USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 290 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 Single : A 1 CYS N :NH3+ -142:sc= 0.528 (180deg=0.114) USER MOD Single : A 3 SER OG : rot 171:sc= -0.894 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -1.36 K(o=-1.4,f=-2) USER MOD Single : A 10 ASN : amide:sc= -0.428 K(o=-0.43,f=-12!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -39:sc= 0.241 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.5) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.778 K(o=-0.78,f=-2.2) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.639 -0.864 0.197 1.00 23.13 N ATOM 2 CA CYS A 1 2.320 -0.758 -1.087 1.00 42.24 C ATOM 3 C CYS A 1 3.544 -1.668 -1.131 1.00 63.01 C ATOM 4 O CYS A 1 4.110 -2.015 -0.095 1.00 11.12 O ATOM 5 CB CYS A 1 2.739 0.691 -1.348 1.00 75.42 C ATOM 6 SG CYS A 1 3.575 1.488 0.060 1.00 62.01 S ATOM 0 H1 CYS A 1 0.610 -0.823 0.049 1.00 23.13 H new ATOM 0 H2 CYS A 1 1.888 -1.767 0.648 1.00 23.13 H new ATOM 0 H3 CYS A 1 1.932 -0.078 0.811 1.00 23.13 H new ATOM 0 HA CYS A 1 1.625 -1.075 -1.865 1.00 42.24 H new ATOM 0 HB2 CYS A 1 3.403 0.716 -2.212 1.00 75.42 H new ATOM 0 HB3 CYS A 1 1.855 1.272 -1.608 1.00 75.42 H new ATOM 11 N ALA A 2 3.947 -2.051 -2.338 1.00 43.44 N ATOM 12 CA ALA A 2 5.105 -2.918 -2.518 1.00 11.00 C ATOM 13 C ALA A 2 6.403 -2.166 -2.244 1.00 14.54 C ATOM 14 O ALA A 2 6.467 -0.945 -2.392 1.00 31.22 O ATOM 15 CB ALA A 2 5.116 -3.498 -3.924 1.00 63.53 C ATOM 0 H ALA A 2 3.488 -1.774 -3.206 1.00 43.44 H new ATOM 0 HA ALA A 2 5.031 -3.735 -1.800 1.00 11.00 H new ATOM 0 HB1 ALA A 2 5.986 -4.143 -4.045 1.00 63.53 H new ATOM 0 HB2 ALA A 2 4.208 -4.079 -4.085 1.00 63.53 H new ATOM 0 HB3 ALA A 2 5.162 -2.688 -4.652 1.00 63.53 H new ATOM 21 N SER A 3 7.434 -2.901 -1.842 1.00 63.23 N ATOM 22 CA SER A 3 8.730 -2.302 -1.543 1.00 33.22 C ATOM 23 C SER A 3 9.667 -2.408 -2.742 1.00 24.14 C ATOM 24 O SER A 3 9.274 -2.868 -3.814 1.00 43.30 O ATOM 25 CB SER A 3 9.360 -2.982 -0.326 1.00 4.11 C ATOM 26 OG SER A 3 8.367 -3.424 0.583 1.00 62.51 O ATOM 0 H SER A 3 7.398 -3.912 -1.716 1.00 63.23 H new ATOM 0 HA SER A 3 8.573 -1.247 -1.320 1.00 33.22 H new ATOM 0 HB2 SER A 3 9.963 -3.830 -0.651 1.00 4.11 H new ATOM 0 HB3 SER A 3 10.033 -2.286 0.176 1.00 4.11 H new ATOM 0 HG SER A 3 8.782 -3.980 1.276 1.00 62.51 H new ATOM 32 N LYS A 4 10.911 -1.979 -2.552 1.00 35.01 N ATOM 33 CA LYS A 4 11.907 -2.025 -3.615 1.00 61.52 C ATOM 34 C LYS A 4 12.236 -3.467 -3.991 1.00 34.05 C ATOM 35 O LYS A 4 12.605 -4.271 -3.137 1.00 25.55 O ATOM 36 CB LYS A 4 13.181 -1.298 -3.180 1.00 41.44 C ATOM 37 CG LYS A 4 14.122 -0.978 -4.330 1.00 34.44 C ATOM 38 CD LYS A 4 15.393 -0.307 -3.839 1.00 45.03 C ATOM 39 CE LYS A 4 15.258 1.208 -3.836 1.00 23.00 C ATOM 40 NZ LYS A 4 16.107 1.843 -4.882 1.00 25.13 N ATOM 0 H LYS A 4 11.253 -1.595 -1.671 1.00 35.01 H new ATOM 0 HA LYS A 4 11.491 -1.525 -4.490 1.00 61.52 H new ATOM 0 HB2 LYS A 4 12.906 -0.371 -2.677 1.00 41.44 H new ATOM 0 HB3 LYS A 4 13.708 -1.912 -2.450 1.00 41.44 H new ATOM 0 HG2 LYS A 4 14.375 -1.896 -4.860 1.00 34.44 H new ATOM 0 HG3 LYS A 4 13.618 -0.326 -5.044 1.00 34.44 H new ATOM 0 HD2 LYS A 4 15.624 -0.655 -2.832 1.00 45.03 H new ATOM 0 HD3 LYS A 4 16.229 -0.598 -4.476 1.00 45.03 H new ATOM 0 HE2 LYS A 4 14.215 1.480 -4.000 1.00 23.00 H new ATOM 0 HE3 LYS A 4 15.538 1.596 -2.856 1.00 23.00 H new ATOM 0 HZ1 LYS A 4 15.987 2.875 -4.847 1.00 25.13 H new ATOM 0 HZ2 LYS A 4 17.105 1.605 -4.711 1.00 25.13 H new ATOM 0 HZ3 LYS A 4 15.823 1.493 -5.819 1.00 25.13 H new ATOM 54 N ASN A 5 12.099 -3.785 -5.274 1.00 31.54 N ATOM 55 CA ASN A 5 12.382 -5.130 -5.762 1.00 23.33 C ATOM 56 C ASN A 5 11.315 -6.115 -5.293 1.00 64.11 C ATOM 57 O ASN A 5 11.524 -7.327 -5.314 1.00 64.53 O ATOM 58 CB ASN A 5 13.761 -5.589 -5.283 1.00 42.01 C ATOM 59 CG ASN A 5 14.786 -4.472 -5.316 1.00 40.44 C ATOM 60 OD1 ASN A 5 14.861 -3.711 -6.282 1.00 33.41 O ATOM 61 ND2 ASN A 5 15.582 -4.368 -4.259 1.00 3.32 N ATOM 0 H ASN A 5 11.794 -3.130 -5.994 1.00 31.54 H new ATOM 0 HA ASN A 5 12.373 -5.103 -6.852 1.00 23.33 H new ATOM 0 HB2 ASN A 5 13.680 -5.974 -4.266 1.00 42.01 H new ATOM 0 HB3 ASN A 5 14.105 -6.412 -5.909 