 0.661 -12.010 8.330 1.00 10.00 C ATOM 358 O LYS A 26 -0.435 -11.577 8.683 1.00 10.00 O ATOM 359 CB LYS A 26 0.392 -13.151 6.052 1.00 10.00 C ATOM 360 CG LYS A 26 0.748 -14.518 6.640 1.00 10.00 C ATOM 361 CD LYS A 26 -0.511 -15.350 6.893 1.00 10.00 C ATOM 362 CE LYS A 26 -1.234 -14.880 8.157 1.00 10.00 C ATOM 363 NZ LYS A 26 -2.407 -15.739 8.434 1.00 10.00 N ATOM 0 H LYS A 26 2.857 -13.008 6.459 1.00 10.00 H new ATOM 0 HA LYS A 26 0.679 -11.096 6.414 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -0.690 -13.020 6.055 1.00 10.00 H new ATOM 0 HB3 LYS A 26 0.716 -13.103 5.012 1.00 10.00 H new ATOM 0 HG2 LYS A 26 1.409 -15.051 5.957 1.00 10.00 H new ATOM 0 HG3 LYS A 26 1.294 -14.385 7.574 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -1.181 -15.272 6.037 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -0.242 -16.402 6.993 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -0.550 -14.905 9.005 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -1.554 -13.845 8.036 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -2.886 -15.406 9.295 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -3.067 -15.695 7.632 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -2.094 -16.721 8.570 1.00 10.00 H new ATOM 376 N MET A 27 1.581 -12.488 9.155 1.00 10.00 N ATOM 377 CA MET A 27 1.288 -12.695 10.563 1.00 10.00 C ATOM 378 C MET A 27 0.966 -11.370 11.257 1.00 10.00 C ATOM 379 O MET A 27 0.237 -11.345 12.247 1.00 10.00 O ATOM 380 CB MET A 27 2.492 -13.349 11.244 1.00 10.00 C ATOM 381 CG MET A 27 3.669 -12.375 11.330 1.00 10.00 C ATOM 382 SD MET A 27 5.138 -13.238 11.860 1.00 10.00 S ATOM 383 CE MET A 27 6.223 -11.852 12.155 1.00 10.00 C ATOM 0 H MET A 27 2.530 -12.738 8.875 1.00 10.00 H new ATOM 0 HA MET A 27 0.417 -13.345 10.642 1.00 10.00 H new ATOM 0 HB2 MET A 27 2.214 -13.678 12.245 1.00 10.00 H new ATOM 0 HB3 MET A 27 2.791 -14.238 10.688 1.00 10.00 H new ATOM 0 HG2 MET A 27 3.840 -11.912 10.358 1.00 10.00 H new ATOM 0 HG3 MET A 27 3.437 -11.572 12.029 1.00 10.00 H new ATOM 0 HE1 MET A 27 7.249 -12.207 12.251 1.00 10.00 H new ATOM 0 HE2 MET A 27 6.157 -11.154 11.320 1.00 10.00 H new ATOM 0 HE3 MET A 27 5.926 -11.347 13.074 1.00 10.00 H new ATOM 393 N LYS A 28 1.524 -10.301 10.709 1.00 10.00 N ATOM 394 CA LYS A 28 1.468 -9.007 11.367 1.00 10.00 C ATOM 395 C LYS A 28 1.715 -7.904 10.335 1.00 10.00 C ATOM 396 O LYS A 28 0.891 -7.005 10.173 1.00 10.00 O ATOM 397 CB LYS A 28 2.433 -8.966 12.553 1.00 10.00 C ATOM 398 CG LYS A 28 2.331 -7.633 13.298 1.00 10.00 C ATOM 399 CD LYS A 28 3.541 -6.746 13.001 1.00 10.00 C ATOM 400 CE LYS A 28 3.398 -5.380 13.677 1.00 10.00 C ATOM 401 NZ LYS A 28 3.390 -5.529 15.149 1.00 10.00 N ATOM 0 H LYS A 28 2.017 -10.304 9.816 1.00 10.00 H new ATOM 0 HA LYS A 28 0.477 -8.836 11.787 1.00 10.00 H new ATOM 0 HB2 LYS A 28 2.211 -9.786 13.236 1.00 10.00 H new ATOM 0 HB3 LYS A 28 3.454 -9.112 12.201 1.00 10.00 H new ATOM 0 HG2 LYS A 28 1.417 -7.117 13.005 1.00 10.00 H new ATOM 0 HG3 LYS A 28 2.264 -7.816 14.370 1.00 10.00 H new ATOM 0 HD2 LYS A 28 4.450 -7.236 13.351 1.00 10.00 H new ATOM 0 HD3 LYS A 28 3.644 -6.614 11.924 1.00 10.00 H new ATOM 0 HE2 LYS A 28 4.220 -4.731 13.376 1.00 10.00 H new ATOM 0 HE3 LYS A 28 2.476 -4.900 13.349 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 3.497 -4.595 15.593 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 2.490 -5.954 15.450 