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+ -146:sc= 0.544 (180deg=0.103) USER MOD Single : A 3 SER OG : rot 92:sc= 1.23 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.46 K(o=-0.46,f=-5.4!) USER MOD Single : A 10 ASN : amide:sc= -0.28 K(o=-0.28,f=-12!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -27:sc= 1.1 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.628 K(o=-0.63,f=-1.6) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.528 K(o=-0.53,f=-1.1) USER MOD Single : A 37 SER OG : rot 37:sc= 0.237 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.289 -1.364 0.430 1.00 51.44 N ATOM 2 CA CYS A 1 2.005 -1.257 -0.836 1.00 14.20 C ATOM 3 C CYS A 1 3.204 -2.200 -0.864 1.00 2.43 C ATOM 4 O CYS A 1 3.716 -2.600 0.181 1.00 21.22 O ATOM 5 CB CYS A 1 2.468 0.183 -1.064 1.00 4.33 C ATOM 6 SG CYS A 1 3.285 0.938 0.379 1.00 45.20 S ATOM 0 H1 CYS A 1 0.272 -1.224 0.266 1.00 51.44 H new ATOM 0 H2 CYS A 1 1.447 -2.307 0.840 1.00 51.44 H new ATOM 0 H3 CYS A 1 1.637 -0.638 1.088 1.00 51.44 H new ATOM 0 HA CYS A 1 1.322 -1.542 -1.636 1.00 14.20 H new ATOM 0 HB2 CYS A 1 3.156 0.203 -1.909 1.00 4.33 H new ATOM 0 HB3 CYS A 1 1.606 0.791 -1.340 1.00 4.33 H new ATOM 11 N ALA A 2 3.647 -2.549 -2.067 1.00 22.30 N ATOM 12 CA ALA A 2 4.787 -3.442 -2.231 1.00 63.44 C ATOM 13 C ALA A 2 6.093 -2.736 -1.883 1.00 11.04 C ATOM 14 O ALA A 2 6.221 -1.524 -2.059 1.00 74.53 O ATOM 15 CB ALA A 2 4.838 -3.977 -3.655 1.00 41.21 C ATOM 0 H ALA A 2 3.234 -2.227 -2.942 1.00 22.30 H new ATOM 0 HA ALA A 2 4.662 -4.279 -1.544 1.00 63.44 H new ATOM 0 HB1 ALA A 2 5.694 -4.643 -3.763 1.00 41.21 H new ATOM 0 HB2 ALA A 2 3.922 -4.527 -3.870 1.00 41.21 H new ATOM 0 HB3 ALA A 2 4.934 -3.145 -4.353 1.00 41.21 H new ATOM 21 N SER A 3 7.060 -3.501 -1.386 1.00 11.21 N ATOM 22 CA SER A 3 8.355 -2.947 -1.008 1.00 13.31 C ATOM 23 C SER A 3 9.279 -2.851 -2.218 1.00 52.01 C ATOM 24 O SER A 3 8.916 -3.249 -3.325 1.00 35.40 O ATOM 25 CB SER A 3 9.004 -3.808 0.077 1.00 3.53 C ATOM 26 OG SER A 3 8.105 -4.045 1.147 1.00 41.55 O ATOM 0 H SER A 3 6.971 -4.506 -1.236 1.00 11.21 H new ATOM 0 HA SER A 3 8.193 -1.943 -0.616 1.00 13.31 H new ATOM 0 HB2 SER A 3 9.323 -4.758 -0.351 1.00 3.53 H new ATOM 0 HB3 SER A 3 9.899 -3.311 0.453 1.00 3.53 H new ATOM 0 HG SER A 3 7.620 -4.882 0.988 1.00 41.55 H new ATOM 32 N LYS A 4 10.477 -2.319 -1.999 1.00 74.31 N ATOM 33 CA LYS A 4 11.456 -2.171 -3.069 1.00 53.14 C ATOM 34 C LYS A 4 11.818 -3.527 -3.667 1.00 4.32 C ATOM 35 O LYS A 4 12.173 -4.458 -2.946 1.00 33.24 O ATOM 36 CB LYS A 4 12.716 -1.480 -2.544 1.00 12.23 C ATOM 37 CG LYS A 4 13.662 -1.024 -3.641 1.00 2.03 C ATOM 38 CD LYS A 4 14.902 -0.359 -3.067 1.00 23.41 C ATOM 39 CE LYS A 4 16.139 -1.222 -3.266 1.00 4.42 C ATOM 40 NZ LYS A 4 16.708 -1.068 -4.633 1.00 63.14 N ATOM 0 H LYS A 4 10.793 -1.983 -1.089 1.00 74.31 H new ATOM 0 HA LYS A 4 11.011 -1.556 -3.851 1.00 53.14 H new ATOM 0 HB2 LYS A 4 12.424 -0.617 -1.946 1.00 12.23 H new ATOM 0 HB3 LYS A 4 13.245 -2.164 -1.880 1.00 12.23 H new ATOM 0 HG2 LYS A 4 13.955 -1.880 -4.249 1.00 2.03 H new ATOM 0 HG3 LYS A 4 13.146 -0.326 -4.301 1.00 2.03 H new ATOM 0 HD2 LYS A 4 15.052 0.609 -3.545 1.00 23.41 H new ATOM 0 HD3 LYS A 4 14.756 -0.170 -2.003 1.00 23.41 H new ATOM 0 HE2 LYS A 4 16.893 -0.952 -2.526 1.00 4.42 H new ATOM 0 HE3 LYS A 4 15.884 -2.268 -3.094 1.00 4.42 H new ATOM 0 HZ1 LYS A 4 17.549 -1.672 -4.729 1.00 63.14 H new ATOM 0 HZ2 LYS A 4 15.998 -1.349 -5.338 1.00 63.14 H new ATOM 0 HZ3 LYS A 4 16.975 -0.075 -4.788 1.00 63.14 H new ATOM 54 N ASN A 5 11.729 -3.629 -4.989 1.00 15.11 N ATOM 55 CA ASN A 5 12.048 -4.871 -5.683 1.00 24.10 C ATOM 56 C ASN A 5 11.054 -5.970 -5.318 1.00 43.53 C ATOM 57 O ASN A 5 11.329 -7.155 -5.503 1.00 41.42 O ATOM 58 CB ASN A 5 13.470 -5.320 -5.340 1.00 2.04 C ATOM 59 CG ASN A 5 14.125 -6.085 -6.474 1.00 13.03 C ATOM 60 OD1 ASN A 5 13.534 -6.263 -7.539 1.00 45.43 O ATOM 61 ND2 ASN A 5 15.351 -6.542 -6.248 1.00 70.24 N ATOM 0 H ASN A 5 11.439 -2.866 -5.601 1.00 15.11 H new ATOM 0 HA ASN A 5 11.980 -4.686 -6.755 1.00 24.10 H new ATOM 0 HB2 ASN A 5 14.075 -4.446 -5.098 1.00 2.04 H new ATOM 0 HB3 ASN A 5 13.445 -5.948 -4.449 1.00 2.04 H new ATOM 0 