USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 246 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 2 CYS SG : rot 169:sc= -23! USER MOD Set 1.2: A 27 CYS SG : rot -101:sc= -24! USER MOD Single : A 5 ASN : amide:sc= -0.309 K(o=-0.31,f=-3.6!) USER MOD Single : A 8 THR OG1 : rot 79:sc= 0.135 USER MOD Single : A 12 THR OG1 : rot 170:sc= -0.228 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -4.88! C(o=-4.9!,f=-12!) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.677 USER MOD ----------------------------------------------------------------- ATOM 8 N CYS A 2 0.204 1.814 -5.638 1.00 33.11 N ATOM 9 CA CYS A 2 -0.405 0.493 -5.535 1.00 51.22 C ATOM 10 C CYS A 2 -1.461 0.465 -4.434 1.00 53.32 C ATOM 11 O CYS A 2 -1.135 0.399 -3.249 1.00 30.03 O ATOM 12 CB CYS A 2 0.665 -0.564 -5.258 1.00 20.44 C ATOM 13 SG CYS A 2 -0.003 -2.218 -4.888 1.00 23.44 S ATOM 0 HA CYS A 2 -0.890 0.269 -6.485 1.00 51.22 H new ATOM 0 HB2 CYS A 2 1.323 -0.635 -6.124 1.00 20.44 H new ATOM 0 HB3 CYS A 2 1.277 -0.235 -4.418 1.00 20.44 H new ATOM 0 HG CYS A 2 0.962 -3.089 -4.902 1.00 23.44 H new ATOM 18 N ILE A 3 -2.727 0.516 -4.835 1.00 71.10 N ATOM 19 CA ILE A 3 -3.831 0.495 -3.883 1.00 63.01 C ATOM 20 C ILE A 3 -5.166 0.718 -4.585 1.00 11.44 C ATOM 21 O ILE A 3 -5.562 1.856 -4.842 1.00 32.00 O ATOM 22 CB ILE A 3 -3.652 1.566 -2.791 1.00 32.45 C ATOM 23 CG1 ILE A 3 -4.935 1.706 -1.969 1.00 32.02 C ATOM 24 CG2 ILE A 3 -3.267 2.899 -3.414 1.00 12.14 C ATOM 25 CD1 ILE A 3 -4.739 2.443 -0.662 1.00 64.44 C ATOM 0 H ILE A 3 -3.014 0.572 -5.812 1.00 71.10 H new ATOM 0 HA ILE A 3 -3.829 -0.491 -3.418 1.00 63.01 H new ATOM 0 HB ILE A 3 -2.848 1.254 -2.125 1.00 32.45 H new ATOM 0 HG12 ILE A 3 -5.682 2.231 -2.564 1.00 32.02 H new ATOM 0 HG13 ILE A 3 -5.333 0.713 -1.761 1.00 32.02 H new ATOM 0 HG21 ILE A 3 -3.144 3.645 -2.629 1.00 12.14 H new ATOM 0 HG22 ILE A 3 -2.330 2.788 -3.960 1.00 12.14 H new ATOM 0 HG23 ILE A 3 -4.051 3.220 -4.100 1.00 12.14 H new ATOM 0 HD11 ILE A 3 -5.690 2.504 -0.133 1.00 64.44 H new ATOM 0 HD12 ILE A 3 -4.016 1.907 -0.047 1.00 64.44 H new ATOM 0 HD13 ILE A 3 -4.370 3.449 -0.863 1.00 64.44 H new ATOM 37 N LEU A 4 -5.857 -0.374 -4.890 1.00 75.02 