1.00 42.01 H new ATOM 0 HD21 ASN A 5 16.291 -3.636 -4.225 1.00 3.32 H new ATOM 0 HD22 ASN A 5 15.485 -5.020 -3.481 1.00 3.32 H new ATOM 68 N GLU A 6 10.172 -5.584 -4.871 1.00 60.12 N ATOM 69 CA GLU A 6 9.073 -6.417 -4.397 1.00 52.14 C ATOM 70 C GLU A 6 7.991 -6.549 -5.466 1.00 20.44 C ATOM 71 O GLU A 6 7.851 -5.687 -6.333 1.00 0.34 O ATOM 72 CB GLU A 6 8.473 -5.829 -3.118 1.00 72.15 C ATOM 73 CG GLU A 6 9.301 -6.105 -1.875 1.00 3.21 C ATOM 74 CD GLU A 6 8.502 -5.951 -0.596 1.00 1.35 C ATOM 75 OE1 GLU A 6 7.289 -5.668 -0.685 1.00 73.41 O ATOM 76 OE2 GLU A 6 9.089 -6.112 0.495 1.00 42.04 O ATOM 0 H GLU A 6 9.983 -4.582 -4.848 1.00 60.12 H new ATOM 0 HA GLU A 6 9.469 -7.409 -4.181 1.00 52.14 H new ATOM 0 HB2 GLU A 6 8.364 -4.751 -3.240 1.00 72.15 H new ATOM 0 HB3 GLU A 6 7.472 -6.236 -2.976 1.00 72.15 H new ATOM 0 HG2 GLU A 6 9.703 -7.117 -1.928 1.00 3.21 H new ATOM 0 HG3 GLU A 6 10.152 -5.424 -1.851 1.00 3.21 H new ATOM 83 N ARG A 7 7.229 -7.636 -5.396 1.00 61.00 N ATOM 84 CA ARG A 7 6.161 -7.883 -6.357 1.00 62.23 C ATOM 85 C ARG A 7 5.057 -6.838 -6.224 1.00 63.22 C ATOM 86 O ARG A 7 4.657 -6.479 -5.116 1.00 64.52 O ATOM 87 CB ARG A 7 5.579 -9.284 -6.157 1.00 3.45 C ATOM 88 CG ARG A 7 5.113 -9.551 -4.735 1.00 32.31 C ATOM 89 CD ARG A 7 5.655 -10.871 -4.210 1.00 20.51 C ATOM 90 NE ARG A 7 4.761 -11.987 -4.507 1.00 71.30 N ATOM 91 CZ ARG A 7 5.059 -13.256 -4.251 1.00 31.23 C ATOM 92 NH1 ARG A 7 6.221 -13.568 -3.695 1.00 24.41 N ATOM 93 NH2 ARG A 7 4.193 -14.216 -4.550 1.00 52.10 N ATOM 0 H ARG A 7 7.332 -8.359 -4.684 1.00 61.00 H new ATOM 0 HA ARG A 7 6.585 -7.813 -7.359 1.00 62.23 H new ATOM 0 HB2 ARG A 7 4.739 -9.420 -6.838 1.00 3.45 H new ATOM 0 HB3 ARG A 7 6.332 -10.024 -6.429 1.00 3.45 H new ATOM 0 HG2 ARG A 7 5.439 -8.739 -4.086 1.00 32.31 H new ATOM 0 HG3 ARG A 7 4.024 -9.566 -4.705 1.00 32.31 H new ATOM 0 HD2 ARG A 7 6.633 -11.063 -4.652 1.00 20.51 H new ATOM 0 HD3 ARG A 7 5.800 -10.800 -3.132 1.00 20.51 H new ATOM 0 HE ARG A 7 3.858 -11.781 -4.934 1.00 71.30 H new ATOM 0 HH11 ARG A 7 6.889 -12.833 -3.463 1.00 24.41 H new ATOM 0 HH12 ARG A 7 6.447 -14.543 -3.499 1.00 24.41 H new ATOM 0 HH21 ARG A 7 3.297 -13.980 -4.977 1.00 52.10 H new ATOM 0 HH22 ARG A 7 4.423 -15.190 -4.353 1.00 52.10 H new ATOM 107 N CYS A 8 4.569 -6.353 -7.361 1.00 1.22 N ATOM 108 CA CYS A 8 3.512 -5.348 -7.373 1.00 25.44 C ATOM 109 C CYS A 8 2.402 -5.739 -8.344 1.00 11.43 C ATOM 110 O CYS A 8 2.413 -6.831 -8.910 1.00 3.30 O ATOM 111 CB CYS A 8 4.083 -3.982 -7.756 1.00 44.31 C ATOM 112 SG CYS A 8 4.941 -3.959 -9.363 1.00 42.40 S ATOM 0 H CYS A 8 4.889 -6.640 -8.286 1.00 1.22 H new ATOM 0 HA CYS A 8 3.089 -5.289 -6.370 1.00 25.44 H new ATOM 0 HB2 CYS A 8 3.272 -3.254 -7.779 1.00 44.31 H new ATOM 0 HB3 CYS A 8 4.778 -3.660 -6.980 1.00 44.31 H new ATOM 117 N GLY A 9 1.443 -4.837 -8.531 1.00 41.42 N ATOM 118 CA GLY A 9 0.339 -5.104 -9.434 1.00 32.51 C ATOM 119 C GLY A 9 0.232 -4.074 -10.541 1.00 31.42 C ATOM 120 O GLY A 9 0.750 -2.966 -10.418 1.00 4.30 O ATOM 0 H GLY A 9 1.411 -3.926 -8.073 1.00 41.42 H new ATOM 0 HA2 GLY A 9 0.465 -6.093 -9.874 1.00 32.51 H new ATOM 0 HA3 GLY A 9 -0.592 -5.123 -8.868 1.00 32.51 H new ATOM 124 N ASN A 10 -0.442 -4.442 -11.626 1.00 23.10 N ATOM 125 CA ASN A 10 -0.613 -3.542 -12.761 1.00 1.03 C ATOM 126 C ASN A 10 -1.740 -4.021 -13.670 1.00 72.41 C ATOM 127 O ASN A 10 -1.611 -5.036 -14.354 1.00 64.21 O ATOM 128 CB ASN A 10 0.690 -3.437 -13.556 1.00 72.33 C ATOM 129 CG ASN A 10 0.658 -2.312 -14.572 1.00 53.05 C ATOM 130 OD1 ASN A 10 -0.399 -1.971 -15.105 1.00 23.23 O ATOM 131 ND2 ASN A 10 1.819 -1.729 -14.846 1.00 61.35 N ATOM 0 H ASN A 10 -0.878 -5.356 -11.743 1.00 23.10 H new ATOM 0 HA ASN A 10 -0.876 -2.557 -12.376 1.00 1.03 H new ATOM 0 HB2 ASN A 10 1.520 -3.278 -12.868 1.00 72.33 H new ATOM 0 HB3 ASN A 10 0.877 -4.381 -14.069 1.00 72.33 H new ATOM 0 HD21 ASN A 10 1.860 -0.966 -15.522 1.00 61.35 H new ATOM 0 HD22 ASN A 10 2.670 -2.044 -14.381 1.00 61.35 H new ATOM 138 N ALA A 11 -2.846 -3.284 -13.672 1.00 44.33 N ATOM 139 CA ALA A 11 -3.995 -3.631 -14.499 1.00 65.51 C ATOM 140 C ALA A 11 -3.626 -3.634 -15.979 1.00 4.43 C ATOM 141 O ALA A 11 -4.192 -4.390 -16.769 1.00 43.23 O