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 4.177 -6.143 15.440 1.00 10.00 H new ATOM 414 N LYS A 29 2.853 -8.008 9.665 1.00 10.00 N ATOM 415 CA LYS A 29 3.367 -6.896 8.885 1.00 10.00 C ATOM 416 C LYS A 29 2.341 -6.510 7.818 1.00 10.00 C ATOM 417 O LYS A 29 2.053 -5.329 7.627 1.00 10.00 O ATOM 418 CB LYS A 29 4.748 -7.232 8.317 1.00 10.00 C ATOM 419 CG LYS A 29 5.787 -7.343 9.434 1.00 10.00 C ATOM 420 CD LYS A 29 6.304 -5.961 9.842 1.00 10.00 C ATOM 421 CE LYS A 29 7.110 -6.038 11.140 1.00 10.00 C ATOM 422 NZ LYS A 29 7.534 -4.686 11.567 1.00 10.00 N ATOM 0 H LYS A 29 3.434 -8.846 9.646 1.00 10.00 H new ATOM 0 HA LYS A 29 3.513 -6.022 9.519 1.00 10.00 H new ATOM 0 HB2 LYS A 29 4.700 -8.171 7.765 1.00 10.00 H new ATOM 0 HB3 LYS A 29 5.051 -6.461 7.608 1.00 10.00 H new ATOM 0 HG2 LYS A 29 5.346 -7.840 10.298 1.00 10.00 H new ATOM 0 HG3 LYS A 29 6.619 -7.963 9.101 1.00 10.00 H new ATOM 0 HD2 LYS A 29 6.927 -5.553 9.046 1.00 10.00 H new ATOM 0 HD3 LYS A 29 5.464 -5.278 9.971 1.00 10.00 H new ATOM 0 HE2 LYS A 29 6.508 -6.501 11.922 1.00 10.00 H new ATOM 0 HE3 LYS A 29 7.985 -6.671 10.995 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 8.242 -4.767 12.324 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 7.949 -4.181 10.758 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 6.710 -4.159 11.919 1.00 10.00 H new ATOM 435 N ALA A 30 1.818 -7.527 7.150 1.00 10.00 N ATOM 436 CA ALA A 30 1.105 -7.316 5.901 1.00 10.00 C ATOM 437 C ALA A 30 -0.116 -8.236 5.854 1.00 10.00 C ATOM 438 O ALA A 30 -0.366 -8.990 6.792 1.00 10.00 O ATOM 439 CB ALA A 30 2.056 -7.547 4.725 1.00 10.00 C ATOM 0 H ALA A 30 1.874 -8.500 7.450 1.00 10.00 H new ATOM 0 HA ALA A 30 0.746 -6.289 5.833 1.00 10.00 H new ATOM 0 HB1 ALA A 30 1.521 -7.389 3.788 1.00 10.00 H new ATOM 0 HB2 ALA A 30 2.890 -6.848 4.789 1.00 10.00 H new ATOM 0 HB3 ALA A 30 2.435 -8.569 4.759 1.00 10.00 H new ATOM 445 N SER A 31 -0.844 -8.144 4.750 1.00 10.00 N ATOM 446 CA SER A 31 -1.907 -9.095 4.474 1.00 10.00 C ATOM 447 C SER A 31 -1.326 -10.358 3.834 1.00 10.00 C ATOM 448 O SER A 31 -1.799 -11.463 4.094 1.00 10.00 O ATOM 449 CB SER A 31 -2.972 -8.481 3.563 1.00 10.00 C ATOM 450 OG SER A 31 -2.428 -8.055 2.317 1.00 10.00 O ATOM 0 H SER A 31 -0.718 -7.426 4.037 1.00 10.00 H new ATOM 0 HA SER A 31 -2.383 -9.359 5.418 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.760 -9.212 3.383 1.00 10.00 H new ATOM 0 HB3 SER A 31 -3.434 -7.631 4.066 1.00 10.00 H new ATOM 0 HG SER A 31 -1.451 -8.022 2.381 1.00 10.00 H new ATOM 456 N GLY A 32 -0.309 -10.152 3.010 1.00 10.00 N ATOM 457 CA GLY A 32 0.333 -11.258 2.322 1.00 10.00 C ATOM 458 C GLY A 32 1.808 -10.954 2.051 1.00 10.00 C ATOM 459 O GLY A 32 2.330 -9.938 2.508 1.00 10.00 O ATOM 0 H GLY A 32 0.086 -9.235 2.804 1.00 10.00 H new ATOM 0 HA2 GLY A 32 0.249 -12.163 2.924 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -0.181 -11.453 1.381 1.00 10.00 H new ATOM 463 N GLY A 33 2.438 -11.853 1.309 1.00 10.00 N ATOM 464 CA GLY A 33 3.818 -11.652 0.902 1.00 10.00 C ATOM 465 C GLY A 33 4.342 -12.862 0.126 1.00 10.00 C ATOM 466 O GLY A 33 3.800 -13.960 0.241 1.00 10.00 O ATOM 0 H GLY A 33 2.018 -12.722 0.979 1.00 10.00 H new ATOM 0 HA2 GLY A 33 3.892 -10.758 0.282 1.00 10.00 H new ATOM 0 HA3 GLY A 33 4.439 -11.482 1.781 1.00 10.00 H new ATOM 470 N HIS A 34 5.390 -12.619 -0.648 1.00 10.00 N ATOM 471 CA HIS A 34 6.044 -13.691 -1.379 1.00 10.00 