N ATOM 38 CA LEU A 4 -7.151 -0.298 -5.561 1.00 21.34 C ATOM 39 C LEU A 4 -8.117 -1.336 -4.999 1.00 20.51 C ATOM 40 O LEU A 4 -9.156 -1.618 -5.595 1.00 21.15 O ATOM 41 CB LEU A 4 -6.980 -0.506 -7.066 1.00 62.34 C ATOM 42 CG LEU A 4 -7.338 0.687 -7.954 1.00 23.44 C ATOM 43 CD1 LEU A 4 -6.087 1.466 -8.329 1.00 53.54 C ATOM 44 CD2 LEU A 4 -8.073 0.221 -9.202 1.00 14.32 C ATOM 0 H LEU A 4 -5.544 -1.323 -4.684 1.00 75.02 H new ATOM 0 HA LEU A 4 -7.568 0.693 -5.383 1.00 21.34 H new ATOM 0 HB2 LEU A 4 -5.942 -0.779 -7.259 1.00 62.34 H new ATOM 0 HB3 LEU A 4 -7.594 -1.355 -7.367 1.00 62.34 H new ATOM 0 HG LEU A 4 -7.999 1.348 -7.394 1.00 23.44 H new ATOM 0 HD11 LEU A 4 -6.360 2.311 -8.961 1.00 53.54 H new ATOM 0 HD12 LEU A 4 -5.601 1.831 -7.424 1.00 53.54 H new ATOM 0 HD13 LEU A 4 -5.402 0.815 -8.871 1.00 53.54 H new ATOM 0 HD21 LEU A 4 -8.320 1.083 -9.822 1.00 14.32 H new ATOM 0 HD22 LEU A 4 -7.437 -0.461 -9.766 1.00 14.32 H new ATOM 0 HD23 LEU A 4 -8.990 -0.293 -8.914 1.00 14.32 H new ATOM 56 N ASN A 5 -7.767 -1.901 -3.847 1.00 55.43 N ATOM 57 CA ASN A 5 -8.605 -2.907 -3.204 1.00 3.51 C ATOM 58 C ASN A 5 -7.992 -3.360 -1.882 1.00 40.32 C ATOM 59 O ASN A 5 -6.920 -2.898 -1.492 1.00 72.52 O ATOM 60 CB ASN A 5 -8.795 -4.110 -4.130 1.00 12.33 C ATOM 61 CG ASN A 5 -10.128 -4.799 -3.915 1.00 35.45 C ATOM 62 OD1 ASN A 5 -10.936 -4.370 -3.091 1.00 13.12 O ATOM 63 ND2 ASN A 5 -10.364 -5.875 -4.656 1.00 74.25 N ATOM 0 H ASN A 5 -6.910 -1.679 -3.341 1.00 55.43 H new ATOM 0 HA ASN A 5 -9.577 -2.458 -2.999 1.00 3.51 H new ATOM 0 HB2 ASN A 5 -8.721 -3.782 -5.167 1.00 12.33 H new ATOM 0 HB3 ASN A 5 -7.989 -4.824 -3.964 1.00 12.33 H new ATOM 0 HD21 ASN A 5 -11.244 -6.381 -4.554 1.00 74.25 H new ATOM 0 HD22 ASN A 5 -9.666 -6.195 -5.327 1.00 74.25 H new ATOM 70 N GLY A 6 -8.681 -4.267 -1.197 1.00 22.50 N ATOM 71 CA GLY A 6 -8.189 -4.769 0.073 1.00 11.41 C ATOM 72 C GLY A 6 -7.635 -6.175 -0.034 1.00 21.40 C ATOM 73 O GLY A 6 -7.798 -6.985 0.879 1.00 72.12 O ATOM 0 H GLY A 6 -9.571 -4.663 -1.499 1.00 22.50 H new ATOM 0 HA2 GLY A 6 -7.411 -4.103 0.446 1.00 11.41 H new ATOM 0 HA3 GLY A 6 -8.998 -4.755 0.803 1.00 11.41 H new ATOM 77 N ARG A 7 -6.979 -6.468 -1.152 1.00 