ATOM 142 CB ALA A 11 -5.142 -2.667 -14.241 1.00 12.43 C ATOM 0 H ALA A 11 -2.970 -2.442 -13.110 1.00 44.33 H new ATOM 0 HA ALA A 11 -4.314 -4.638 -14.229 1.00 65.51 H new ATOM 0 HB1 ALA A 11 -5.993 -2.939 -14.866 1.00 12.43 H new ATOM 0 HB2 ALA A 11 -5.431 -2.718 -13.191 1.00 12.43 H new ATOM 0 HB3 ALA A 11 -4.825 -1.652 -14.481 1.00 12.43 H new ATOM 148 N LEU A 12 -2.674 -2.783 -16.348 1.00 13.15 N ATOM 149 CA LEU A 12 -2.230 -2.686 -17.734 1.00 22.04 C ATOM 150 C LEU A 12 -1.666 -4.018 -18.219 1.00 53.31 C ATOM 151 O LEU A 12 -1.618 -4.282 -19.421 1.00 2.23 O ATOM 152 CB LEU A 12 -1.173 -1.590 -17.875 1.00 45.34 C ATOM 153 CG LEU A 12 -1.106 -0.893 -19.235 1.00 32.01 C ATOM 154 CD1 LEU A 12 -1.700 0.504 -19.148 1.00 54.22 C ATOM 155 CD2 LEU A 12 0.330 -0.834 -19.734 1.00 41.23 C ATOM 0 H LEU A 12 -2.195 -2.151 -15.707 1.00 13.15 H new ATOM 0 HA LEU A 12 -3.093 -2.432 -18.350 1.00 22.04 H new ATOM 0 HB2 LEU A 12 -1.357 -0.835 -17.111 1.00 45.34 H new ATOM 0 HB3 LEU A 12 -0.196 -2.026 -17.664 1.00 45.34 H new ATOM 0 HG LEU A 12 -1.693 -1.472 -19.948 1.00 32.01 H new ATOM 0 HD11 LEU A 12 -1.644 0.985 -20.125 1.00 54.22 H new ATOM 0 HD12 LEU A 12 -2.742 0.437 -18.836 1.00 54.22 H new ATOM 0 HD13 LEU A 12 -1.140 1.093 -18.421 1.00 54.22 H new ATOM 0 HD21 LEU A 12 0.358 -0.335 -20.703 1.00 41.23 H new ATOM 0 HD22 LEU A 12 0.940 -0.279 -19.022 1.00 41.23 H new ATOM 0 HD23 LEU A 12 0.722 -1.846 -19.836 1.00 41.23 H new ATOM 167 N TYR A 13 -1.243 -4.854 -17.277 1.00 55.43 N ATOM 168 CA TYR A 13 -0.683 -6.158 -17.609 1.00 32.32 C ATOM 169 C TYR A 13 -1.590 -7.282 -17.117 1.00 14.22 C ATOM 170 O TYR A 13 -1.163 -8.428 -16.985 1.00 50.14 O ATOM 171 CB TYR A 13 0.711 -6.308 -16.997 1.00 73.42 C ATOM 172 CG TYR A 13 1.819 -5.773 -17.876 1.00 75.01 C ATOM 173 CD1 TYR A 13 2.450 -6.589 -18.806 1.00 62.12 C ATOM 174 CD2 TYR A 13 2.233 -4.450 -17.777 1.00 33.42 C ATOM 175 CE1 TYR A 13 3.463 -6.104 -19.611 1.00 22.35 C ATOM 176 CE2 TYR A 13 3.244 -3.956 -18.578 1.00 71.52 C ATOM 177 CZ TYR A 13 3.856 -4.787 -19.493 1.00 24.40 C ATOM 178 OH TYR A 13 4.864 -4.300 -20.293 1.00 61.34 O ATOM 0 H TYR A 13 -1.277 -4.652 -16.278 1.00 55.43 H new ATOM 0 HA TYR A 13 -0.606 -6.226 -18.694 1.00 32.32 H new ATOM 0 HB2 TYR A 13 0.736 -5.789 -16.039 1.00 73.42 H new ATOM 0 HB3 TYR A 13 0.898 -7.362 -16.793 1.00 73.42 H new ATOM 0 HD1 TYR A 13 2.144 -7.620 -18.902 1.00 62.12 H new ATOM 0 HD2 TYR A 13 1.756 -3.797 -17.061 1.00 33.42 H new ATOM 0 HE1 TYR A 13 3.944 -6.752 -20.328 1.00 22.35 H new ATOM 0 HE2 TYR A 13 3.553 -2.925 -18.488 1.00 71.52 H new ATOM 0 HH TYR A 13 5.019 -3.355 -20.085 1.00 61.34 H new ATOM 188 N GLY A 14 -2.848 -6.943 -16.846 1.00 64.25 N ATOM 189 CA GLY A 14 -3.797 -7.933 -16.372 1.00 61.24 C ATOM 190 C GLY A 14 -3.342 -8.607 -15.093 1.00 64.23 C ATOM 191 O GLY A 14 -3.735 -9.738 -14.804 1.00 5.12 O ATOM 0 H GLY A 14 -3.226 -6.001 -16.946 1.00 64.25 H new ATOM 0 HA2 GLY A 14 -4.762 -7.455 -16.204 1.00 61.24 H new ATOM 0 HA3 GLY A 14 -3.946 -8.688 -17.144 1.00 61.24 H new ATOM 195 N THR A 15 -2.508 -7.913 -14.324 1.00 55.24 N ATOM 196 CA THR A 15 -1.997 -8.452 -13.071 1.00 3.23 C ATOM 197 C THR A 15 -2.499 -7.644 -11.879 1.00 61.34 C ATOM 198 O THR A 15 -2.342 -6.424 -11.833 1.00 13.05 O ATOM 199 CB THR A 15 -0.456 -8.468 -13.053 1.00 55.52 C ATOM 200 OG1 THR A 15 0.044 -7.152 -12.787 1.00 71.43 O ATOM 201 CG2 THR A 15 0.095 -8.967 -14.380 1.00 52.43 C ATOM 0 H THR A 15 -2.173 -6.976 -14.548 1.00 55.24 H new ATOM 0 HA THR A 15 -2.365 -9.475 -12.994 1.00 3.23 H new ATOM 0 HB THR A 15 -0.130 -9.146 -12.264 1.00 55.52 H new ATOM 0 HG1 THR A 15 -0.504 -6.492 -13.261 1.00 71.43 H new ATOM 0 HG21 THR A 15 1.184 -8.970 -14.344 1.00 52.43 H new ATOM 0 HG22 THR A 15 -0.264 -9.979 -14.566 1.00 52.43 H new ATOM 0 HG23 THR A 15 -0.240 -8.310 -15.183 1.00 52.43 H new ATOM 209 N LYS A 16 -3.103 -8.332 -10.917 1.00 21.45 N ATOM 210 CA LYS A 16 -3.627 -7.680 -9.723 1.00 31.04 C ATOM 211 C LYS A 16 -2.631 -7.770 -8.571 1.00 64.43 C ATOM 212 O LYS A 16 -2.194 -8.859 -8.199 1.00 51.33 O ATOM 213 CB LYS A 16 -4.957 -8.316 -9.311 1.00 41.11 C ATOM 214 CG LYS A 16 -4.880 -9.822 -9.127 1.00 1.54 C ATOM 215 CD LYS A 16 -5.856 -10.546 -10.038 1.00 55.31 C ATOM 216 CE LYS A 16 -7.162 -10.857 -9.322 1.00 4.23 C ATOM 217 NZ LYS A 16 -8.337 -10.720 -10.226 1.00 0.42 N ATOM 0 H LYS A 16 -3.242 -9.342 -10.941 1.00 21.45 H new ATOM 0 HA LYS A 16 -3.791 -6.628 -9.957 1.00 31.04 H new ATOM 0 HB2 LYS A 16 -5.294 -7.861 -8.380 1.00 41.11 H new ATOM 0 HB3 LYS A 16 -5.708 -8.089 -10.067 1.00 41.11 H new ATOM 0 HG2 LYS A 16 -3.866 -10.163 -9.334 1.00 1.54 H new ATOM 0 HG3 LYS A 16 -5.095 -10.074 -8.089 1.00 1.54 H new ATOM 0 HD2 LYS A 16 -6.058 -9.933 -10.916 1.00 55.31 H new ATOM 0 HD3 LYS A 16 -5.405 -11.473 -10.393 1.00 55.31 H new ATOM 0 HE2 LYS A 16 -7.126 -11.871 -8.925 1.00 4.23 H new ATOM 0 HE3 LYS A 16 -7.278 -10.186 -8.471 1.00 4.23 H new ATOM 0 HZ1 LYS A 16 -9.207 -10.940 -9.700 1.00 0.42 H new ATOM 0 HZ2 LYS A 16 -8.387 -9.745 -10.585 1.00 0.42 H new ATOM 0 HZ3 LYS A 16 -8.239 -11.379 -11.025 1.00 0.42 H new ATOM 231 N GLY A 17 -2.276 -6.619 -8.010 1.00 4.53 N ATOM 232 CA GLY A 17 -1.334 -6.591 -6.906 1.00 13.44 C ATOM 233 C GLY A 17 -1.130 -5.194 -6.353 1.00 43.23 C ATOM 234 O GLY A 17 -1.646 -4.211 -6.886 1.00 2.14 O ATOM 0 H GLY A 17 -2.624 -5.705 -8.300 1.00 4.53 H new ATOM 0 HA2 GLY A 17 -1.692 -7.245 -6.110 1.00 13.44 H new ATOM 0 HA3 GLY A 17 -0.376 -6.990 -7.240 1.00 13.44 H new ATOM 238 N PRO A 18 -0.361 -5.093 -5.259 1.00 12.24 N ATOM 239 CA PRO A 18 -0.073 -3.811 -4.609 1.00 52.52 C ATOM 240 C PRO A 18 0.840 -2.926 -5.452 1.00 30.45 C ATOM 241 O PRO A 18 1.690 -3.421 -6.191 1.00 32.12 O ATOM 242 CB PRO A 18 0.627 -4.220 -3.311 1.00 44.22 C ATOM 243 CG PRO A 18 1.226 -5.552 -3.607 1.00 54.43 C ATOM 244 CD PRO A 18 0.286 -6.223 -4.571 1.00 2.51 C ATOM 0 HA PRO A 18 -0.976 -3.221 -4.454 1.00 52.52 H new ATOM 0 HB2 PRO A 18 1.391 -3.496 -3.028 1.00 44.22 H new ATOM 0 HB3 PRO A 18 -0.079 -4.279 -2.482 1.00 44.22 H new ATOM 0 HG2 PRO A 18 2.220 -5.445 -4.041 1.00 54.43 H new ATOM 0 HG3 PRO A 18 1.338 -6.141 -2.697 1.00 54.43 H new ATOM 0 HD2 PRO A 18 0.820 -6.867 -5.270 1.00 2.51 H new ATOM 0 HD3 PRO A 18 -0.442 -6.848 -4.053 1.00 2.51 H new ATOM 252 N GLY A 19 0.659 -1.614 -5.334 1.00 72.32 N ATOM 253 CA GLY A 19 1.474 -0.682 -6.091 1.00 23.23 C ATOM 254 C GLY A 19 2.747 -0.301 -5.361 1.00 11.41 C ATOM 255 O GLY A 19 2.798 -0.329 -4.131 1.00 4.21 O ATOM 0 H GLY A 19 -0.037 -1.180 -4.728 1.00 72.32 H new ATOM 0 HA2 GLY A 19 1.729 -1.126 -7.053 1.00 23.23 H new ATOM 0 HA3 GLY A 19 0.894 0.218 -6.298 1.00 23.23 H new ATOM 259 N CYS A 20 3.778 0.056 -6.120 1.00 31.24 N ATOM 260 CA CYS A 20 5.058 0.443 -5.539 1.00 32.34 C ATOM 261 C CYS A 20 4.913 1.706 -4.695 1.00 52.35 C ATOM 262 O CYS A 20 4.339 2.701 -5.141 1.00 24.11 O ATOM 263 CB CYS A 20 6.095 0.668 -6.641 1.00 13.01 C ATOM 264 SG CYS A 20 6.419 -0.801 -7.668 1.00 53.14 S ATOM 0 H CYS A 20 3.752 0.085 -7.139 1.00 31.24 H new ATOM 0 HA CYS A 20 5.395 -0.367 -4.893 1.00 32.34 H new ATOM 0 HB2 CYS A 20 5.756 1.480 -7.284 1.00 13.01 H new ATOM 0 HB3 CYS A 20 7.030 0.992 -6.184 1.00 13.01 H new ATOM 269 N CYS A 21 5.437 1.660 -3.475 1.00 74.11 N ATOM 270 CA CYS A 21 5.366 2.799 -2.568 1.00 43.34 C ATOM 271 C CYS A 21 5.872 4.068 -3.249 1.00 54.22 C ATOM 272 O CYS A 21 5.219 5.110 -3.206 1.00 73.10 O ATOM 273 CB CYS A 21 6.185 2.524 -1.306 1.00 1.23 C ATOM 274 SG CYS A 21 5.520 1.184 -0.266 1.00 4.43 S ATOM 0 H CYS A 21 5.916 0.845 -3.091 1.00 74.11 H new ATOM 0 HA CYS A 21 4.322 2.947 -2.291 1.00 43.34 H new ATOM 0 HB2 CYS A 21 7.205 2.273 -1.595 1.00 1.23 H new ATOM 0 HB3 CYS A 21 6.238 3.437 -0.714 1.00 1.23 H new ATOM 279 N ASN A 22 7.039 3.971 -3.877 1.00 52.35 N ATOM 280 CA ASN A 22 7.632 5.111 -4.567 1.00 63.14 C ATOM 281 C ASN A 22 8.663 4.649 -5.593 1.00 3.21 C ATOM 282 O ASN A 22 9.741 4.175 -5.235 1.00 51.53 O ATOM 283 CB ASN A 22 8.287 6.059 -3.560 1.00 61.34 C ATOM 284 CG ASN A 22 7.275 6.940 -2.854 1.00 4.12 C ATOM 285 OD1 ASN A 22 6.483 7.631 -3.494 1.00 41.22 O ATOM 286 ND2 ASN A 22 7.298 6.920 -1.526 1.00 63.42 N ATOM 0 H ASN A 22 7.593 3.116 -3.922 1.00 52.35 H new ATOM 0 HA ASN A 22 6.837 5.641 -5.091 1.00 63.14 H new ATOM 0 HB2 ASN A 22 8.836 5.476 -2.820 1.00 61.34 H new ATOM 0 HB3 ASN A 22 9.014 6.686 -4.075 1.00 61.34 H new ATOM 