C ATOM 472 C HIS A 34 7.551 -13.430 -1.433 1.00 10.00 C ATOM 473 O HIS A 34 7.993 -12.291 -1.290 1.00 10.00 O ATOM 474 CB HIS A 34 5.422 -13.861 -2.767 1.00 10.00 C ATOM 475 CG HIS A 34 4.019 -14.418 -2.746 1.00 10.00 C ATOM 476 ND1 HIS A 34 3.750 -15.775 -2.797 1.00 10.00 N ATOM 477 CD2 HIS A 34 2.811 -13.788 -2.680 1.00 10.00 C ATOM 478 CE1 HIS A 34 2.436 -15.942 -2.762 1.00 10.00 C ATOM 479 NE2 HIS A 34 1.856 -14.710 -2.690 1.00 10.00 N ATOM 0 H HIS A 34 5.802 -11.696 -0.785 1.00 10.00 H new ATOM 0 HA HIS A 34 5.892 -14.636 -0.858 1.00 10.00 H new ATOM 0 HB2 HIS A 34 5.411 -12.894 -3.270 1.00 10.00 H new ATOM 0 HB3 HIS A 34 6.055 -14.521 -3.360 1.00 10.00 H new ATOM 0 HD2 HIS A 34 2.658 -12.720 -2.628 1.00 10.00 H new ATOM 0 HE1 HIS A 34 1.916 -16.888 -2.786 1.00 10.00 H new ATOM 0 HE2 HIS A 34 0.853 -14.527 -2.650 1.00 10.00 H new ATOM 487 N CYS A 35 8.298 -14.505 -1.639 1.00 10.00 N ATOM 488 CA CYS A 35 9.748 -14.427 -1.599 1.00 10.00 C ATOM 489 C CYS A 35 10.250 -14.061 -2.997 1.00 10.00 C ATOM 490 O CYS A 35 10.355 -14.923 -3.868 1.00 10.00 O ATOM 491 CB CYS A 35 10.371 -15.730 -1.092 1.00 10.00 C ATOM 492 SG CYS A 35 12.195 -15.702 -0.945 1.00 10.00 S ATOM 0 H CYS A 35 7.926 -15.434 -1.834 1.00 10.00 H new ATOM 0 HA CYS A 35 10.053 -13.656 -0.892 1.00 10.00 H new ATOM 0 HB2 CYS A 35 9.945 -15.964 -0.116 1.00 10.00 H new ATOM 0 HB3 CYS A 35 10.087 -16.538 -1.766 1.00 10.00 H new ATOM 497 N TYR A 36 10.545 -12.781 -3.169 1.00 10.00 N ATOM 498 CA TYR A 36 11.254 -12.329 -4.354 1.00 10.00 C ATOM 499 C TYR A 36 12.755 -12.599 -4.231 1.00 10.00 C ATOM 500 O TYR A 36 13.274 -12.749 -3.126 1.00 10.00 O ATOM 501 CB TYR A 36 11.024 -10.818 -4.432 1.00 10.00 C ATOM 502 CG TYR A 36 11.468 -10.189 -5.754 1.00 10.00 C ATOM 503 CD1 TYR A 36 10.846 -10.548 -6.932 1.00 10.00 C ATOM 504 CD2 TYR A 36 12.491 -9.262 -5.768 1.00 10.00 C ATOM 505 CE1 TYR A 36 11.264 -9.956 -8.177 1.00 10.00 C ATOM 506 CE2 TYR A 36 12.909 -8.670 -7.013 1.00 10.00 C ATOM 507 CZ TYR A 36 12.275 -9.046 -8.155 1.00 10.00 C ATOM 508 OH TYR A 36 12.670 -8.487 -9.331 1.00 10.00 O ATOM 0 H TYR A 36 10.306 -12.042 -2.507 1.00 10.00 H new ATOM 0 HA TYR A 36 10.895 -12.853 -5.240 1.00 10.00 H new ATOM 0 HB2 TYR A 36 9.964 -10.614 -4.282 1.00 10.00 H new ATOM 0 HB3 TYR A 36 11.560 -10.336 -3.614 1.00 10.00 H new ATOM 0 HD1 TYR A 36 10.046 -11.273 -6.921 1.00 10.00 H new ATOM 0 HD2 TYR A 36 12.978 -8.981 -4.846 1.00 10.00 H new ATOM 0 HE1 TYR A 36 10.786 -10.228 -9.106 1.00 10.00 H new ATOM 0 HE2 TYR A 36 13.708 -7.944 -7.038 1.00 10.00 H new ATOM 0 HH TYR A 36 13.400 -7.855 -9.164 1.00 10.00 H new ATOM 518 N ALA A 37 13.410 -12.652 -5.382 1.00 10.00 N ATOM 519 CA ALA A 37 14.749 -13.212 -5.455 1.00 10.00 C ATOM 520 C ALA A 37 15.653 -12.493 -4.451 1.00 10.00 C ATOM 521 O ALA A 37 16.515 -13.114 -3.831 1.00 10.00 O ATOM 522 CB ALA A 37 15.270 -13.104 -6.890 1.00 10.00 C ATOM 0 H ALA A 37 13.039 -12.317 -6.271 1.00 10.00 H new ATOM 0 HA ALA A 37 14.738 -14.269 -5.191 1.00 10.00 H new ATOM 0 HB1 ALA A 37 16.274 -13.524 -6.945 1.00 10.00 H new ATOM 0 HB2 ALA A 37 14.609 -13.655 -7.559 1.00 10.00 H new ATOM 0 HB3 ALA A 37 15.298 -12.056 -7.189 1.00 10.00 H new ATOM 528 N MET A 38 15.425 -11.194 -4.323 1.00 10.00 N ATOM 529 CA MET A 38 16.288 -10.360 -3.503 1.00 10.00 C ATOM 530 C MET A 38 16.025 -10.597 -2.014 1.00 10.00 C ATOM 531 O MET A 38 16.961 -10.666 -1.219 1.00 