52.24 N ATOM 78 CA ARG A 7 -6.402 -7.788 -1.377 1.00 2.44 C ATOM 79 C ARG A 7 -4.899 -7.776 -1.111 1.00 52.12 C ATOM 80 O ARG A 7 -4.350 -8.722 -0.545 1.00 42.41 O ATOM 81 CB ARG A 7 -6.674 -8.250 -2.809 1.00 61.02 C ATOM 82 CG ARG A 7 -8.145 -8.497 -3.101 1.00 11.24 C ATOM 83 CD ARG A 7 -8.398 -9.941 -3.504 1.00 54.11 C ATOM 84 NE ARG A 7 -9.464 -10.053 -4.496 1.00 72.03 N ATOM 85 CZ ARG A 7 -9.640 -11.120 -5.268 1.00 54.42 C ATOM 86 NH1 ARG A 7 -8.826 -12.160 -5.163 1.00 22.44 N ATOM 87 NH2 ARG A 7 -10.633 -11.147 -6.148 1.00 15.21 N ATOM 0 H ARG A 7 -6.834 -5.809 -1.917 1.00 52.24 H new ATOM 0 HA ARG A 7 -6.871 -8.485 -0.683 1.00 2.44 H new ATOM 0 HB2 ARG A 7 -6.296 -7.498 -3.502 1.00 61.02 H new ATOM 0 HB3 ARG A 7 -6.116 -9.167 -2.998 1.00 61.02 H new ATOM 0 HG2 ARG A 7 -8.738 -8.255 -2.219 1.00 11.24 H new ATOM 0 HG3 ARG A 7 -8.475 -7.832 -3.899 1.00 11.24 H new ATOM 0 HD2 ARG A 7 -7.481 -10.371 -3.907 1.00 54.11 H new ATOM 0 HD3 ARG A 7 -8.662 -10.523 -2.621 1.00 54.11 H new ATOM 0 HE ARG A 7 -10.108 -9.270 -4.602 1.00 72.03 H new ATOM 0 HH11 ARG A 7 -8.061 -12.143 -4.488 1.00 22.44 H new ATOM 0 HH12 ARG A 7 -8.964 -12.978 -5.757 1.00 22.44 H new ATOM 0 HH21 ARG A 7 -11.262 -10.348 -6.232 1.00 15.21 H new ATOM 0 HH22 ARG A 7 -10.767 -11.966 -6.740 1.00 15.21 H new ATOM 101 N THR A 8 -4.239 -6.699 -1.525 1.00 3.45 N ATOM 102 CA THR A 8 -2.800 -6.564 -1.333 1.00 72.04 C ATOM 103 C THR A 8 -2.411 -6.827 0.117 1.00 72.42 C ATOM 104 O THR A 8 -3.093 -6.386 1.042 1.00 22.12 O ATOM 105 CB THR A 8 -2.308 -5.162 -1.738 1.00 55.44 C ATOM 106 OG1 THR A 8 -0.985 -4.943 -1.238 1.00 22.11 O ATOM 107 CG2 THR A 8 -3.242 -4.086 -1.204 1.00 50.33 C ATOM 0 H THR A 8 -4.678 -5.907 -1.995 1.00 3.45 H new ATOM 0 HA THR A 8 -2.325 -7.307 -1.974 1.00 72.04 H new ATOM 0 HB THR A 8 -2.298 -5.105 -2.826 1.00 55.44 H new ATOM 0 HG1 THR A 8 -0.338 -5.402 -1.813 1.00 22.11 H new ATOM 0 HG21 THR A 8 -2.874 -3.104 -1.502 1.00 50.33 H new ATOM 0 HG22 THR A 8 -4.242 -4.238 -1.610 1.00 50.33 H new ATOM 0 HG23 THR A 8 -3.280 -4.144 -0.116 1.00 50.33 H new ATOM 115 N ASP A 9 -1.312 -7.548 0.308 1.00 61.22 N ATOM 116 CA ASP A 9 -0.831 -7.869 1.647 1.00 41.13 C ATOM 117 C ASP A 