HD21 ASN A 5 15.842 -7.065 -6.973 1.00 70.24 H new ATOM 0 HD22 ASN A 5 15.802 -6.370 -5.349 1.00 70.24 H new ATOM 68 N GLU A 6 9.898 -5.566 -4.800 1.00 45.01 N ATOM 69 CA GLU A 6 8.864 -6.516 -4.410 1.00 31.45 C ATOM 70 C GLU A 6 7.869 -6.734 -5.545 1.00 75.45 C ATOM 71 O GLU A 6 7.851 -5.985 -6.522 1.00 13.43 O ATOM 72 CB GLU A 6 8.130 -6.021 -3.162 1.00 30.24 C ATOM 73 CG GLU A 6 7.619 -7.141 -2.272 1.00 35.45 C ATOM 74 CD GLU A 6 7.875 -6.881 -0.800 1.00 0.40 C ATOM 75 OE1 GLU A 6 7.101 -6.115 -0.189 1.00 10.22 O ATOM 76 OE2 GLU A 6 8.850 -7.443 -0.260 1.00 24.24 O ATOM 0 H GLU A 6 9.655 -4.588 -4.641 1.00 45.01 H new ATOM 0 HA GLU A 6 9.347 -7.467 -4.186 1.00 31.45 H new ATOM 0 HB2 GLU A 6 8.802 -5.386 -2.584 1.00 30.24 H new ATOM 0 HB3 GLU A 6 7.289 -5.399 -3.468 1.00 30.24 H new ATOM 0 HG2 GLU A 6 6.549 -7.268 -2.434 1.00 35.45 H new ATOM 0 HG3 GLU A 6 8.098 -8.076 -2.560 1.00 35.45 H new ATOM 83 N ARG A 7 7.042 -7.766 -5.410 1.00 61.43 N ATOM 84 CA ARG A 7 6.045 -8.085 -6.425 1.00 41.12 C ATOM 85 C ARG A 7 4.877 -7.105 -6.366 1.00 42.44 C ATOM 86 O ARG A 7 4.202 -6.988 -5.343 1.00 52.54 O ATOM 87 CB ARG A 7 5.535 -9.515 -6.238 1.00 54.21 C ATOM 88 CG ARG A 7 4.880 -9.756 -4.888 1.00 21.02 C ATOM 89 CD ARG A 7 4.857 -11.235 -4.536 1.00 61.31 C ATOM 90 NE ARG A 7 6.184 -11.735 -4.185 1.00 72.13 N ATOM 91 CZ ARG A 7 6.796 -11.453 -3.041 1.00 5.11 C ATOM 92 NH1 ARG A 7 6.205 -10.679 -2.142 1.00 13.04 N ATOM 93 NH2 ARG A 7 8.004 -11.946 -2.794 1.00 54.41 N ATOM 0 H ARG A 7 7.043 -8.395 -4.607 1.00 61.43 H new ATOM 0 HA ARG A 7 6.519 -8.001 -7.403 1.00 41.12 H new ATOM 0 HB2 ARG A 7 4.817 -9.742 -7.026 1.00 54.21 H new ATOM 0 HB3 ARG A 7 6.368 -10.207 -6.357 1.00 54.21 H new ATOM 0 HG2 ARG A 7 5.420 -9.206 -4.117 1.00 21.02 H new ATOM 0 HG3 ARG A 7 3.861 -9.368 -4.902 1.00 21.02 H new ATOM 0 HD2 ARG A 7 4.176 -11.398 -3.701 1.00 61.31 H new ATOM 0 HD3 ARG A 7 4.468 -11.803 -5.381 1.00 61.31 H new ATOM 0 HE ARG A 7 6.667 -12.333 -4.855 1.00 72.13 H new ATOM 0 HH11 ARG A 7 5.277 -10.298 -2.328 1.00 13.04 H new ATOM 0 HH12 ARG A 7 6.678 -10.464 -1.264 1.00 13.04 H new ATOM 0 HH21 ARG A 7 8.462 -12.542 -3.483 1.00 54.41 H new ATOM 0 HH22 ARG A 7 8.473 -11.729 -1.915 1.00 54.41 H new ATOM 107 N CYS A 8 4.645 -6.402 -7.470 1.00 42.10 N ATOM 108 CA CYS A 8 3.560 -5.431 -7.545 1.00 3.10 C ATOM 109 C CYS A 8 2.542 -5.834 -8.608 1.00 31.15 C ATOM 110 O CYS A 8 2.611 -6.928 -9.165 1.00 61.43 O ATOM 111 CB CYS A 8 4.114 -4.039 -7.856 1.00 22.01 C ATOM 112 SG CYS A 8 4.793 -3.868 -9.538 1.00 2.44 S ATOM 0 H CYS A 8 5.194 -6.487 -8.325 1.00 42.10 H new ATOM 0 HA CYS A 8 3.059 -5.408 -6.577 1.00 3.10 H new ATOM 0 HB2 CYS A 8 3.320 -3.305 -7.720 1.00 22.01 H new ATOM 0 HB3 CYS A 8 4.895 -3.801 -7.134 1.00 22.01 H new ATOM 117 N GLY A 9 1.596 -4.941 -8.882 1.00 42.34 N ATOM 118 CA GLY A 9 0.577 -5.221 -9.877 1.00 21.22 C ATOM 119 C GLY A 9 0.513 -4.160 -10.957 1.00 44.20 C ATOM 120 O GLY A 9 1.137 -3.106 -10.838 1.00 54.22 O ATOM 0 H GLY A 9 1.517 -4.029 -8.433 1.00 42.34 H new ATOM 0 HA2 GLY A 9 0.778 -6.189 -10.335 1.00 21.22 H new ATOM 0 HA3 GLY A 9 -0.394 -5.295 -9.387 1.00 21.22 H new ATOM 124 N ASN A 10 -0.241 -4.439 -12.015 1.00 51.00 N ATOM 125 CA ASN A 10 -0.382 -3.500 -13.122 1.00 60.44 C ATOM 126 C ASN A 10 -1.578 -3.865 -13.996 1.00 33.40 C ATOM 127 O ASN A 10 -1.562 -4.876 -14.698 1.00 21.12 O ATOM 128 CB ASN A 10 0.894 -3.481 -13.967 1.00 54.11 C ATOM 129 CG ASN A 10 0.930 -2.312 -14.933 1.00 33.13 C ATOM 130 OD1 ASN A 10 -0.103 -1.893 -15.457 1.00 24.25 O ATOM 131 ND2 ASN A 10 2.122 -1.780 -15.173 1.00 4.12 N ATOM 0 H ASN A 10 -0.764 -5.307 -12.129 1.00 51.00 H new ATOM 0 HA ASN A 10 -0.549 -2.507 -12.705 1.00 60.44 H new ATOM 0 HB2 ASN A 10 1.762 -3.432 -13.309 1.00 54.11 H new ATOM 0 HB3 ASN A 10 0.970 -4.414 -14.526 1.00 54.11 H new ATOM 0 HD21 ASN A 10 2.209 -0.991 -15.814 1.00 4.12 H new ATOM 0 HD22 ASN A 10 2.951 -2.160 -14.716 1.00 4.12 H new ATOM 138 N ALA A 11 -2.615 -3.035 -13.948 1.00 3.15 N ATOM 139 CA ALA A 11 -3.818 -3.268 -14.736 1.00 72.30 C ATOM 140 C ALA A 11 -3.496 -3.329 -16.225 1.00 43.52 C ATOM 141 O ALA A 11 -4.165 -4.027 -16.988 1.00 42.21 O ATOM 142 CB ALA A 11 -4.848 -2.183 -14.461 1.00 34.04 C ATOM 0 H ALA A 11 -2.645 -2.195 -13.371 1.00 3.15 H new ATOM 0 HA ALA A 11 -4.234 -4.231 -14.441 1.00 72.30 H new ATOM 0 HB1 ALA A 11 -5.741 -2.370 -15.057 1.00 34.04 H new ATOM 0 HB2 ALA A 11 -5.109 -2.189 -13.403 1.00 34.04 H new ATOM 0 HB3 ALA A 11 -4.432 -1.211 -14.726 1.00 34.04 H new ATOM 148 N LEU A 12 -2.468 -2.592 -16.633 1.00 61.53 N ATOM 149 CA LEU A 12 -2.057 -2.562 -18.033 1.00 2.43 C ATOM 150 C LEU A 12 -1.650 -3.952 -18.512 1.00 14.44 C ATOM 151 O LEU A 12 -1.718 -4.253 -19.703 1.00 71.15 O ATOM 152 CB LEU A 12 -0.895 -1.585 -18.222 1.00 10.31 C ATOM 153 CG LEU A 12 -0.774 -0.945 -19.606 1.00 34.24 C ATOM 154 CD1 LEU A 12 -0.923 0.565 -19.511 1.00 13.25 C ATOM 155 CD2 LEU A 12 0.555 -1.312 -20.249 1.00 20.42 C ATOM 0 H LEU A 12 -1.904 -2.008 -16.015 1.00 61.53 H new ATOM 0 HA LEU A 12 -2.907 -2.228 -18.628 1.00 2.43 H new ATOM 0 HB2 LEU A 12 -0.992 -0.789 -17.483 1.00 10.31 H new ATOM 0 HB3 LEU A 12 0.035 -2.111 -18.004 1.00 10.31 H new ATOM 0 HG LEU A 12 -1.577 -1.330 -20.234 1.00 34.24 H new ATOM 0 HD11 LEU A 12 -0.834 1.003 -20.505 1.00 13.25 H new ATOM 0 HD12 LEU A 12 -1.900 0.809 -19.093 1.00 13.25 H new ATOM 0 HD13 LEU A 12 -0.142 0.968 -18.866 1.00 13.25 H new ATOM 0 HD21 LEU A 12 0.624 -0.848 -21.233 1.00 20.42 H new ATOM 0 HD22 LEU A 12 1.373 -0.956 -19.622 1.00 20.42 H new ATOM 0 HD23 LEU A 12 0.622 -2.395 -20.353 1.00 20.42 H new ATOM 167 N TYR A 13 -1.230 -4.795 -17.575 1.00 53.21 N ATOM 168 CA TYR A 13 -0.813 -6.153 -17.901 1.00 61.24 C ATOM 169 C TYR A 13 -1.876 -7.165 -17.483 1.00 44.14 C ATOM 170 O TYR A 13 -1.678 -8.374 -17.600 1.00 14.32 O ATOM 171 CB TYR A 13 0.515 -6.479 -17.216 1.00 63.54 C ATOM 172 CG TYR A 13 1.728 -6.062 -18.017 1.00 61.11 C ATOM 173 CD1 TYR A 13 2.298 -6.920 -18.949 1.00 64.41 C ATOM 174 CD2 TYR A 13 2.304 -4.810 -17.841 1.00 22.20 C ATOM 175 CE1 TYR A 13 3.407 -6.544 -19.683 1.00 11.25 C ATOM 176 CE2 TYR A 13 3.412 -4.425 -18.571 1.00 12.50 C ATOM 177 CZ TYR A 13 3.960 -5.295 -19.490 1.00 54.22 C ATOM 178 OH TYR A 13 5.064 -4.915 -20.218 1.00 52.13 O ATOM 0 H TYR A 13 -1.169 -4.562 -16.584 1.00 53.21 H new ATOM 0 HA TYR A 13 -0.682 -6.216 -18.981 1.00 61.24 H new ATOM 0 HB2 TYR A 13 0.544 -5.985 -16.245 1.00 63.54 H new ATOM 0 HB3 TYR A 13 0.564 -7.552 -17.030 1.00 63.54 H new ATOM 0 HD1 TYR A 13 1.867 -7.898 -19.103 1.00 64.41 H new ATOM 0 HD2 TYR A 13 1.878 -4.126 -17.121 1.00 22.20 H new ATOM 0 HE1 TYR A 13 3.838 -7.224 -20.403 1.00 11.25 H new ATOM 0 HE2 TYR A 13 3.847 -3.448 -18.423 1.00 12.50 H new ATOM 0 HH TYR A 13 5.327 -4.006 -19.962 1.00 52.13 H new ATOM 188 N GLY A 14 -3.005 -6.660 -16.996 1.00 21.03 N ATOM 189 CA GLY A 14 -4.083 -7.532 -16.568 1.00 13.22 C ATOM 190 C GLY A 14 -3.862 -8.087 -15.175 1.00 13.54 C ATOM 191 O GLY A 14 -4.486 -9.074 -14.785 1.00 21.35 O ATOM 0 H GLY A 14 -3.192 -5.663 -16.890 1.00 21.03 H new ATOM 0 HA2 GLY A 14 -5.023 -6.981 -16.591 1.00 13.22 H new ATOM 0 HA3 GLY A 14 -4.180 -8.357 -17.273 1.00 13.22 H new ATOM 195 N THR A 15 -2.970 -7.451 -14.421 1.00 32.21 N ATOM 196 CA THR A 15 -2.666 -7.888 -13.064 1.00 61.53 C ATOM 197 C THR A 15 -3.102 -6.847 -12.040 1.00 44.21 C ATOM 198 O THR A 15 -2.701 -5.685 -12.111 1.00 44.14 O ATOM 199 CB THR A 15 -1.161 -8.167 -12.888 1.00 73.10 C ATOM 200 OG1 THR A 15 -0.413 -6.962 -13.086 1.00 74.24 O ATOM 201 CG2 THR A 15 -0.689 -9.230 -13.869 1.00 33.15 C ATOM 0 H THR A 15 -2.446 -6.632 -14.728 1.00 32.21 H new ATOM 0 HA THR A 15 -3.221 -8.811 -12.897 1.00 61.53 H new ATOM 0 HB THR A 15 -0.998 -8.533 -11.874 1.00 73.10 H new ATOM 0 HG1 THR A 15 -0.911 -6.361 -13.679 1.00 74.24 H new ATOM 0 HG21 THR A 15 0.376 -9.410 -13.726 1.00 33.15 H new ATOM 0 HG22 THR A 15 -1.240 -10.155 -13.696 1.00 33.15 H new ATOM 0 HG23 THR A 15 -0.865 -8.888 -14.889 1.00 33.15 H new ATOM 209 N LYS A 16 -3.925 -7.270 -11.087 1.00 3.44 N ATOM 210 CA LYS A 16 -4.414 -6.374 -10.045 1.00 72.12 C ATOM 211 C LYS A 16 -3.655 -6.591 -8.740 1.00 44.43 C ATOM 212 O LYS A 16 -4.257 -6.762 -7.681 1.00 62.54 O ATOM 213 CB LYS A 16 -5.912 -6.593 -9.818 1.00 43.23 C ATOM 214 CG LYS A 16 -6.291 -8.051 -9.623 1.00 41.43 C ATOM 215 CD LYS A 16 -7.716 -8.193 -9.116 1.00 72.14 C ATOM 216 CE LYS A 16 -7.785 -9.094 -7.893 1.00 12.13 C ATOM 217 NZ LYS A 16 -9.126 -9.725 -7.743 1.00 42.22 N ATOM 0 H LYS A 16 -4.268 -8.228 -11.014 1.00 3.44 H new ATOM 0 HA LYS A 16 -4.248 -5.349 -10.375 1.00 72.12 H new ATOM 0 HB2 LYS A 16 -6.225 -6.025 -8.942 1.00 43.23 H new ATOM 0 HB3 LYS A 16 -6.462 -6.194 -10.670 1.00 43.23 H new ATOM 0 HG2 LYS A 16 -6.185 -8.585 -10.567 1.00 41.43 H new ATOM 0 HG3 LYS A 16 -5.604 -8.515 -8.915 1.00 41.43 H new ATOM 0 HD2 LYS A 16 -8.115 -7.209 -8.868 1.00 72.14 H new ATOM 0 HD3 LYS A 16 -8.346 -8.602 -9.906 1.00 72.14 H new ATOM 0 HE2 LYS A 16 -7.025 -9.871 -7.971 1.00 12.13 H new ATOM 0 HE3 LYS A 16 -7.555 -8.512 -7.000 1.00 12.13 H new ATOM 0 HZ1 LYS A 16 -9.132 -10.331 -6.898 1.00 42.22 H new ATOM 0 HZ2 LYS A 16 -9.849 -8.984 -7.643 1.00 42.22 H new ATOM 0 HZ3 LYS A 16 -9.335 -10.301 -8.584 1.00 42.22 H new ATOM 231 N GLY A 17 -2.328 -6.579 -8.824 1.00 64.51 N ATOM 232 CA GLY A 17 -1.508 -6.774 -7.642 1.00 70.45 C ATOM 233 C GLY A 17 -1.310 -5.493 -6.857 1.00 24.32 C ATOM 234 O GLY A 17 -1.847 -4.440 -7.200 1.00 30.03 O ATOM 0 H GLY A 17 -1.806 -6.438 -9.689 1.00 64.51 H new ATOM 0 HA2 GLY A 17 -1.973 -7.522 -7.000 1.00 70.45 H new ATOM 0 HA3 GLY A 17 -0.536 -7.169 -7.939 1.00 70.45 H new ATOM 238 N PRO A 18 -0.522 -5.575 -5.774 1.00 41.52 N ATOM 239 CA PRO A 18 -0.237 -4.422 -4.914 1.00 42.04 C ATOM 240 C PRO A 18 0.650 -3.390 -5.603 1.00 60.31 C ATOM 241 O PRO A 18 1.490 -3.735 -6.434 1.00 13.33 O ATOM 242 CB PRO A 18 0.493 -5.042 -3.720 1.00 73.11 C ATOM 243 CG PRO A 18 1.101 -6.292 -4.255 1.00 72.43 C ATOM 244 CD PRO A 18 0.151 -6.798 -5.306 1.00 45.33 C ATOM 0 HA PRO A 18 -1.144 -3.882 -4.643 1.00 42.04 H new ATOM 0 HB2 PRO A 18 1.254 -4.368 -3.328 1.00 73.11 H new ATOM 0 HB3 PRO A 18 -0.195 -5.255 -2.902 1.00 73.11 H new ATOM 0 HG2 PRO A 18 2.085 -6.096 -4.680 1.00 72.43 H new ATOM 0 HG3 PRO A 18 1.237 -7.030 -3.464 1.00 72.43 H new ATOM 0 HD2 PRO A 18 0.679 -7.301 -6.116 1.00 45.33 H new ATOM 0 HD3 PRO A 18 -0.559 -7.515 -4.894 1.00 45.33 H new ATOM 252 N GLY A 19 0.458 -2.122 -5.252 1.00 32.32 N ATOM 253 CA GLY A 19 1.248 -1.060 -5.846 1.00 22.02 C ATOM 254 C GLY A 19 2.499 -0.752 -5.047 1.00 12.43 C ATOM 255 O GLY A 19 2.487 -0.803 -3.816 1.00 61.44 O ATOM 0 H GLY A 19 -0.231 -1.812 -4.567 1.00 32.32 H new ATOM 0 HA2 GLY A 19 1.529 -1.344 -6.860 1.00 22.02 H new ATOM 0 HA3 GLY A 19 0.640 -0.159 -5.924 1.00 22.02 H new ATOM 259 N CYS A 20 3.582 -0.431 -5.746 1.00 61.13 N ATOM 260 CA CYS A 20 4.848 -0.115 -5.095 1.00 73.23 C ATOM 261 C CYS A 20 4.720 1.141 -4.239 1.00 42.40 C ATOM 262 O CYS A 20 4.036 2.094 -4.613 1.00 50.42 O ATOM 263 CB CYS A 20 5.949 0.076 -6.140 1.00 71.12 C ATOM 264 SG CYS A 20 6.129 -1.322 -7.295 1.00 0.42 S ATOM 0 H CYS A 20 3.609 -0.383 -6.765 1.00 61.13 H new ATOM 0 HA CYS A 20 5.113 -0.950 -4.446 1.00 73.23 H new ATOM 0 HB2 CYS A 20 5.740 0.981 -6.711 1.00 71.12 H new ATOM 0 HB3 CYS A 20 6.898 0.235 -5.628 1.00 71.12 H new ATOM 269 N CYS A 21 5.384 1.136 -3.088 1.00 31.01 N ATOM 270 CA CYS A 21 5.346 2.274 -2.177 1.00 72.13 C ATOM 271 C CYS A 21 6.049 3.483 -2.788 1.00 24.34 C ATOM 272 O CYS A 21 5.618 4.621 -2.608 1.00 21.31 O ATOM 273 CB CYS A 21 6.000 1.909 -0.844 1.00 24.44 C ATOM 274 SG CYS A 21 5.203 0.516 0.019 1.00 2.33 S ATOM 0 H CYS A 21 5.955 0.356 -2.764 1.00 31.01 H new ATOM 0 HA CYS A 21 4.302 2.533 -2.002 1.00 72.13 H new ATOM 0 HB2 CYS A 21 7.047 1.662 -1.021 1.00 24.44 H new ATOM 0 HB3 CYS A 21 5.984 2.783 -0.193 1.00 24.44 H new ATOM 279 N ASN A 22 7.135 3.226 -3.510 1.00 41.00 N ATOM 280 CA ASN A 22 7.899 4.293 -4.147 1.00 20.41 C ATOM 281 C ASN A 22 8.831 3.731 -5.217 1.00 35.55 C ATOM 282 O ASN A 22 9.938 3.286 -4.919 1.00 4.33 O ATOM 283 CB ASN A 22 8.710 5.062 -3.102 1.00 33.22 C ATOM 284 CG ASN A 22 9.366 4.144 -2.089 1.00 22.31 C ATOM 285 OD1 ASN A 22 9.611 2.969 -2.366 1.00 40.40 O ATOM 286 ND2 ASN A 22 9.654 4.676 -0.907 1.00 42.41 N ATOM 0 H ASN A 22 7.506 2.289 -3.669 1.00 41.00 H new ATOM 0 HA ASN A 22 7.195 4.974 -4.625 1.00 20.41 H new ATOM 0 HB2 ASN A 22 9.477 5.652 -3.604 1.00 33.22 H new ATOM 0 HB3 ASN A 22 8.057 5.763 -2.583 1.00 33.22 H new ATOM 