10.00 O ATOM 532 CB MET A 38 16.043 -8.888 -3.837 1.00 10.00 C ATOM 533 CG MET A 38 16.525 -8.559 -5.252 1.00 10.00 C ATOM 534 SD MET A 38 17.980 -7.528 -5.176 1.00 10.00 S ATOM 535 CE MET A 38 19.174 -8.719 -4.591 1.00 10.00 C ATOM 0 H MET A 38 14.655 -10.699 -4.773 1.00 10.00 H new ATOM 0 HA MET A 38 17.324 -10.622 -3.716 1.00 10.00 H new ATOM 0 HB2 MET A 38 14.980 -8.664 -3.750 1.00 10.00 H new ATOM 0 HB3 MET A 38 16.562 -8.257 -3.116 1.00 10.00 H new ATOM 0 HG2 MET A 38 16.749 -9.479 -5.792 1.00 10.00 H new ATOM 0 HG3 MET A 38 15.736 -8.049 -5.805 1.00 10.00 H new ATOM 0 HE1 MET A 38 20.177 -8.299 -4.672 1.00 10.00 H new ATOM 0 HE2 MET A 38 18.965 -8.962 -3.549 1.00 10.00 H new ATOM 0 HE3 MET A 38 19.110 -9.624 -5.194 1.00 10.00 H new ATOM 545 N SER A 39 14.748 -10.714 -1.683 1.00 10.00 N ATOM 546 CA SER A 39 14.323 -10.623 -0.296 1.00 10.00 C ATOM 547 C SER A 39 12.806 -10.802 -0.201 1.00 10.00 C ATOM 548 O SER A 39 12.122 -10.885 -1.220 1.00 10.00 O ATOM 549 CB SER A 39 14.740 -9.287 0.321 1.00 10.00 C ATOM 550 OG SER A 39 16.001 -9.373 0.978 1.00 10.00 O ATOM 0 H SER A 39 13.993 -10.871 -2.351 1.00 10.00 H new ATOM 0 HA SER A 39 14.812 -11.419 0.265 1.00 10.00 H new ATOM 0 HB2 SER A 39 14.789 -8.527 -0.459 1.00 10.00 H new ATOM 0 HB3 SER A 39 13.981 -8.964 1.034 1.00 10.00 H new ATOM 0 HG SER A 39 16.641 -9.835 0.397 1.00 10.00 H new ATOM 556 N CYS A 40 12.326 -10.856 1.032 1.00 10.00 N ATOM 557 CA CYS A 40 10.907 -11.060 1.274 1.00 10.00 C ATOM 558 C CYS A 40 10.156 -9.812 0.805 1.00 10.00 C ATOM 559 O CYS A 40 10.343 -8.727 1.354 1.00 10.00 O ATOM 560 CB CYS A 40 10.624 -11.377 2.744 1.00 10.00 C ATOM 561 SG CYS A 40 8.851 -11.547 3.165 1.00 10.00 S ATOM 0 H CYS A 40 12.893 -10.762 1.874 1.00 10.00 H new ATOM 0 HA CYS A 40 10.560 -11.926 0.710 1.00 10.00 H new ATOM 0 HB2 CYS A 40 11.136 -12.303 3.006 1.00 10.00 H new ATOM 0 HB3 CYS A 40 11.055 -10.589 3.361 1.00 10.00 H new ATOM 566 N TYR A 41 9.322 -10.008 -0.206 1.00 10.00 N ATOM 567 CA TYR A 41 8.457 -8.941 -0.679 1.00 10.00 C ATOM 568 C TYR A 41 7.062 -9.051 -0.061 1.00 10.00 C ATOM 569 O TYR A 41 6.239 -9.845 -0.513 1.00 10.00 O ATOM 570 CB TYR A 41 8.347 -9.128 -2.194 1.00 10.00 C ATOM 571 CG TYR A 41 7.425 -8.119 -2.880 1.00 10.00 C ATOM 572 CD1 TYR A 41 7.587 -6.768 -2.649 1.00 10.00 C ATOM 573 CD2 TYR A 41 6.431 -8.559 -3.731 1.00 10.00 C ATOM 574 CE1 TYR A 41 6.719 -5.817 -3.295 1.00 10.00 C ATOM 575 CE2 TYR A 41 5.563 -7.608 -4.377 1.00 10.00 C ATOM 576 CZ TYR A 41 5.750 -6.285 -4.127 1.00 10.00 C ATOM 577 OH TYR A 41 4.931 -5.387 -4.738 1.00 10.00 O ATOM 0 H TYR A 41 9.227 -10.890 -0.710 1.00 10.00 H new ATOM 0 HA TYR A 41 8.864 -7.967 -0.406 1.00 10.00 H new ATOM 0 HB2 TYR A 41 9.342 -9.052 -2.632 1.00 10.00 H new ATOM 0 HB3 TYR A 41 7.984 -10.135 -2.400 1.00 10.00 H new ATOM 0 HD1 TYR A 41 8.365 -6.424 -1.984 1.00 10.00 H new ATOM 0 HD2 TYR A 41 6.304 -9.616 -3.912 1.00 10.00 H new ATOM 0 HE1 TYR A 41 6.835 -4.757 -3.123 1.00 10.00 H new ATOM 0 HE2 TYR A 41 4.781 -7.939 -5.045 1.00 10.00 H new ATOM 0 HH TYR A 41 4.288 -5.863 -5.304 1.00 10.00 H new ATOM 587 N CYS A 42 6.839 -8.241 0.964 1.00 10.00 N ATOM 588 CA CYS A 42 5.572 -8.266 1.675 1.00 10.00 C ATOM 589 C CYS A 42 4.572 -7.399 0.906 1.00 10.00 C ATOM 590 O CYS A 42 4.955 -6.415 0.275 1.00 10.00 O ATOM 591 CB CYS A 42 5.728 -7.806 3.126 1.00 10.00 C ATOM 592 SG CYS A 42 6.784 -8.883 4.163 1.00 