9 -1.941 -8.490 2.489 1.00 51.13 C ATOM 118 O ASP A 9 -2.657 -7.789 3.206 1.00 61.33 O ATOM 119 CB ASP A 9 -0.295 -6.612 2.334 1.00 40.01 C ATOM 120 CG ASP A 9 0.123 -6.870 3.768 1.00 14.23 C ATOM 121 OD1 ASP A 9 0.943 -7.785 3.993 1.00 55.04 O ATOM 122 OD2 ASP A 9 -0.370 -6.156 4.666 1.00 3.25 O ATOM 0 H ASP A 9 -0.737 -7.921 -0.447 1.00 61.22 H new ATOM 0 HA ASP A 9 -0.023 -8.594 1.552 1.00 41.13 H new ATOM 0 HB2 ASP A 9 0.558 -6.231 1.773 1.00 40.01 H new ATOM 0 HB3 ASP A 9 -1.061 -5.837 2.316 1.00 40.01 H new ATOM 127 N LEU A 10 -2.080 -9.808 2.396 1.00 2.22 N ATOM 128 CA LEU A 10 -3.104 -10.524 3.149 1.00 40.02 C ATOM 129 C LEU A 10 -2.511 -11.740 3.854 1.00 13.30 C ATOM 130 O LEU A 10 -1.311 -11.996 3.769 1.00 50.43 O ATOM 131 CB LEU A 10 -4.236 -10.962 2.218 1.00 52.30 C ATOM 132 CG LEU A 10 -5.628 -10.427 2.557 1.00 72.23 C ATOM 133 CD1 LEU A 10 -5.621 -8.907 2.598 1.00 23.02 C ATOM 134 CD2 LEU A 10 -6.652 -10.930 1.550 1.00 72.13 C ATOM 0 H LEU A 10 -1.497 -10.402 1.807 1.00 2.22 H new ATOM 0 HA LEU A 10 -3.504 -9.848 3.905 1.00 40.02 H new ATOM 0 HB2 LEU A 10 -3.986 -10.651 1.204 1.00 52.30 H new ATOM 0 HB3 LEU A 10 -4.278 -12.051 2.217 1.00 52.30 H new ATOM 0 HG LEU A 10 -5.907 -10.795 3.544 1.00 72.23 H new ATOM 0 HD11 LEU A 10 -6.620 -8.545 2.841 1.00 23.02 H new ATOM 0 HD12 LEU A 10 -4.917 -8.567 3.358 1.00 23.02 H new ATOM 0 HD13 LEU A 10 -5.321 -8.518 1.625 1.00 23.02 H new ATOM 0 HD21 LEU A 10 -7.637 -10.540 1.807 1.00 72.13 H new ATOM 0 HD22 LEU A 10 -6.377 -10.592 0.551 1.00 72.13 H new ATOM 0 HD23 LEU A 10 -6.677 -12.020 1.570 1.00 72.13 H new ATOM 146 N GLY A 11 -3.363 -12.488 4.550 1.00 43.44 N ATOM 147 CA GLY A 11 -2.905 -13.669 5.258 1.00 51.23 C ATOM 148 C GLY A 11 -2.068 -14.581 4.383 1.00 31.11 C ATOM 149 O GLY A 11 -0.847 -14.436 4.310 1.00 73.11 O ATOM 0 H GLY A 11 -4.361 -12.297 4.636 1.00 43.44 H new ATOM 0 HA2 GLY A 11 -2.319 -13.365 6.125 1.00 51.23 H new ATOM 0 HA3 GLY A 11 -3.767 -14.221 5.633 1.00 51.23 H new ATOM 153 N THR A 12 -2.725 -15.527 3.718 1.00 44.42 N ATOM 154 CA THR A 12 -2.033 -16.468 2.846 1.00 32.13 C ATOM 155 C THR A 12 -1.399 -15.754 1.658 1.00 1.23 C ATOM 156 O THR A 12 -0.383 -16.199 1.123 