0 HD21 ASN A 22 6.641 7.493 -0.996 1.00 63.42 H new ATOM 0 HD22 ASN A 22 7.972 6.332 -1.036 1.00 63.42 H new ATOM 293 N GLY A 23 8.324 4.792 -6.871 1.00 22.33 N ATOM 294 CA GLY A 23 9.231 4.385 -7.929 1.00 13.45 C ATOM 295 C GLY A 23 8.503 4.017 -9.206 1.00 71.30 C ATOM 296 O GLY A 23 7.760 4.826 -9.762 1.00 63.14 O ATOM 0 H GLY A 23 7.438 5.182 -7.192 1.00 22.33 H new ATOM 0 HA2 GLY A 23 9.932 5.194 -8.134 1.00 13.45 H new ATOM 0 HA3 GLY A 23 9.819 3.532 -7.591 1.00 13.45 H new ATOM 300 N LYS A 24 8.717 2.792 -9.674 1.00 75.23 N ATOM 301 CA LYS A 24 8.076 2.316 -10.895 1.00 1.22 C ATOM 302 C LYS A 24 8.083 0.792 -10.954 1.00 54.14 C ATOM 303 O LYS A 24 9.082 0.152 -10.626 1.00 1.00 O ATOM 304 CB LYS A 24 8.786 2.888 -12.124 1.00 11.30 C ATOM 305 CG LYS A 24 10.111 2.213 -12.430 1.00 62.54 C ATOM 306 CD LYS A 24 10.792 2.841 -13.635 1.00 22.13 C ATOM 307 CE LYS A 24 12.035 3.619 -13.229 1.00 72.24 C ATOM 308 NZ LYS A 24 12.070 4.971 -13.852 1.00 1.11 N ATOM 0 H LYS A 24 9.330 2.110 -9.226 1.00 75.23 H new ATOM 0 HA LYS A 24 7.041 2.657 -10.889 1.00 1.22 H new ATOM 0 HB2 LYS A 24 8.130 2.792 -12.989 1.00 11.30 H new ATOM 0 HB3 LYS A 24 8.957 3.953 -11.971 1.00 11.30 H new ATOM 0 HG2 LYS A 24 10.766 2.285 -11.562 1.00 62.54 H new ATOM 0 HG3 LYS A 24 9.945 1.152 -12.617 1.00 62.54 H new ATOM 0 HD2 LYS A 24 11.065 2.062 -14.347 1.00 22.13 H new ATOM 0 HD3 LYS A 24 10.094 3.507 -14.143 1.00 22.13 H new ATOM 0 HE2 LYS A 24 12.063 3.718 -12.144 1.00 72.24 H new ATOM 0 HE3 LYS A 24 12.925 3.061 -13.521 1.00 72.24 H new ATOM 0 HZ1 LYS A 24 12.932 5.470 -13.551 1.00 1.11 H new ATOM 0 HZ2 LYS A 24 12.069 4.876 -14.888 1.00 1.11 H new ATOM 0 HZ3 LYS A 24 11.234 5.513 -13.553 1.00 1.11 H new ATOM 322 N CYS A 25 6.962 0.216 -11.377 1.00 1.14 N ATOM 323 CA CYS A 25 6.839 -1.233 -11.481 1.00 15.24 C ATOM 324 C CYS A 25 7.481 -1.743 -12.767 1.00 40.55 C ATOM 325 O CYS A 25 7.229 -1.214 -13.851 1.00 10.13 O ATOM 326 CB CYS A 25 5.366 -1.645 -11.435 1.00 53.41 C ATOM 327 SG CYS A 25 4.710 -1.877 -9.751 1.00 43.13 S ATOM 0 H CYS A 25 6.126 0.731 -11.653 1.00 1.14 H new ATOM 0 HA CYS A 25 7.361 -1.678 -10.634 1.00 15.24 H new ATOM 0 HB2 CYS A 25 4.772 -0.886 -11.943 1.00 53.41 H new ATOM 0 HB3 CYS A 25 5.242 -2.573 -11.993 1.00 53.41 H new ATOM 332 N ILE A 26 8.311 -2.772 -12.640 1.00 62.00 N ATOM 333 CA ILE A 26 8.988 -3.354 -13.792 1.00 44.22 C ATOM 334 C ILE A 26 8.233 -4.570 -14.317 1.00 62.04 C ATOM 335 O ILE A 26 8.542 -5.708 -13.962 1.00 2.32 O ATOM 336 CB ILE A 26 10.431 -3.769 -13.447 1.00 52.11 C ATOM 337 CG1 ILE A 26 11.225 -2.563 -12.941 1.00 54.31 C ATOM 338 CG2 ILE A 26 11.110 -4.385 -14.661 1.00 54.04 C ATOM 339 CD1 ILE A 26 11.348 -1.451 -13.959 1.00 4.30 C ATOM 0 H ILE A 26 8.531 -3.220 -11.751 1.00 62.00 H new ATOM 0 HA ILE A 26 9.015 -2.585 -14.564 1.00 44.22 H new ATOM 0 HB ILE A 26 10.398 -4.517 -12.655 1.00 52.11 H new ATOM 0 HG12 ILE A 26 10.744 -2.172 -12.044 1.00 54.31 H new ATOM 0 HG13 ILE A 26 12.223 -2.891 -12.651 1.00 54.31 H new ATOM 0 HG21 ILE A 26 12.129 -4.673 -14.401 1.00 54.04 H new ATOM 0 HG22 ILE A 26 10.554 -5.266 -14.981 1.00 54.04 H new ATOM 0 HG23 ILE A 26 11.134 -3.658 -15.472 1.00 54.04 H new ATOM 0 HD11 ILE A 26 11.923 -0.629 -13.532 1.00 4.30 H new ATOM 0 HD12 ILE A 26 11.856 -1.826 -14.848 1.00 4.30 H new ATOM 0 HD13 ILE A 26 10.354 -1.096 -14.232 1.00 4.30 H new ATOM 351 N CYS A 27 7.242 -4.323 -15.167 1.00 43.45 N ATOM 352 CA CYS A 27 6.443 -5.397 -15.744 1.00 54.51 C ATOM 353 C CYS A 27 7.123 -5.978 -16.980 1.00 22.11 C ATOM 354 O CYS A 27 7.337 -5.279 -17.970 1.00 41.23 O ATOM 355 CB CYS A 27 5.049 -4.883 -16.110 1.00 52.32 C ATOM 356 SG CYS A 27 4.047 -4.367 -14.679 1.00 10.51 S ATOM 0 H CYS A 27 6.973 -3.387 -15.472 1.00 43.45 H new ATOM 0 HA CYS A 27 6.348 -6.186 -14.998 1.00 54.51 H new ATOM 0 HB2 CYS A 27 5.152 -4.038 -16.791 1.00 52.32 H new ATOM 0 HB3 CYS A 27 4.516 -5.665 -16.650 1.00 52.32 H new ATOM 361 N ARG A 28 7.460 -7.262 -16.914 1.00 4.12 N ATOM 362 CA ARG A 28 8.117 -7.937 -18.026 1.00 63.53 C ATOM 363 C ARG A 28 7.632 -9.379 -18.150 1.00 2.11 C ATOM 364 O ARG A 28 7.209 -9.990 -17.168 1.00 10.01 O ATOM 365 CB ARG A 28 9.636 -7.913 -17.841 