10.00 S ATOM 0 H CYS A 42 7.514 -7.564 1.319 1.00 10.00 H new ATOM 0 HA CYS A 42 5.201 -9.290 1.725 1.00 10.00 H new ATOM 0 HB2 CYS A 42 6.145 -6.799 3.130 1.00 10.00 H new ATOM 0 HB3 CYS A 42 4.739 -7.743 3.581 1.00 10.00 H new ATOM 597 N GLU A 43 3.311 -7.796 0.984 1.00 10.00 N ATOM 598 CA GLU A 43 2.301 -7.264 0.084 1.00 10.00 C ATOM 599 C GLU A 43 1.024 -6.931 0.857 1.00 10.00 C ATOM 600 O GLU A 43 0.593 -7.702 1.713 1.00 10.00 O ATOM 601 CB GLU A 43 2.013 -8.242 -1.056 1.00 10.00 C ATOM 602 CG GLU A 43 3.195 -8.318 -2.025 1.00 10.00 C ATOM 603 CD GLU A 43 2.872 -9.225 -3.214 1.00 10.00 C ATOM 604 OE1 GLU A 43 1.985 -8.900 -4.018 1.00 10.00 O ATOM 605 OE2 GLU A 43 3.579 -10.301 -3.288 1.00 10.00 O ATOM 0 H GLU A 43 2.965 -8.480 1.657 1.00 10.00 H new ATOM 0 HA GLU A 43 2.684 -6.345 -0.359 1.00 10.00 H new ATOM 0 HB2 GLU A 43 1.809 -9.232 -0.648 1.00 10.00 H new ATOM 0 HB3 GLU A 43 1.118 -7.927 -1.593 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.442 -7.318 -2.382 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.074 -8.696 -1.503 1.00 10.00 H new ATOM 613 N GLY A 44 0.453 -5.781 0.528 1.00 10.00 N ATOM 614 CA GLY A 44 -0.647 -5.241 1.308 1.00 10.00 C ATOM 615 C GLY A 44 -0.163 -4.756 2.676 1.00 10.00 C ATOM 616 O GLY A 44 -0.496 -5.348 3.702 1.00 10.00 O ATOM 0 H GLY A 44 0.732 -5.208 -0.269 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.109 -4.415 0.768 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -1.414 -6.005 1.439 1.00 10.00 H new ATOM 620 N LEU A 45 0.615 -3.684 2.647 1.00 10.00 N ATOM 621 CA LEU A 45 1.173 -3.132 3.870 1.00 10.00 C ATOM 622 C LEU A 45 0.316 -1.951 4.328 1.00 10.00 C ATOM 623 O LEU A 45 -0.377 -1.332 3.522 1.00 10.00 O ATOM 624 CB LEU A 45 2.650 -2.781 3.673 1.00 10.00 C ATOM 625 CG LEU A 45 3.607 -3.965 3.526 1.00 10.00 C ATOM 626 CD1 LEU A 45 4.853 -3.568 2.732 1.00 10.00 C ATOM 627 CD2 LEU A 45 3.962 -4.556 4.892 1.00 10.00 C ATOM 0 H LEU A 45 0.872 -3.183 1.796 1.00 10.00 H new ATOM 0 HA LEU A 45 1.149 -3.873 4.669 1.00 10.00 H new ATOM 0 HB2 LEU A 45 2.739 -2.155 2.785 1.00 10.00 H new ATOM 0 HB3 LEU A 45 2.976 -2.179 4.521 1.00 10.00 H new ATOM 0 HG LEU A 45 3.100 -4.746 2.959 1.00 10.00 H new ATOM 0 HD11 LEU A 45 5.517 -4.428 2.642 1.00 10.00 H new ATOM 0 HD12 LEU A 45 4.559 -3.231 1.738 1.00 10.00 H new ATOM 0 HD13 LEU A 45 5.372 -2.761 3.249 1.00 10.00 H new ATOM 0 HD21 LEU A 45 4.644 -5.396 4.759 1.00 10.00 H new ATOM 0 HD22 LEU A 45 4.442 -3.793 5.505 1.00 10.00 H new ATOM 0 HD23 LEU A 45 3.054 -4.900 5.387 1.00 10.00 H new ATOM 639 N PRO A 46 0.393 -1.666 5.656 1.00 10.00 N ATOM 640 CA PRO A 46 -0.045 -0.380 6.172 1.00 10.00 C ATOM 641 C PRO A 46 0.969 0.717 5.843 1.00 10.00 C ATOM 642 O PRO A 46 2.153 0.439 5.661 1.00 10.00 O ATOM 643 CB PRO A 46 -0.222 -0.596 7.667 1.00 10.00 C ATOM 644 CG PRO A 46 0.564 -1.853 8.002 1.00 10.00 C ATOM 645 CD PRO A 46 0.897 -2.557 6.697 1.00 10.00 C ATOM 0 HA PRO A 46 -0.976 -0.040 5.719 1.00 10.00 H new ATOM 0 HB2 PRO A 46 0.149 0.259 8.232 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -1.275 -0.714 7.923 1.00 10.00 H new ATOM 0 HG2 PRO A 46 1.476 -1.600 8.543 1.00 10.00 H new ATOM 0 HG3 PRO A 46 -0.020 -2.507 8.650 1.00 10.00 H new ATOM 0 HD2 PRO A 46 1.970 -2.717 6.596 1.00 10.00 H new ATOM 0 HD3 PRO A 46 0.423 -3.537 6.643 1.00 10.00 H new ATOM 653 N GLU A 47 0.467 1.941 5.776 1.00 10.00 N ATOM 654 CA GLU A 47 