0 HD21 ASN A 22 10.096 4.106 -0.185 1.00 42.41 H new ATOM 0 HD22 ASN A 22 9.433 5.654 -0.721 1.00 42.41 H new ATOM 293 N GLY A 23 8.372 3.754 -6.465 1.00 4.24 N ATOM 294 CA GLY A 23 9.177 3.245 -7.560 1.00 33.01 C ATOM 295 C GLY A 23 8.332 2.732 -8.709 1.00 65.34 C ATOM 296 O GLY A 23 7.180 2.342 -8.518 1.00 65.52 O ATOM 0 H GLY A 23 7.458 4.116 -6.737 1.00 4.24 H new ATOM 0 HA2 GLY A 23 9.835 4.035 -7.921 1.00 33.01 H new ATOM 0 HA3 GLY A 23 9.815 2.441 -7.195 1.00 33.01 H new ATOM 300 N LYS A 24 8.905 2.733 -9.908 1.00 60.25 N ATOM 301 CA LYS A 24 8.198 2.264 -11.095 1.00 4.43 C ATOM 302 C LYS A 24 8.177 0.740 -11.149 1.00 42.20 C ATOM 303 O LYS A 24 9.175 0.084 -10.849 1.00 1.24 O ATOM 304 CB LYS A 24 8.857 2.821 -12.359 1.00 10.31 C ATOM 305 CG LYS A 24 7.887 3.026 -13.510 1.00 65.22 C ATOM 306 CD LYS A 24 8.596 3.543 -14.751 1.00 2.02 C ATOM 307 CE LYS A 24 7.764 4.593 -15.471 1.00 3.32 C ATOM 308 NZ LYS A 24 7.841 4.443 -16.950 1.00 44.34 N ATOM 0 H LYS A 24 9.857 3.053 -10.084 1.00 60.25 H new ATOM 0 HA LYS A 24 7.170 2.622 -11.041 1.00 4.43 H new ATOM 0 HB2 LYS A 24 9.333 3.773 -12.122 1.00 10.31 H new ATOM 0 HB3 LYS A 24 9.647 2.140 -12.677 1.00 10.31 H new ATOM 0 HG2 LYS A 24 7.389 2.084 -13.740 1.00 65.22 H new ATOM 0 HG3 LYS A 24 7.111 3.732 -13.212 1.00 65.22 H new ATOM 0 HD2 LYS A 24 9.559 3.970 -14.470 1.00 2.02 H new ATOM 0 HD3 LYS A 24 8.800 2.713 -15.427 1.00 2.02 H new ATOM 0 HE2 LYS A 24 6.725 4.515 -15.152 1.00 3.32 H new ATOM 0 HE3 LYS A 24 8.110 5.587 -15.188 1.00 3.32 H new ATOM 0 HZ1 LYS A 24 7.261 5.177 -17.404 1.00 44.34 H new ATOM 0 HZ2 LYS A 24 8.829 4.543 -17.258 1.00 44.34 H new ATOM 0 HZ3 LYS A 24 7.487 3.504 -17.223 1.00 44.34 H new ATOM 322 N CYS A 25 7.035 0.182 -11.535 1.00 52.33 N ATOM 323 CA CYS A 25 6.884 -1.265 -11.630 1.00 55.43 C ATOM 324 C CYS A 25 7.575 -1.803 -12.880 1.00 0.14 C ATOM 325 O CYS A 25 7.179 -1.492 -14.003 1.00 40.23 O ATOM 326 CB CYS A 25 5.401 -1.643 -11.651 1.00 63.13 C ATOM 327 SG CYS A 25 4.671 -1.882 -9.999 1.00 65.45 S ATOM 0 H CYS A 25 6.200 0.710 -11.787 1.00 52.33 H new ATOM 0 HA CYS A 25 7.354 -1.713 -10.755 1.00 55.43 H new ATOM 0 HB2 CYS A 25 4.846 -0.863 -12.173 1.00 63.13 H new ATOM 0 HB3 CYS A 25 5.279 -2.561 -12.227 1.00 63.13 H new ATOM 332 N ILE A 26 8.609 -2.612 -12.674 1.00 42.55 N ATOM 333 CA ILE A 26 9.355 -3.194 -13.783 1.00 55.05 C ATOM 334 C ILE A 26 8.666 -4.449 -14.310 1.00 10.32 C ATOM 335 O ILE A 26 9.019 -5.567 -13.935 1.00 70.43 O ATOM 336 CB ILE A 26 10.795 -3.548 -13.369 1.00 41.14 C ATOM 337 CG1 ILE A 26 11.536 -2.295 -12.897 1.00 73.03 C ATOM 338 CG2 ILE A 26 11.534 -4.202 -14.528 1.00 13.43 C ATOM 339 CD1 ILE A 26 11.620 -1.211 -13.949 1.00 14.33 C ATOM 0 H ILE A 26 8.949 -2.879 -11.750 1.00 42.55 H new ATOM 0 HA ILE A 26 9.387 -2.442 -14.571 1.00 55.05 H new ATOM 0 HB ILE A 26 10.756 -4.257 -12.542 1.00 41.14 H new ATOM 0 HG12 ILE A 26 11.034 -1.896 -12.015 1.00 73.03 H new ATOM 0 HG13 ILE A 26 12.545 -2.573 -12.591 1.00 73.03 H new ATOM 0 HG21 ILE A 26 12.551 -4.446 -14.220 1.00 13.43 H new ATOM 0 HG22 ILE A 26 11.015 -5.114 -14.822 1.00 13.43 H new ATOM 0 HG23 ILE A 26 11.567 -3.514 -15.373 1.00 13.43 H new ATOM 0 HD11 ILE A 26 12.158 -0.353 -13.545 1.00 14.33 H new ATOM 0 HD12 ILE A 26 12.148 -1.592 -14.823 1.00 14.33 H new ATOM 0 HD13 ILE A 26 10.614 -0.905 -14.238 1.00 14.33 H new ATOM 351 N CYS A 27 7.682 -4.255 -15.182 1.00 23.40 N ATOM 352 CA CYS A 27 6.944 -5.371 -15.762 1.00 40.42 C ATOM 353 C CYS A 27 7.706 -5.975 -16.938 1.00 5.22 C ATOM 354 O CYS A 27 8.106 -5.266 -17.862 1.00 73.31 O ATOM 355 CB CYS A 27 5.559 -4.909 -16.221 1.00 64.12 C ATOM 356 SG CYS A 27 4.454 -4.409 -14.862 1.00 71.23 S ATOM 0 H CYS A 27 7.377 -3.336 -15.502 1.00 23.40 H new ATOM 0 HA CYS A 27 6.829 -6.137 -14.995 1.00 40.42 H new ATOM 0 HB2 CYS A 27 5.676 -4.070 -16.907 1.00 64.12 H new ATOM 0 HB3 CYS A 27 5.086 -5.715 -16.782 1.00 64.12 H new ATOM 361 N ARG A 28 7.904 -7.288 -16.895 1.00 65.32 N ATOM 362 CA ARG A 28 8.620 -7.988 -17.956 1.00 35.03 C ATOM 363 C ARG A 28 8.124 -9.425 -18.089 1.00 21.11 C ATOM 364 O ARG A 28 7.729 -10.052 -17.105 1.00 3.51 O ATOM 365 CB ARG A 28 10.124 -7.980 -17.677 1.00 