1.00 34.33 C ATOM 366 CG ARG A 28 10.114 -8.699 -16.631 1.00 11.04 C ATOM 367 CD ARG A 28 11.440 -8.168 -16.110 1.00 1.50 C ATOM 368 NE ARG A 28 12.497 -9.174 -16.176 1.00 13.40 N ATOM 369 CZ ARG A 28 13.150 -9.481 -17.291 1.00 4.22 C ATOM 370 NH1 ARG A 28 12.858 -8.863 -18.427 1.00 15.34 N ATOM 371 NH2 ARG A 28 14.100 -10.408 -17.271 1.00 14.32 N ATOM 0 H ARG A 28 7.289 -7.855 -16.102 1.00 4.12 H new ATOM 0 HA ARG A 28 7.861 -7.405 -18.942 1.00 63.53 H new ATOM 0 HB2 ARG A 28 10.109 -8.317 -18.736 1.00 34.33 H new ATOM 0 HB3 ARG A 28 9.966 -6.878 -17.745 1.00 34.33 H new ATOM 0 HG2 ARG A 28 9.364 -8.646 -15.842 1.00 11.04 H new ATOM 0 HG3 ARG A 28 10.221 -9.750 -16.898 1.00 11.04 H new ATOM 0 HD2 ARG A 28 11.734 -7.294 -16.692 1.00 1.50 H new ATOM 0 HD3 ARG A 28 11.318 -7.838 -15.078 1.00 1.50 H new ATOM 0 HE ARG A 28 12.747 -9.668 -15.319 1.00 13.40 H new ATOM 0 HH11 ARG A 28 12.130 -8.149 -18.447 1.00 15.34 H new ATOM 0 HH12 ARG A 28 13.362 -9.101 -19.281 1.00 15.34 H new ATOM 0 HH21 ARG A 28 14.329 -10.885 -16.399 1.00 14.32 H new ATOM 0 HH22 ARG A 28 14.601 -10.643 -18.128 1.00 14.32 H new ATOM 385 N THR A 29 7.696 -9.917 -19.364 1.00 31.53 N ATOM 386 CA THR A 29 7.262 -11.286 -19.617 1.00 0.44 C ATOM 387 C THR A 29 8.426 -12.263 -19.495 1.00 14.11 C ATOM 388 O THR A 29 9.270 -12.352 -20.386 1.00 63.20 O ATOM 389 CB THR A 29 6.633 -11.426 -21.016 1.00 12.14 C ATOM 390 OG1 THR A 29 6.023 -10.190 -21.405 1.00 23.02 O ATOM 391 CG2 THR A 29 5.594 -12.537 -21.033 1.00 30.12 C ATOM 0 H THR A 29 8.044 -9.426 -20.187 1.00 31.53 H new ATOM 0 HA THR A 29 6.511 -11.524 -18.864 1.00 0.44 H new ATOM 0 HB THR A 29 7.424 -11.678 -21.722 1.00 12.14 H new ATOM 0 HG1 THR A 29 5.627 -10.287 -22.296 1.00 23.02 H new ATOM 0 HG21 THR A 29 5.163 -12.617 -22.031 1.00 30.12 H new ATOM 0 HG22 THR A 29 6.067 -13.482 -20.765 1.00 30.12 H new ATOM 0 HG23 THR A 29 4.806 -12.309 -20.315 1.00 30.12 H new ATOM 399 N VAL A 30 8.464 -12.995 -18.386 1.00 72.32 N ATOM 400 CA VAL A 30 9.523 -13.968 -18.149 1.00 25.22 C ATOM 401 C VAL A 30 9.044 -15.385 -18.441 1.00 32.51 C ATOM 402 O VAL A 30 8.237 -15.958 -17.708 1.00 23.03 O ATOM 403 CB VAL A 30 10.034 -13.900 -16.697 1.00 55.51 C ATOM 404 CG1 VAL A 30 10.679 -15.217 -16.295 1.00 14.12 C ATOM 405 CG2 VAL A 30 11.010 -12.745 -16.530 1.00 61.20 C ATOM 0 H VAL A 30 7.774 -12.932 -17.638 1.00 72.32 H new ATOM 0 HA VAL A 30 10.339 -13.717 -18.826 1.00 25.22 H new ATOM 0 HB VAL A 30 9.183 -13.725 -16.038 1.00 55.51 H new ATOM 0 HG11 VAL A 30 11.034 -15.149 -15.267 1.00 14.12 H new ATOM 0 HG12 VAL A 30 9.946 -16.020 -16.374 1.00 14.12 H new ATOM 0 HG13 VAL A 30 11.520 -15.427 -16.956 1.00 14.12 H new ATOM 0 HG21 VAL A 30 11.361 -12.712 -15.499 1.00 61.20 H new ATOM 0 HG22 VAL A 30 11.859 -12.887 -17.198 1.00 61.20 H new ATOM 0 HG23 VAL A 30 10.510 -11.808 -16.774 1.00 61.20 H new ATOM 415 N PRO A 31 9.551 -15.967 -19.538 1.00 32.41 N ATOM 416 CA PRO A 31 9.189 -17.326 -19.952 1.00 61.31 C ATOM 417 C PRO A 31 9.264 -18.323 -18.800 1.00 54.33 C ATOM 418 O PRO A 31 8.405 -19.195 -18.665 1.00 44.12 O ATOM 419 CB PRO A 31 10.235 -17.662 -21.018 1.00 72.23 C ATOM 420 CG PRO A 31 10.655 -16.342 -21.566 1.00 71.11 C ATOM 421 CD PRO A 31 10.517 -15.344 -20.458 1.00 52.10 C ATOM 0 HA PRO A 31 8.161 -17.383 -20.310 1.00 61.31 H new ATOM 0 HB2 PRO A 31 11.080 -18.199 -20.588 1.00 72.23 H new ATOM 0 HB3 PRO A 31 9.816 -18.299 -21.797 1.00 72.23 H new ATOM 0 HG2 PRO A 31 11.684 -16.382 -21.923 1.00 71.11 H new ATOM 0 HG3 PRO A 31 10.034 -16.062 -22.417 1.00 71.11 H new ATOM 0 HD2 PRO A 31 11.472 -15.157 -19.968 1.00 52.10 H new ATOM 0 HD3 PRO A 31 10.155 -14.384 -20.827 1.00 52.10 H new ATOM 429 N ARG A 32 10.294 -18.187 -17.972 1.00 43.13 N ATOM 430 CA ARG A 32 10.481 -19.076 -16.832 1.00 74.21 C ATOM 431 C ARG A 32 9.393 -18.853 -15.785 1.00 71.54 C ATOM 432 O ARG A 32 9.604 -18.156 -14.793 1.00 23.21 O ATOM 433 CB ARG A 32 11.859 -18.855 -16.206 1.00 32.41 C ATOM 434 CG ARG A 32 12.958 -19.691 -16.842 1.00 52.42 C ATOM 435 CD ARG A 32 14.142 -19.861 -15.904 1.00 3.41 C ATOM 436 NE ARG A 32 15.184 -20.703 -16.485 1.00 4.20 N ATOM 437 CZ ARG A 32 16.298 -21.041 -15.845 1.00 3.51 C