1.212 3.023 5.155 1.00 10.00 C ATOM 655 C GLU A 47 2.260 3.572 6.126 1.00 10.00 C ATOM 656 O GLU A 47 3.170 4.293 5.720 1.00 10.00 O ATOM 657 CB GLU A 47 0.273 4.132 4.677 1.00 10.00 C ATOM 658 CG GLU A 47 -0.623 3.640 3.539 1.00 10.00 C ATOM 659 CD GLU A 47 -1.559 4.750 3.058 1.00 10.00 C ATOM 660 OE1 GLU A 47 -2.744 4.764 3.423 1.00 10.00 O ATOM 661 OE2 GLU A 47 -1.016 5.622 2.278 1.00 10.00 O ATOM 0 H GLU A 47 -0.447 2.208 6.142 1.00 10.00 H new ATOM 0 HA GLU A 47 1.728 2.627 4.280 1.00 10.00 H new ATOM 0 HB2 GLU A 47 -0.344 4.474 5.508 1.00 10.00 H new ATOM 0 HB3 GLU A 47 0.858 4.988 4.340 1.00 10.00 H new ATOM 0 HG2 GLU A 47 -0.006 3.295 2.709 1.00 10.00 H new ATOM 0 HG3 GLU A 47 -1.210 2.786 3.877 1.00 10.00 H new ATOM 669 N ASN A 48 2.097 3.210 7.390 1.00 10.00 N ATOM 670 CA ASN A 48 2.953 3.740 8.437 1.00 10.00 C ATOM 671 C ASN A 48 4.348 3.125 8.310 1.00 10.00 C ATOM 672 O ASN A 48 5.334 3.721 8.740 1.00 10.00 O ATOM 673 CB ASN A 48 2.407 3.393 9.823 1.00 10.00 C ATOM 674 CG ASN A 48 2.389 1.878 10.041 1.00 10.00 C ATOM 675 OD1 ASN A 48 2.221 1.095 9.122 1.00 10.00 O ATOM 676 ND2 ASN A 48 2.570 1.512 11.307 1.00 10.00 N ATOM 0 H ASN A 48 1.384 2.556 7.713 1.00 10.00 H new ATOM 0 HA ASN A 48 2.991 4.824 8.325 1.00 10.00 H new ATOM 0 HB2 ASN A 48 3.021 3.867 10.589 1.00 10.00 H new ATOM 0 HB3 ASN A 48 1.398 3.792 9.931 1.00 10.00 H new ATOM 0 HD21 ASN A 48 2.574 0.523 11.556 1.00 10.00 H new ATOM 0 HD22 ASN A 48 2.705 2.220 12.028 1.00 10.00 H new ATOM 683 N ALA A 49 4.385 1.940 7.718 1.00 10.00 N ATOM 684 CA ALA A 49 5.639 1.224 7.556 1.00 10.00 C ATOM 685 C ALA A 49 6.363 1.746 6.313 1.00 10.00 C ATOM 686 O ALA A 49 5.825 1.692 5.208 1.00 10.00 O ATOM 687 CB ALA A 49 5.363 -0.279 7.482 1.00 10.00 C ATOM 0 H ALA A 49 3.567 1.458 7.345 1.00 10.00 H new ATOM 0 HA ALA A 49 6.291 1.394 8.413 1.00 10.00 H new ATOM 0 HB1 ALA A 49 6.304 -0.816 7.360 1.00 10.00 H new ATOM 0 HB2 ALA A 49 4.875 -0.605 8.401 1.00 10.00 H new ATOM 0 HB3 ALA A 49 4.713 -0.488 6.632 1.00 10.00 H new ATOM 693 N LYS A 50 7.572 2.239 6.535 1.00 10.00 N ATOM 694 CA LYS A 50 8.421 2.665 5.435 1.00 10.00 C ATOM 695 C LYS A 50 9.018 1.433 4.752 1.00 10.00 C ATOM 696 O LYS A 50 9.246 0.410 5.396 1.00 10.00 O ATOM 697 CB LYS A 50 9.469 3.666 5.924 1.00 10.00 C ATOM 698 CG LYS A 50 10.684 2.945 6.513 1.00 10.00 C ATOM 699 CD LYS A 50 11.810 2.836 5.483 1.00 10.00 C ATOM 700 CE LYS A 50 12.821 1.762 5.888 1.00 10.00 C ATOM 701 NZ LYS A 50 13.893 1.651 4.874 1.00 10.00 N ATOM 0 H LYS A 50 7.985 2.353 7.461 1.00 10.00 H new ATOM 0 HA LYS A 50 7.835 3.194 4.684 1.00 10.00 H new ATOM 0 HB2 LYS A 50 9.785 4.301 5.096 1.00 10.00 H new ATOM 0 HB3 LYS A 50 9.029 4.320 6.677 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.040 3.484 7.391 1.00 10.00 H new ATOM 0 HG3 LYS A 50 10.394 1.949 6.846 1.00 10.00 H new ATOM 0 HD2 LYS A 50 11.392 2.596 4.505 1.00 10.00 H new ATOM 0 HD3 LYS A 50 12.314 3.798 5.387 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.254 2.009 6.858 1.00 10.00 H new ATOM 0 HE3 LYS A 50 12.316 0.802 5.999 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 14.571 0.918 5.164 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 13.477 1.394 3.956 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 14.385 2.563 4.788 1.00 10.00 H new ATOM 714 N VAL A 51 9.256 1.572 3.456 1.00 10.00 N ATOM 715 CA VAL A 51 9.604 0.427 2.632 1.00 10.00 