52.53 C ATOM 366 CG ARG A 28 10.911 -8.938 -18.556 1.00 1.21 C ATOM 367 CD ARG A 28 12.399 -8.879 -18.250 1.00 25.33 C ATOM 368 NE ARG A 28 13.081 -10.120 -18.608 1.00 63.11 N ATOM 369 CZ ARG A 28 14.403 -10.243 -18.664 1.00 52.34 C ATOM 370 NH1 ARG A 28 15.181 -9.205 -18.387 1.00 35.53 N ATOM 371 NH2 ARG A 28 14.949 -11.405 -18.998 1.00 52.05 N ATOM 0 H ARG A 28 7.579 -7.889 -16.138 1.00 65.32 H new ATOM 0 HA ARG A 28 8.429 -7.467 -18.894 1.00 35.03 H new ATOM 0 HB2 ARG A 28 10.507 -6.970 -17.822 1.00 52.53 H new ATOM 0 HB3 ARG A 28 10.292 -8.238 -16.631 1.00 52.53 H new ATOM 0 HG2 ARG A 28 10.547 -9.954 -18.405 1.00 1.21 H new ATOM 0 HG3 ARG A 28 10.744 -8.692 -19.605 1.00 1.21 H new ATOM 0 HD2 ARG A 28 12.848 -8.048 -18.794 1.00 25.33 H new ATOM 0 HD3 ARG A 28 12.543 -8.679 -17.188 1.00 25.33 H new ATOM 0 HE ARG A 28 12.511 -10.937 -18.827 1.00 63.11 H new ATOM 0 HH11 ARG A 28 14.765 -8.310 -18.130 1.00 35.53 H new ATOM 0 HH12 ARG A 28 16.195 -9.302 -18.431 1.00 35.53 H new ATOM 0 HH21 ARG A 28 14.354 -12.205 -19.212 1.00 52.05 H new ATOM 0 HH22 ARG A 28 15.964 -11.498 -19.041 1.00 52.05 H new ATOM 385 N THR A 29 8.147 -9.943 -19.313 1.00 42.54 N ATOM 386 CA THR A 29 7.699 -11.304 -19.576 1.00 62.32 C ATOM 387 C THR A 29 8.874 -12.276 -19.594 1.00 11.32 C ATOM 388 O THR A 29 9.951 -11.955 -20.097 1.00 14.40 O ATOM 389 CB THR A 29 6.949 -11.400 -20.918 1.00 14.31 C ATOM 390 OG1 THR A 29 7.436 -10.403 -21.824 1.00 33.24 O ATOM 391 CG2 THR A 29 5.452 -11.219 -20.715 1.00 31.34 C ATOM 0 H THR A 29 8.472 -9.439 -20.138 1.00 42.54 H new ATOM 0 HA THR A 29 7.019 -11.574 -18.768 1.00 62.32 H new ATOM 0 HB THR A 29 7.126 -12.390 -21.338 1.00 14.31 H new ATOM 0 HG1 THR A 29 6.955 -10.472 -22.675 1.00 33.24 H new ATOM 0 HG21 THR A 29 4.943 -11.291 -21.676 1.00 31.34 H new ATOM 0 HG22 THR A 29 5.079 -11.996 -20.048 1.00 31.34 H new ATOM 0 HG23 THR A 29 5.260 -10.240 -20.275 1.00 31.34 H new ATOM 399 N VAL A 30 8.660 -13.466 -19.042 1.00 11.10 N ATOM 400 CA VAL A 30 9.701 -14.486 -18.996 1.00 40.41 C ATOM 401 C VAL A 30 9.099 -15.886 -18.993 1.00 72.23 C ATOM 402 O VAL A 30 8.273 -16.232 -18.148 1.00 25.32 O ATOM 403 CB VAL A 30 10.594 -14.320 -17.752 1.00 61.31 C ATOM 404 CG1 VAL A 30 11.508 -15.525 -17.587 1.00 32.14 C ATOM 405 CG2 VAL A 30 11.404 -13.036 -17.845 1.00 14.41 C ATOM 0 H VAL A 30 7.775 -13.748 -18.620 1.00 11.10 H new ATOM 0 HA VAL A 30 10.310 -14.358 -19.891 1.00 40.41 H new ATOM 0 HB VAL A 30 9.954 -14.256 -16.872 1.00 61.31 H new ATOM 0 HG11 VAL A 30 12.132 -15.390 -16.703 1.00 32.14 H new ATOM 0 HG12 VAL A 30 10.905 -16.426 -17.472 1.00 32.14 H new ATOM 0 HG13 VAL A 30 12.143 -15.623 -18.467 1.00 32.14 H new ATOM 0 HG21 VAL A 30 12.029 -12.935 -16.958 1.00 14.41 H new ATOM 0 HG22 VAL A 30 12.036 -13.068 -18.732 1.00 14.41 H new ATOM 0 HG23 VAL A 30 10.728 -12.183 -17.912 1.00 14.41 H new ATOM 415 N PRO A 31 9.520 -16.713 -19.961 1.00 63.34 N ATOM 416 CA PRO A 31 9.036 -18.091 -20.092 1.00 2.20 C ATOM 417 C PRO A 31 9.068 -18.845 -18.767 1.00 2.42 C ATOM 418 O PRO A 31 8.169 -19.631 -18.467 1.00 44.22 O ATOM 419 CB PRO A 31 10.015 -18.718 -21.088 1.00 2.04 C ATOM 420 CG PRO A 31 10.522 -17.572 -21.893 1.00 42.02 C ATOM 421 CD PRO A 31 10.502 -16.368 -21.003 1.00 3.31 C ATOM 0 HA PRO A 31 7.996 -18.128 -20.415 1.00 2.20 H new ATOM 0 HB2 PRO A 31 10.828 -19.231 -20.574 1.00 2.04 H new ATOM 0 HB3 PRO A 31 9.520 -19.456 -21.719 1.00 2.04 H new ATOM 0 HG2 PRO A 31 11.532 -17.770 -22.251 1.00 42.02 H new ATOM 0 HG3 PRO A 31 9.898 -17.412 -22.772 1.00 42.02 H new ATOM 0 HD2 PRO A 31 11.485 -16.171 -20.576 1.00 3.31 H new ATOM 0 HD3 PRO A 31 10.207 -15.472 -21.549 1.00 3.31 H new ATOM 429 N ARG A 32 10.108 -18.599 -17.977 1.00 24.32 N ATOM 430 CA ARG A 32 10.257 -19.256 -16.684 1.00 2.14 C ATOM 431 C ARG A 32 9.196 -18.769 -15.701 1.00 51.03 C ATOM 432 O ARG A 32 9.455 -17.895 -14.874 1.00 15.04 O ATOM 433 CB ARG A 32 11.653 -18.996 -16.113 1.00 72.14 C ATOM 434 CG ARG A 32 11.838 -19.515 -14.697 1.00 23.10 C ATOM 435 CD ARG A 32 13.166 -20.240 -14.539 1.00 33.03 C ATOM 436 NE ARG A 32 14.304 -19.355 -14.770 1.00 52.34 N ATOM 437 CZ ARG A 32 15.555 -19.783 -14.893 1.00 22.14 C