ATOM 438 NH1 ARG A 32 16.513 -20.610 -14.609 1.00 64.24 N ATOM 439 NH2 ARG A 32 17.200 -21.811 -16.441 1.00 13.24 N ATOM 0 H ARG A 32 11.012 -17.469 -18.069 1.00 43.13 H new ATOM 0 HA ARG A 32 10.413 -20.103 -17.189 1.00 74.21 H new ATOM 0 HB2 ARG A 32 12.122 -17.800 -16.290 1.00 32.41 H new ATOM 0 HB3 ARG A 32 11.807 -19.087 -15.142 1.00 32.41 H new ATOM 0 HG2 ARG A 32 12.562 -20.670 -17.111 1.00 52.42 H new ATOM 0 HG3 ARG A 32 13.289 -19.216 -17.766 1.00 52.42 H new ATOM 0 HD2 ARG A 32 14.558 -18.882 -15.665 1.00 3.41 H new ATOM 0 HD3 ARG A 32 13.802 -20.301 -14.966 1.00 3.41 H new ATOM 0 HE ARG A 32 15.049 -21.051 -17.434 1.00 4.20 H new ATOM 0 HH11 ARG A 32 15.822 -20.018 -14.148 1.00 64.24 H new ATOM 0 HH12 ARG A 32 17.369 -20.871 -14.120 1.00 64.24 H new ATOM 0 HH21 ARG A 32 17.038 -22.144 -17.391 1.00 13.24 H new ATOM 0 HH22 ARG A 32 18.055 -22.070 -15.949 1.00 13.24 H new ATOM 453 N LYS A 33 8.228 -19.450 -16.014 1.00 71.12 N ATOM 454 CA LYS A 33 7.106 -19.319 -15.092 1.00 3.41 C ATOM 455 C LYS A 33 6.932 -17.869 -14.650 1.00 63.11 C ATOM 456 O LYS A 33 6.857 -17.578 -13.457 1.00 62.40 O ATOM 457 CB LYS A 33 7.317 -20.214 -13.869 1.00 3.12 C ATOM 458 CG LYS A 33 6.049 -20.462 -13.070 1.00 43.53 C ATOM 459 CD LYS A 33 6.354 -20.708 -11.602 1.00 50.12 C ATOM 460 CE LYS A 33 5.527 -21.857 -11.047 1.00 23.54 C ATOM 461 NZ LYS A 33 5.969 -22.248 -9.679 1.00 53.11 N ATOM 0 H LYS A 33 8.036 -20.030 -16.831 1.00 71.12 H new ATOM 0 HA LYS A 33 6.201 -19.633 -15.613 1.00 3.41 H new ATOM 0 HB2 LYS A 33 7.724 -21.171 -14.196 1.00 3.12 H new ATOM 0 HB3 LYS A 33 8.062 -19.756 -13.219 1.00 3.12 H new ATOM 0 HG2 LYS A 33 5.384 -19.604 -13.165 1.00 43.53 H new ATOM 0 HG3 LYS A 33 5.521 -21.322 -13.482 1.00 43.53 H new ATOM 0 HD2 LYS A 33 7.414 -20.930 -11.482 1.00 50.12 H new ATOM 0 HD3 LYS A 33 6.151 -19.803 -11.030 1.00 50.12 H new ATOM 0 HE2 LYS A 33 4.476 -21.569 -11.021 1.00 23.54 H new ATOM 0 HE3 LYS A 33 5.605 -22.716 -11.713 1.00 23.54 H new ATOM 0 HZ1 LYS A 33 5.381 -23.034 -9.336 1.00 53.11 H new ATOM 0 HZ2 LYS A 33 6.965 -22.547 -9.708 1.00 53.11 H new ATOM 0 HZ3 LYS A 33 5.870 -21.436 -9.037 1.00 53.11 H new ATOM 475 N GLY A 34 6.867 -16.963 -15.621 1.00 4.32 N ATOM 476 CA GLY A 34 6.701 -15.555 -15.311 1.00 42.32 C ATOM 477 C GLY A 34 5.749 -14.860 -16.264 1.00 34.01 C ATOM 478 O GLY A 34 6.177 -14.156 -17.179 1.00 21.42 O ATOM 0 H GLY A 34 6.926 -17.179 -16.616 1.00 4.32 H new ATOM 0 HA2 GLY A 34 6.329 -15.452 -14.292 1.00 42.32 H new ATOM 0 HA3 GLY A 34 7.672 -15.061 -15.348 1.00 42.32 H new ATOM 482 N VAL A 35 4.452 -15.058 -16.051 1.00 34.51 N ATOM 483 CA VAL A 35 3.435 -14.446 -16.898 1.00 63.33 C ATOM 484 C VAL A 35 3.248 -12.973 -16.555 1.00 12.15 C ATOM 485 O VAL A 35 2.323 -12.607 -15.830 1.00 41.14 O ATOM 486 CB VAL A 35 2.082 -15.170 -16.764 1.00 2.32 C ATOM 487 CG1 VAL A 35 1.054 -14.557 -17.702 1.00 75.42 C ATOM 488 CG2 VAL A 35 2.245 -16.658 -17.035 1.00 53.43 C ATOM 0 H VAL A 35 4.081 -15.638 -15.299 1.00 34.51 H new ATOM 0 HA VAL A 35 3.785 -14.535 -17.927 1.00 63.33 H new ATOM 0 HB VAL A 35 1.723 -15.048 -15.742 1.00 2.32 H new ATOM 0 HG11 VAL A 35 0.104 -15.081 -17.594 1.00 75.42 H new ATOM 0 HG12 VAL A 35 0.918 -13.504 -17.455 1.00 75.42 H new ATOM 0 HG13 VAL A 35 1.402 -14.646 -18.731 1.00 75.42 H new ATOM 0 HG21 VAL A 35 1.279 -17.154 -16.936 1.00 53.43 H new ATOM 0 HG22 VAL A 35 2.626 -16.804 -18.046 1.00 53.43 H new ATOM 0 HG23 VAL A 35 2.947 -17.084 -16.318 1.00 53.43 H new ATOM 498 N ASN A 36 4.132 -12.131 -17.080 1.00 21.22 N ATOM 499 CA ASN A 36 4.064 -10.696 -16.828 1.00 63.24 C ATOM 500 C ASN A 36 4.436 -10.379 -15.383 1.00 52.11 C ATOM 501 O ASN A 36 3.615 -9.876 -14.616 1.00 74.13 O ATOM 502 CB ASN A 36 2.660 -10.170 -17.133 1.00 44.23 C ATOM 503 CG ASN A 36 2.054 -10.819 -18.362 1.00 53.12 C ATOM 504 OD1 ASN A 36 2.767 -11.218 -19.283 1.00 53.01 O ATOM 505 ND2 ASN A 36 0.730 -10.927 -18.382 1.00 23.25 N ATOM 0 H ASN A 36 4.904 -12.417 -17.682 1.00 21.22 H new ATOM 0 HA ASN A 36 4.780 -10.202 -17.485 1.00 63.24 H new ATOM 0 HB2 ASN A 36 2.013 -10.350 -16.274 1.00 44.23 H new ATOM 0 HB3 ASN A 36 2.703 -9.091 -17.279 1.00 44.23 H new ATOM 0 HD21 ASN A 36 