1.00 20.40 O ATOM 157 CB THR A 12 -2.990 -17.557 2.325 1.00 65.41 C ATOM 158 OG1 THR A 12 -2.240 -18.634 1.751 1.00 24.04 O ATOM 159 CG2 THR A 12 -3.944 -16.988 1.286 1.00 1.43 C ATOM 0 H THR A 12 -3.735 -15.661 3.767 1.00 44.42 H new ATOM 0 HA THR A 12 -1.251 -16.936 3.443 1.00 32.13 H new ATOM 0 HB THR A 12 -3.574 -17.929 3.167 1.00 65.41 H new ATOM 0 HG1 THR A 12 -2.838 -19.389 1.569 1.00 24.04 H new ATOM 0 HG21 THR A 12 -4.610 -17.776 0.933 1.00 1.43 H new ATOM 0 HG22 THR A 12 -4.534 -16.188 1.733 1.00 1.43 H new ATOM 0 HG23 THR A 12 -3.373 -16.592 0.446 1.00 1.43 H new ATOM 167 N LEU A 13 -2.003 -14.643 1.250 1.00 31.35 N ATOM 168 CA LEU A 13 -1.496 -13.866 0.125 1.00 53.21 C ATOM 169 C LEU A 13 -0.155 -13.225 0.466 1.00 64.12 C ATOM 170 O LEU A 13 0.536 -12.703 -0.410 1.00 5.22 O ATOM 171 CB LEU A 13 -2.505 -12.785 -0.269 1.00 62.32 C ATOM 172 CG LEU A 13 -2.339 -12.190 -1.668 1.00 62.51 C ATOM 173 CD1 LEU A 13 -3.667 -11.659 -2.183 1.00 53.11 C ATOM 174 CD2 LEU A 13 -1.289 -11.089 -1.658 1.00 52.21 C ATOM 0 H LEU A 13 -2.844 -14.260 1.682 1.00 31.35 H new ATOM 0 HA LEU A 13 -1.350 -14.543 -0.716 1.00 53.21 H new ATOM 0 HB2 LEU A 13 -3.507 -13.206 -0.192 1.00 62.32 H new ATOM 0 HB3 LEU A 13 -2.442 -11.975 0.458 1.00 62.32 H new ATOM 0 HG LEU A 13 -2.002 -12.979 -2.340 1.00 62.51 H new ATOM 0 HD11 LEU A 13 -3.529 -11.239 -3.180 1.00 53.11 H new ATOM 0 HD12 LEU A 13 -4.391 -12.472 -2.229 1.00 53.11 H new ATOM 0 HD13 LEU A 13 -4.034 -10.884 -1.511 1.00 53.11 H new ATOM 0 HD21 LEU A 13 -1.184 -10.677 -2.662 1.00 52.21 H new ATOM 0 HD22 LEU A 13 -1.596 -10.300 -0.972 1.00 52.21 H new ATOM 0 HD23 LEU A 13 -0.333 -11.500 -1.333 1.00 52.21 H new ATOM 186 N LEU A 14 0.209 -13.271 1.743 1.00 42.44 N ATOM 187 CA LEU A 14 1.470 -12.697 2.200 1.00 41.52 C ATOM 188 C LEU A 14 2.615 -13.090 1.272 1.00 25.05 C ATOM 189 O LEU A 14 3.603 -12.365 1.146 1.00 32.42 O ATOM 190 CB LEU A 14 1.774 -13.155 3.627 1.00 11.22 C ATOM 191 CG LEU A 14 2.997 -12.520 4.290 1.00 61.12 C ATOM 192 CD1 LEU A 14 2.659 -11.135 4.819 1.00 42.25 C ATOM 193 CD2 LEU A 14 3.518 -13.408 5.411 1.00 74.35 C ATOM 0 H LEU A 14 -0.351 -13.700 2.480 1.00 42.44 H new ATOM 0 HA LEU A 14 