ATOM 438 NH1 ARG A 32 15.828 -21.078 -14.806 1.00 54.21 N ATOM 439 NH2 ARG A 32 16.537 -18.916 -15.102 1.00 43.24 N ATOM 0 H ARG A 32 10.860 -17.950 -18.210 1.00 24.32 H new ATOM 0 HA ARG A 32 10.126 -20.328 -16.833 1.00 2.14 H new ATOM 0 HB2 ARG A 32 12.394 -19.463 -16.762 1.00 72.14 H new ATOM 0 HB3 ARG A 32 11.848 -17.924 -16.126 1.00 72.14 H new ATOM 0 HG2 ARG A 32 11.790 -18.683 -13.994 1.00 23.10 H new ATOM 0 HG3 ARG A 32 11.021 -20.191 -14.446 1.00 23.10 H new ATOM 0 HD2 ARG A 32 13.232 -20.661 -13.536 1.00 33.03 H new ATOM 0 HD3 ARG A 32 13.208 -21.075 -15.238 1.00 33.03 H new ATOM 0 HE ARG A 32 14.128 -18.353 -14.841 1.00 52.34 H new ATOM 0 HH11 ARG A 32 15.076 -21.748 -14.644 1.00 54.21 H new ATOM 0 HH12 ARG A 32 16.790 -21.404 -14.901 1.00 54.21 H new ATOM 0 HH21 ARG A 32 16.332 -17.919 -15.168 1.00 43.24 H new ATOM 0 HH22 ARG A 32 17.497 -19.246 -15.196 1.00 43.24 H new ATOM 453 N LYS A 33 8.000 -19.340 -15.799 1.00 62.02 N ATOM 454 CA LYS A 33 6.899 -18.966 -14.920 1.00 11.11 C ATOM 455 C LYS A 33 6.894 -17.462 -14.663 1.00 61.42 C ATOM 456 O LYS A 33 6.713 -17.017 -13.531 1.00 12.30 O ATOM 457 CB LYS A 33 7.000 -19.720 -13.592 1.00 63.43 C ATOM 458 CG LYS A 33 8.264 -19.408 -12.810 1.00 1.41 C ATOM 459 CD LYS A 33 8.146 -19.848 -11.361 1.00 21.44 C ATOM 460 CE LYS A 33 7.760 -18.689 -10.455 1.00 51.00 C ATOM 461 NZ LYS A 33 6.888 -19.130 -9.331 1.00 53.43 N ATOM 0 H LYS A 33 7.769 -20.064 -16.479 1.00 62.02 H new ATOM 0 HA LYS A 33 5.966 -19.236 -15.414 1.00 11.11 H new ATOM 0 HB2 LYS A 33 6.133 -19.475 -12.978 1.00 63.43 H new ATOM 0 HB3 LYS A 33 6.959 -20.791 -13.788 1.00 63.43 H new ATOM 0 HG2 LYS A 33 9.113 -19.908 -13.275 1.00 1.41 H new ATOM 0 HG3 LYS A 33 8.463 -18.337 -12.851 1.00 1.41 H new ATOM 0 HD2 LYS A 33 7.400 -20.639 -11.280 1.00 21.44 H new ATOM 0 HD3 LYS A 33 9.095 -20.270 -11.029 1.00 21.44 H new ATOM 0 HE2 LYS A 33 8.662 -18.225 -10.055 1.00 51.00 H new ATOM 0 HE3 LYS A 33 7.242 -17.928 -11.039 1.00 51.00 H new ATOM 0 HZ1 LYS A 33 6.647 -18.311 -8.737 1.00 53.43 H new ATOM 0 HZ2 LYS A 33 6.016 -19.550 -9.712 1.00 53.43 H new ATOM 0 HZ3 LYS A 33 7.391 -19.837 -8.758 1.00 53.43 H new ATOM 475 N GLY A 34 7.093 -16.685 -15.723 1.00 44.23 N ATOM 476 CA GLY A 34 7.107 -15.240 -15.591 1.00 52.42 C ATOM 477 C GLY A 34 5.992 -14.575 -16.374 1.00 72.53 C ATOM 478 O GLY A 34 6.245 -13.864 -17.347 1.00 34.40 O ATOM 0 H GLY A 34 7.245 -17.030 -16.671 1.00 44.23 H new ATOM 0 HA2 GLY A 34 7.016 -14.974 -14.538 1.00 52.42 H new ATOM 0 HA3 GLY A 34 8.067 -14.856 -15.935 1.00 52.42 H new ATOM 482 N VAL A 35 4.753 -14.808 -15.951 1.00 64.53 N ATOM 483 CA VAL A 35 3.595 -14.228 -16.620 1.00 41.00 C ATOM 484 C VAL A 35 3.413 -12.765 -16.232 1.00 52.14 C ATOM 485 O VAL A 35 2.580 -12.435 -15.390 1.00 15.32 O ATOM 486 CB VAL A 35 2.306 -15.001 -16.283 1.00 64.30 C ATOM 487 CG1 VAL A 35 2.139 -15.129 -14.777 1.00 33.23 C ATOM 488 CG2 VAL A 35 1.098 -14.319 -16.906 1.00 71.44 C ATOM 0 H VAL A 35 4.526 -15.395 -15.148 1.00 64.53 H new ATOM 0 HA VAL A 35 3.781 -14.297 -17.692 1.00 41.00 H new ATOM 0 HB VAL A 35 2.384 -16.004 -16.702 1.00 64.30 H new ATOM 0 HG11 VAL A 35 1.223 -15.678 -14.558 1.00 33.23 H new ATOM 0 HG12 VAL A 35 2.992 -15.665 -14.361 1.00 33.23 H new ATOM 0 HG13 VAL A 35 2.082 -14.136 -14.332 1.00 33.23 H new ATOM 0 HG21 VAL A 35 0.196 -14.879 -16.658 1.00 71.44 H new ATOM 0 HG22 VAL A 35 1.013 -13.304 -16.519 1.00 71.44 H new ATOM 0 HG23 VAL A 35 1.218 -14.285 -17.989 1.00 71.44 H new ATOM 498 N ASN A 36 4.198 -11.891 -16.854 1.00 63.42 N ATOM 499 CA ASN A 36 4.124 -10.462 -16.574 1.00 73.03 C ATOM 500 C ASN A 36 4.633 -10.156 -15.169 1.00 53.31 C ATOM 501 O ASN A 36 3.886 -9.671 -14.319 1.00 52.22 O ATOM 502 CB ASN A 36 2.685 -9.966 -16.727 1.00 55.30 C ATOM 503 CG ASN A 36 1.960 -10.638 -17.877 1.00 70.21 C ATOM 504 OD1 ASN A 36 2.558 -10.940 -18.910 1.00 74.02 O ATOM 505 ND2 ASN A 36 0.665 -10.876 -17.702 1.00 42.14 N ATOM 0 H ASN A 36 4.893 -12.148 -17.555 1.00 63.42 H new ATOM 0 HA ASN A 36 4.759 -9.942 -17.292 1.00 73.03 H new ATOM 0 HB2 ASN A 36 2.140 -10.150 -15.801 1.00 55.30 H new ATOM 0 HB3 ASN A 36 2.690 -8.888 -16.885 1.00 55.30 H new ATOM 0 HD21 