0.265 -11.355 -19.183 1.00 23.25 H new ATOM 0 HD22 ASN A 36 0.178 -10.582 -17.596 1.00 23.25 H new ATOM 512 N SER A 37 5.679 -10.676 -15.019 1.00 1.14 N ATOM 513 CA SER A 37 6.159 -10.425 -13.665 1.00 21.44 C ATOM 514 C SER A 37 6.497 -8.950 -13.472 1.00 64.23 C ATOM 515 O SER A 37 7.383 -8.412 -14.137 1.00 63.43 O ATOM 516 CB SER A 37 7.390 -11.285 -13.370 1.00 32.20 C ATOM 517 OG SER A 37 7.748 -11.211 -12.001 1.00 2.40 O ATOM 0 H SER A 37 6.372 -11.091 -15.642 1.00 1.14 H new ATOM 0 HA SER A 37 5.363 -10.691 -12.969 1.00 21.44 H new ATOM 0 HB2 SER A 37 7.187 -12.321 -13.640 1.00 32.20 H new ATOM 0 HB3 SER A 37 8.226 -10.953 -13.986 1.00 32.20 H new ATOM 0 HG SER A 37 8.536 -11.770 -11.838 1.00 2.40 H new ATOM 523 N CYS A 38 5.785 -8.301 -12.558 1.00 2.24 N ATOM 524 CA CYS A 38 6.007 -6.888 -12.276 1.00 45.21 C ATOM 525 C CYS A 38 6.769 -6.707 -10.966 1.00 33.31 C ATOM 526 O CYS A 38 6.195 -6.819 -9.882 1.00 40.14 O ATOM 527 CB CYS A 38 4.673 -6.143 -12.210 1.00 35.32 C ATOM 528 SG CYS A 38 3.763 -6.105 -13.788 1.00 22.12 S ATOM 0 H CYS A 38 5.048 -8.731 -11.999 1.00 2.24 H new ATOM 0 HA CYS A 38 6.607 -6.473 -13.085 1.00 45.21 H new ATOM 0 HB2 CYS A 38 4.045 -6.611 -11.452 1.00 35.32 H new ATOM 0 HB3 CYS A 38 4.857 -5.119 -11.884 1.00 35.32 H new ATOM 533 N ARG A 39 8.063 -6.428 -11.074 1.00 45.30 N ATOM 534 CA ARG A 39 8.904 -6.233 -9.899 1.00 13.44 C ATOM 535 C ARG A 39 9.177 -4.750 -9.665 1.00 55.44 C ATOM 536 O ARG A 39 9.584 -4.031 -10.579 1.00 24.24 O ATOM 537 CB ARG A 39 10.225 -6.986 -10.059 1.00 62.24 C ATOM 538 CG ARG A 39 10.053 -8.430 -10.502 1.00 21.13 C ATOM 539 CD ARG A 39 10.621 -9.398 -9.476 1.00 34.44 C ATOM 540 NE ARG A 39 11.993 -9.062 -9.106 1.00 61.54 N ATOM 541 CZ ARG A 39 12.796 -9.883 -8.438 1.00 42.03 C ATOM 542 NH1 ARG A 39 12.366 -11.081 -8.069 1.00 22.44 N ATOM 543 NH2 ARG A 39 14.033 -9.505 -8.139 1.00 74.32 N ATOM 0 H ARG A 39 8.553 -6.332 -11.964 1.00 45.30 H new ATOM 0 HA ARG A 39 8.371 -6.628 -9.034 1.00 13.44 H new ATOM 0 HB2 ARG A 39 10.846 -6.463 -10.787 1.00 62.24 H new ATOM 0 HB3 ARG A 39 10.761 -6.967 -9.110 1.00 62.24 H new ATOM 0 HG2 ARG A 39 8.995 -8.641 -10.656 1.00 21.13 H new ATOM 0 HG3 ARG A 39 10.551 -8.580 -11.460 1.00 21.13 H new ATOM 0 HD2 ARG A 39 9.993 -9.391 -8.585 1.00 34.44 H new ATOM 0 HD3 ARG A 39 10.592 -10.411 -9.878 1.00 34.44 H new ATOM 0 HE ARG A 39 12.355 -8.147 -9.375 1.00 61.54 H new ATOM 0 HH11 ARG A 39 11.416 -11.375 -8.298 1.00 22.44 H new ATOM 0 HH12 ARG A 39 12.985 -11.709 -7.556 1.00 22.44 H new ATOM 0 HH21 ARG A 39 14.367 -8.584 -8.422 1.00 74.32 H new ATOM 0 HH22 ARG A 39 14.649 -10.136 -7.626 1.00 74.32 H new ATOM 557 N CYS A 40 8.948 -4.297 -8.437 1.00 61.30 N ATOM 558 CA CYS A 40 9.168 -2.900 -8.083 1.00 32.32 C ATOM 559 C CYS A 40 10.627 -2.508 -8.296 1.00 50.01 C ATOM 560 O CYS A 40 11.539 -3.249 -7.930 1.00 42.51 O ATOM 561 CB CYS A 40 8.769 -2.653 -6.626 1.00 45.04 C ATOM 562 SG CYS A 40 7.029 -2.164 -6.404 1.00 53.04 S ATOM 0 H CYS A 40 8.610 -4.878 -7.670 1.00 61.30 H new ATOM 0 HA CYS A 40 8.546 -2.284 -8.733 1.00 32.32 H new ATOM 0 HB2 CYS A 40 8.957 -3.559 -6.051 1.00 45.04 H new ATOM 0 HB3 CYS A 40 9.410 -1.874 -6.212 1.00 45.04 H new ATOM 567 N MET A 41 10.839 -1.338 -8.891 1.00 34.34 N ATOM 568 CA MET A 41 12.187 -0.847 -9.151 1.00 54.13 C ATOM 569 C MET A 41 12.175 0.654 -9.425 1.00 73.45 C ATOM 570 O MET A 41 11.129 1.300 -9.353 1.00 11.23 O ATOM 571 CB MET A 41 12.802 -1.589 -10.339 1.00 23.21 C ATOM 572 CG MET A 41 14.277 -1.911 -10.156 1.00 74.21 C ATOM 573 SD MET A 41 14.672 -3.619 -10.578 1.00 21.10 S ATOM 574 CE MET A 41 16.415 -3.674 -10.170 1.00 43.43 C ATOM 0 H MET A 41 10.095 -0.713 -9.202 1.00 34.34 H new ATOM 0 HA MET A 41 12.792 -1.032 -8.263 1.00 54.13 H new ATOM 0 HB2 MET A 41 12.253 -2.517 -10.501 1.00 23.21 H new ATOM 0 HB3 MET A 41 12.679 -0.985 -11.238 1.00 23.21 H new ATOM 0 HG2 MET A 41 14.871 -1.241 -10.777 1.00 74.21 H new ATOM 0 HG3 MET A 41 14.561 -1.722 -9.121 1.00 74.21 H new ATOM 0 HE1 MET A 41 16.806 -4.670 -10.377 1.00 43.43 H new ATOM 0 HE2 MET A 41 16.953 -2.941 -10.771 1.00 43.43 H new ATOM 0 HE3 MET A 41 16.549 -3.444 -9.113 1.00 43.43 H new TER 584 MET A 41