C ATOM 716 C VAL A 51 10.774 0.798 1.718 1.00 10.00 C ATOM 717 O VAL A 51 10.897 1.947 1.298 1.00 10.00 O ATOM 718 CB VAL A 51 8.373 -0.056 1.861 1.00 10.00 C ATOM 719 CG1 VAL A 51 7.373 -0.738 2.797 1.00 10.00 C ATOM 720 CG2 VAL A 51 7.715 1.097 1.101 1.00 10.00 C ATOM 0 H VAL A 51 9.215 2.460 2.956 1.00 10.00 H new ATOM 0 HA VAL A 51 9.929 -0.407 3.254 1.00 10.00 H new ATOM 0 HB VAL A 51 8.704 -0.793 1.129 1.00 10.00 H new ATOM 0 HG11 VAL A 51 6.508 -1.072 2.224 1.00 10.00 H new ATOM 0 HG12 VAL A 51 7.847 -1.597 3.272 1.00 10.00 H new ATOM 0 HG13 VAL A 51 7.051 -0.032 3.562 1.00 10.00 H new ATOM 0 HG21 VAL A 51 6.843 0.727 0.562 1.00 10.00 H new ATOM 0 HG22 VAL A 51 7.405 1.868 1.807 1.00 10.00 H new ATOM 0 HG23 VAL A 51 8.427 1.519 0.392 1.00 10.00 H new ATOM 730 N SER A 52 11.602 -0.197 1.438 1.00 10.00 N ATOM 731 CA SER A 52 12.466 -0.145 0.271 1.00 10.00 C ATOM 732 C SER A 52 11.694 -0.590 -0.972 1.00 10.00 C ATOM 733 O SER A 52 10.734 -1.353 -0.871 1.00 10.00 O ATOM 734 CB SER A 52 13.708 -1.018 0.465 1.00 10.00 C ATOM 735 OG SER A 52 14.329 -1.347 -0.774 1.00 10.00 O ATOM 0 H SER A 52 11.693 -1.044 1.999 1.00 10.00 H new ATOM 0 HA SER A 52 12.797 0.885 0.136 1.00 10.00 H new ATOM 0 HB2 SER A 52 14.423 -0.495 1.101 1.00 10.00 H new ATOM 0 HB3 SER A 52 13.429 -1.934 0.985 1.00 10.00 H new ATOM 0 HG SER A 52 15.090 -0.749 -0.928 1.00 10.00 H new ATOM 741 N ASP A 53 12.142 -0.095 -2.117 1.00 10.00 N ATOM 742 CA ASP A 53 11.581 -0.522 -3.387 1.00 10.00 C ATOM 743 C ASP A 53 12.636 -0.368 -4.484 1.00 10.00 C ATOM 744 O ASP A 53 12.318 0.020 -5.607 1.00 10.00 O ATOM 745 CB ASP A 53 10.372 0.333 -3.771 1.00 10.00 C ATOM 746 CG ASP A 53 10.643 1.837 -3.849 1.00 10.00 C ATOM 747 OD1 ASP A 53 10.557 2.554 -2.841 1.00 10.00 O ATOM 748 OD2 ASP A 53 10.958 2.275 -5.021 1.00 10.00 O ATOM 0 H ASP A 53 12.887 0.598 -2.191 1.00 10.00 H new ATOM 0 HA ASP A 53 11.270 -1.562 -3.285 1.00 10.00 H new ATOM 0 HB2 ASP A 53 10.000 -0.005 -4.738 1.00 10.00 H new ATOM 0 HB3 ASP A 53 9.578 0.159 -3.045 1.00 10.00 H new ATOM 754 N SER A 54 13.872 -0.680 -4.120 1.00 10.00 N ATOM 755 CA SER A 54 14.992 -0.474 -5.022 1.00 10.00 C ATOM 756 C SER A 54 16.114 -1.463 -4.697 1.00 10.00 C ATOM 757 O SER A 54 17.212 -1.058 -4.317 1.00 10.00 O ATOM 758 CB SER A 54 15.510 0.963 -4.938 1.00 10.00 C ATOM 759 OG SER A 54 15.676 1.392 -3.589 1.00 10.00 O ATOM 0 H SER A 54 14.122 -1.074 -3.213 1.00 10.00 H new ATOM 0 HA SER A 54 14.647 -0.648 -6.041 1.00 10.00 H new ATOM 0 HB2 SER A 54 16.463 1.036 -5.462 1.00 10.00 H new ATOM 0 HB3 SER A 54 14.814 1.630 -5.448 1.00 10.00 H new ATOM 0 HG SER A 54 16.057 0.662 -3.058 1.00 10.00 H new ATOM 765 N ALA A 55 15.799 -2.740 -4.858 1.00 10.00 N ATOM 766 CA ALA A 55 16.806 -3.780 -4.732 1.00 10.00 C ATOM 767 C ALA A 55 17.470 -3.678 -3.358 1.00 10.00 C ATOM 768 O ALA A 55 18.691 -3.566 -3.261 1.00 10.00 O ATOM 769 CB ALA A 55 17.813 -3.657 -5.877 1.00 10.00 C ATOM 0 H ALA A 55 14.861 -3.078 -5.074 1.00 10.00 H new ATOM 0 HA ALA A 55 16.349 -4.767 -4.804 1.00 10.00 H new ATOM 0 HB1 ALA A 55 18.568 -4.437 -5.783 1.00 10.00 H new ATOM 0 HB2 ALA A 55 17.295 -3.767 -6.830 1.00 10.00 H new ATOM 0 HB3 ALA A 55 18.294 -2.680 -5.835 1.00 10.00 H new ATOM 775 N THR A 56 16.636 -3.719 -2.329 1.00 10.00 N ATOM 776 CA THR A 56 17.127 -3.917 -0.975 1.00 10.00 C ATOM 777 C THR A 56 17.700 -2.612 -0.420 1.00 10.00 C ATOM 778 O THR A 56 