ASN A 36 0.125 -11.326 -18.441 1.00 42.14 H new ATOM 0 HD22 ASN A 36 0.211 -10.608 -16.829 1.00 42.14 H new ATOM 512 N SER A 37 5.909 -10.442 -14.932 1.00 40.45 N ATOM 513 CA SER A 37 6.518 -10.200 -13.630 1.00 13.24 C ATOM 514 C SER A 37 6.880 -8.727 -13.464 1.00 62.03 C ATOM 515 O SER A 37 7.769 -8.214 -14.145 1.00 23.14 O ATOM 516 CB SER A 37 7.767 -11.067 -13.458 1.00 13.51 C ATOM 517 OG SER A 37 8.528 -11.106 -14.652 1.00 61.34 O ATOM 0 H SER A 37 6.541 -10.842 -15.625 1.00 40.45 H new ATOM 0 HA SER A 37 5.792 -10.466 -12.862 1.00 13.24 H new ATOM 0 HB2 SER A 37 8.378 -10.673 -12.646 1.00 13.51 H new ATOM 0 HB3 SER A 37 7.475 -12.079 -13.176 1.00 13.51 H new ATOM 0 HG SER A 37 8.497 -10.229 -15.088 1.00 61.34 H new ATOM 523 N CYS A 38 6.185 -8.052 -12.555 1.00 41.43 N ATOM 524 CA CYS A 38 6.431 -6.638 -12.299 1.00 4.21 C ATOM 525 C CYS A 38 7.110 -6.440 -10.947 1.00 23.45 C ATOM 526 O CYS A 38 6.484 -6.595 -9.898 1.00 2.42 O ATOM 527 CB CYS A 38 5.118 -5.854 -12.342 1.00 2.11 C ATOM 528 SG CYS A 38 4.162 -6.088 -13.875 1.00 4.11 S ATOM 0 H CYS A 38 5.446 -8.462 -11.983 1.00 41.43 H new ATOM 0 HA CYS A 38 7.095 -6.264 -13.078 1.00 4.21 H new ATOM 0 HB2 CYS A 38 4.502 -6.151 -11.493 1.00 2.11 H new ATOM 0 HB3 CYS A 38 5.337 -4.793 -12.221 1.00 2.11 H new ATOM 533 N ARG A 39 8.394 -6.098 -10.980 1.00 20.24 N ATOM 534 CA ARG A 39 9.158 -5.881 -9.757 1.00 44.53 C ATOM 535 C ARG A 39 9.364 -4.390 -9.503 1.00 31.12 C ATOM 536 O ARG A 39 9.734 -3.640 -10.407 1.00 31.23 O ATOM 537 CB ARG A 39 10.513 -6.585 -9.845 1.00 63.44 C ATOM 538 CG ARG A 39 10.419 -8.032 -10.301 1.00 74.33 C ATOM 539 CD ARG A 39 10.932 -8.987 -9.235 1.00 33.13 C ATOM 540 NE ARG A 39 12.272 -8.629 -8.779 1.00 22.31 N ATOM 541 CZ ARG A 39 13.010 -9.401 -7.988 1.00 40.15 C ATOM 542 NH1 ARG A 39 12.540 -10.567 -7.569 1.00 30.52 N ATOM 543 NH2 ARG A 39 14.221 -9.006 -7.617 1.00 21.24 N ATOM 0 H ARG A 39 8.927 -5.965 -11.840 1.00 20.24 H new ATOM 0 HA ARG A 39 8.592 -6.300 -8.925 1.00 44.53 H new ATOM 0 HB2 ARG A 39 11.154 -6.036 -10.535 1.00 63.44 H new ATOM 0 HB3 ARG A 39 10.995 -6.551 -8.868 1.00 63.44 H new ATOM 0 HG2 ARG A 39 9.383 -8.273 -10.539 1.00 74.33 H new ATOM 0 HG3 ARG A 39 10.995 -8.164 -11.217 1.00 74.33 H new ATOM 0 HD2 ARG A 39 10.248 -8.985 -8.387 1.00 33.13 H new ATOM 0 HD3 ARG A 39 10.943 -10.002 -9.633 1.00 33.13 H new ATOM 0 HE ARG A 39 12.663 -7.738 -9.084 1.00 22.31 H new ATOM 0 HH11 ARG A 39 11.610 -10.874 -7.854 1.00 30.52 H new ATOM 0 HH12 ARG A 39 13.108 -11.158 -6.962 1.00 30.52 H new ATOM 0 HH21 ARG A 39 14.586 -8.110 -7.939 1.00 21.24 H new ATOM 0 HH22 ARG A 39 14.787 -9.599 -7.010 1.00 21.24 H new ATOM 557 N CYS A 40 9.121 -3.967 -8.267 1.00 21.33 N ATOM 558 CA CYS A 40 9.278 -2.567 -7.892 1.00 61.12 C ATOM 559 C CYS A 40 10.706 -2.093 -8.146 1.00 41.14 C ATOM 560 O CYS A 40 11.652 -2.581 -7.529 1.00 1.23 O ATOM 561 CB CYS A 40 8.918 -2.368 -6.419 1.00 34.03 C ATOM 562 SG CYS A 40 7.159 -2.651 -6.039 1.00 14.01 S ATOM 0 H CYS A 40 8.814 -4.575 -7.507 1.00 21.33 H new ATOM 0 HA CYS A 40 8.602 -1.974 -8.508 1.00 61.12 H new ATOM 0 HB2 CYS A 40 9.523 -3.043 -5.814 1.00 34.03 H new ATOM 0 HB3 CYS A 40 9.183 -1.352 -6.125 1.00 34.03 H new ATOM 567 N MET A 41 10.853 -1.139 -9.060 1.00 1.34 N ATOM 568 CA MET A 41 12.165 -0.597 -9.394 1.00 62.44 C ATOM 569 C MET A 41 12.033 0.669 -10.234 1.00 14.31 C ATOM 570 O MET A 41 11.382 1.632 -9.826 1.00 33.24 O ATOM 571 CB MET A 41 12.993 -1.639 -10.149 1.00 71.34 C ATOM 572 CG MET A 41 14.278 -2.027 -9.437 1.00 5.32 C ATOM 573 SD MET A 41 14.694 -3.768 -9.651 1.00 73.21 S ATOM 574 CE MET A 41 16.219 -3.641 -10.582 1.00 14.51 C ATOM 0 H MET A 41 10.080 -0.726 -9.582 1.00 1.34 H new ATOM 0 HA MET A 41 12.673 -0.343 -8.464 1.00 62.44 H new ATOM 0 HB2 MET A 41 12.387 -2.532 -10.300 1.00 71.34 H new ATOM 0 HB3 MET A 41 13.238 -1.250 -11.137 1.00 71.34 H new ATOM 0 HG2 MET A 41 15.096 -1.413 -9.813 1.00 5.32 H new ATOM 0 HG3 MET A 41 14.179 -1.809 -8.374 1.00 5.32 H new ATOM 0 HE1 MET A 41 16.601 -4.640 -10.792 1.00 14.51 H new ATOM 0 HE2 MET A 41 16.030 -3.120 -11.521 1.00 14.51 H new ATOM 0 HE3 MET A 41 16.955 -3.086 -10.001 1.00 14.51 H new TER 584 MET A 41