17.127 -2.016 0.491 1.00 10.00 O ATOM 779 CB THR A 56 18.140 -5.063 -1.003 1.00 10.00 C ATOM 780 OG1 THR A 56 17.552 -6.026 -1.873 1.00 10.00 O ATOM 781 CG2 THR A 56 18.242 -5.788 0.341 1.00 10.00 C ATOM 0 H THR A 56 15.624 -3.619 -2.405 1.00 10.00 H new ATOM 0 HA THR A 56 16.320 -4.195 -0.297 1.00 10.00 H new ATOM 0 HB THR A 56 19.120 -4.674 -1.281 1.00 10.00 H new ATOM 0 HG1 THR A 56 18.145 -6.803 -1.949 1.00 10.00 H new ATOM 0 HG21 THR A 56 18.974 -6.592 0.266 1.00 10.00 H new ATOM 0 HG22 THR A 56 18.554 -5.083 1.112 1.00 10.00 H new ATOM 0 HG23 THR A 56 17.270 -6.206 0.604 1.00 10.00 H new ATOM 789 N ASN A 57 18.825 -2.207 -0.991 1.00 10.00 N ATOM 790 CA ASN A 57 19.606 -1.123 -0.419 1.00 10.00 C ATOM 791 C ASN A 57 19.540 -1.203 1.108 1.00 10.00 C ATOM 792 O ASN A 57 19.397 -0.184 1.781 1.00 10.00 O ATOM 793 CB ASN A 57 19.054 0.238 -0.845 1.00 10.00 C ATOM 794 CG ASN A 57 17.572 0.366 -0.487 1.00 10.00 C ATOM 795 OD1 ASN A 57 16.690 -0.026 -1.234 1.00 10.00 O ATOM 796 ND2 ASN A 57 17.348 0.933 0.694 1.00 10.00 N ATOM 0 H ASN A 57 19.214 -2.610 -1.843 1.00 10.00 H new ATOM 0 HA ASN A 57 20.632 -1.223 -0.774 1.00 10.00 H new ATOM 0 HB2 ASN A 57 19.619 1.032 -0.357 1.00 10.00 H new ATOM 0 HB3 ASN A 57 19.185 0.367 -1.919 1.00 10.00 H new ATOM 0 HD21 ASN A 57 16.392 1.062 1.024 1.00 10.00 H new ATOM 0 HD22 ASN A 57 18.132 1.239 1.270 1.00 10.00 H new ATOM 803 N ILE A 58 19.649 -2.425 1.609 1.00 10.00 N ATOM 804 CA ILE A 58 19.438 -2.673 3.025 1.00 10.00 C ATOM 805 C ILE A 58 20.386 -3.780 3.491 1.00 10.00 C ATOM 806 O ILE A 58 20.819 -4.609 2.691 1.00 10.00 O ATOM 807 CB ILE A 58 17.963 -2.970 3.304 1.00 10.00 C ATOM 808 CG1 ILE A 58 17.196 -1.684 3.618 1.00 10.00 C ATOM 809 CG2 ILE A 58 17.814 -4.013 4.413 1.00 10.00 C ATOM 810 CD1 ILE A 58 15.692 -1.880 3.414 1.00 10.00 C ATOM 0 H ILE A 58 19.880 -3.253 1.060 1.00 10.00 H new ATOM 0 HA ILE A 58 19.675 -1.782 3.607 1.00 10.00 H new ATOM 0 HB ILE A 58 17.523 -3.395 2.402 1.00 10.00 H new ATOM 0 HG12 ILE A 58 17.391 -1.382 4.647 1.00 10.00 H new ATOM 0 HG13 ILE A 58 17.552 -0.878 2.976 1.00 10.00 H new ATOM 0 HG21 ILE A 58 16.756 -4.206 4.591 1.00 10.00 H new ATOM 0 HG22 ILE A 58 18.305 -4.938 4.111 1.00 10.00 H new ATOM 0 HG23 ILE A 58 18.274 -3.640 5.328 1.00 10.00 H new ATOM 0 HD11 ILE A 58 15.170 -0.951 3.644 1.00 10.00 H new ATOM 0 HD12 ILE A 58 15.499 -2.158 2.378 1.00 10.00 H new ATOM 0 HD13 ILE A 58 15.335 -2.670 4.075 1.00 10.00 H new ATOM 822 N CYS A 59 20.682 -3.758 4.782 1.00 10.00 N ATOM 823 CA CYS A 59 21.737 -4.598 5.323 1.00 10.00 C ATOM 824 C CYS A 59 21.665 -5.963 4.636 1.00 10.00 C ATOM 825 O CYS A 59 22.639 -6.411 4.033 1.00 10.00 O ATOM 826 CB CYS A 59 21.640 -4.718 6.845 1.00 10.00 C ATOM 827 SG CYS A 59 20.999 -3.229 7.694 1.00 10.00 S ATOM 0 H CYS A 59 20.209 -3.171 5.470 1.00 10.00 H new ATOM 0 HA CYS A 59 22.707 -4.143 5.122 1.00 10.00 H new ATOM 0 HB2 CYS A 59 20.996 -5.563 7.088 1.00 10.00 H new ATOM 0 HB3 CYS A 59 22.629 -4.947 7.241 1.00 10.00 H new ATOM 832 N GLY A 60 20.501 -6.586 4.751 1.00 10.00 N ATOM 833 CA GLY A 60 20.273 -7.869 4.107 1.00 10.00 C ATOM 834 C GLY A 60 20.876 -9.010 4.928 1.00 10.00 C ATOM 835 O GLY A 60 20.185 -9.969 5.266 1.00 10.00 O ATOM 0 H GLY A 60 19.706 -6.227 5.280 1.00 10.00 H new ATOM 0 HA2 GLY A 60 19.202 -8.032 3.983 1.00 10.00 H new ATOM 0 HA3 GLY A 60 20.712 -7.862 3.110 1.00 10.00 H new TER 839 GLY A 60