1.373 -11.611 2.187 1.00 41.52 H new ATOM 0 HB2 LEU A 14 0.902 -12.949 4.247 1.00 11.22 H new ATOM 0 HB3 LEU A 14 1.911 -14.236 3.619 1.00 11.22 H new ATOM 0 HG LEU A 14 3.781 -12.419 3.539 1.00 61.12 H new ATOM 0 HD11 LEU A 14 3.541 -10.699 5.287 1.00 42.25 H new ATOM 0 HD12 LEU A 14 2.334 -10.500 3.995 1.00 42.25 H new ATOM 0 HD13 LEU A 14 1.858 -11.212 5.555 1.00 42.25 H new ATOM 0 HD21 LEU A 14 4.388 -12.940 5.871 1.00 74.35 H new ATOM 0 HD22 LEU A 14 2.739 -13.542 6.161 1.00 74.35 H new ATOM 0 HD23 LEU A 14 3.801 -14.379 5.004 1.00 74.35 H new ATOM 205 N PHE A 15 2.476 -14.241 0.624 1.00 71.51 N ATOM 206 CA PHE A 15 3.498 -14.731 -0.293 1.00 64.13 C ATOM 207 C PHE A 15 2.917 -15.764 -1.255 1.00 1.51 C ATOM 208 O PHE A 15 1.718 -16.043 -1.232 1.00 43.33 O ATOM 209 CB PHE A 15 4.663 -15.344 0.487 1.00 0.54 C ATOM 210 CG PHE A 15 5.469 -14.333 1.252 1.00 65.01 C ATOM 211 CD1 PHE A 15 6.212 -13.372 0.585 1.00 23.10 C ATOM 212 CD2 PHE A 15 5.484 -14.344 2.637 1.00 3.43 C ATOM 213 CE1 PHE A 15 6.956 -12.442 1.286 1.00 12.32 C ATOM 214 CE2 PHE A 15 6.226 -13.415 3.344 1.00 74.40 C ATOM 215 CZ PHE A 15 6.962 -12.463 2.667 1.00 15.53 C ATOM 0 H PHE A 15 1.665 -14.853 0.717 1.00 71.51 H new ATOM 0 HA PHE A 15 3.864 -13.884 -0.874 1.00 64.13 H new ATOM 0 HB2 PHE A 15 4.273 -16.088 1.182 1.00 0.54 H new ATOM 0 HB3 PHE A 15 5.319 -15.869 -0.207 1.00 0.54 H new ATOM 0 HD1 PHE A 15 6.210 -13.350 -0.495 1.00 23.10 H new ATOM 0 HD2 PHE A 15 4.910 -15.087 3.171 1.00 3.43 H new ATOM 0 HE1 PHE A 15 7.532 -11.699 0.754 1.00 12.32 H new ATOM 0 HE2 PHE A 15 6.230 -13.434 4.424 1.00 74.40 H new ATOM 0 HZ PHE A 15 7.541 -11.736 3.216 1.00 15.53 H new ATOM 225 N ARG A 16 3.776 -16.326 -2.099 1.00 34.41 N ATOM 226 CA ARG A 16 3.348 -17.326 -3.070 1.00 20.42 C ATOM 227 C ARG A 16 2.225 -16.785 -3.949 1.00 54.01 C ATOM 228 O ARG A 16 1.496 -17.548 -4.584 1.00 61.02 O ATOM 229 CB ARG A 16 2.883 -18.597 -2.355 1.00 4.52 C ATOM 230 CG ARG A 16 2.581 -19.750 -3.297 1.00 70.03 C ATOM 231 CD ARG A 16 2.485 -21.070 -2.549 1.00 30.31 C ATOM 232 NE ARG A 16 3.697 -21.872 -2.696 1.00 11.15 N ATOM 233 CZ ARG A 16 3.895 -23.026 -2.069 1.00 33.40 C ATOM 234 NH1 ARG A 16 2.965 -23.512 -1.258 1.00 21.01 N ATOM 235 NH2 ARG A 16 5.024 -23.698 -2.254 1.00 1.03 N ATOM 0 H ARG A 16 4.772 -16.106 -2.130 1.00 34.41 H new ATOM 0 HA ARG A 16 4.200 -17.566 -3.706 1.00 20.42 H new ATOM 0 HB2 ARG A 16 3.652 -18.908 -1.648 1.00 4.52 H new ATOM 0 HB3 ARG A 16 1.989 -18.370 -1.774 1.00 4.52 H new ATOM 0 HG2 ARG A 16 1.644 -19.558 -3.820 1.00 70.03 H new ATOM 0 HG3 ARG A 16 3.362 -19.816 -4.055 1.00 70.03 H new ATOM 0 HD2 ARG A 16 2.305 -20.875 -1.492 1.00 30.31 H new ATOM 0 HD3 ARG A 16 1.629 -21.635 -2.919 1.00 30.31 H new ATOM 0 HE ARG A 16 4.431 -21.527 -3.314 1.00 11.15 H new ATOM 0 HH11 ARG A 16 2.095 -22.999 -1.114 1.00 21.01 H new ATOM 0 HH12 ARG A 16 3.120 -24.398 -0.778 1.00 21.01 H new ATOM 0 HH21 ARG A 16 5.741 -23.328 -2.878 1.00 1.03 H new ATOM 0 HH22 ARG A 16 5.175 -24.584 -1.772 1.00 1.03 H new ATOM 249 N CYS A 17 2.090 -15.463 -3.981 1.00 34.43 N ATOM 250 CA CYS A 17 1.055 -14.819 -4.780 1.00 41.24 C ATOM 251 C CYS A 17 0.299 -15.844 -5.621 1.00 24.02 C ATOM 252 O CYS A 17 0.787 -16.292 -6.658 1.00 65.43 O ATOM 253 CB CYS A 17 1.673 -13.754 -5.689 1.00 12.01 C ATOM 254 SG CYS A 17 3.111 -14.335 -6.645 1.00 33.24 S ATOM 0 H CYS A 17 2.685 -14.817 -3.462 1.00 34.43 H new ATOM 0 HA CYS A 17 0.349 -14.343 -4.099 1.00 41.24 H new ATOM 0 HB2 CYS A 17 0.911 -13.396 -6.381 1.00 12.01 H new ATOM 0 HB3 CYS A 17 1.976 -12.903 -5.079 1.00 12.01 H new ATOM 259 N ARG A 18 -0.894 -16.210 -5.165 1.00 73.13 N ATOM 260 CA ARG A 18 -1.717 -17.183 -5.874 1.00 52.31 C ATOM 261 C ARG A 18 -2.041 -16.696 -7.284 1.00 33.24 C ATOM 262 O ARG A 18 -2.424 -17.483 -8.150 1.00 14.14 O ATOM 263 CB ARG A 18 -3.012 -17.445 -5.103 1.00 72.02 C ATOM 264 CG ARG A 18 -3.436 -16.288 -4.213 1.00 21.42 C ATOM 265 CD ARG A 18 -2.978 -16.494 -2.777 1.00 42.43 C ATOM 266 NE ARG A 18 -3.252 -17.848 -2.304 1.00 5.33 N ATOM 267 CZ ARG A 18 -2.534 -18.458 -1.367 1.00 11.42 C ATOM 268 NH1 ARG A 18 -1.505 -17.837 -0.806 1.00 14.01 N ATOM 269 NH2 ARG A 18 -2.845 -19.691 -0.989 1.00 15.22 N ATOM 0 H ARG A 18 -1.312 -15.848 -4.308 1.00 73.13 H new ATOM 0 HA ARG A 18 -1.153 -18.113 -5.950 1.00 52.31 H new ATOM 0 HB2 ARG A 18 -3.811 -17.658 -5.813 1.00 72.02 H new ATOM 0 HB3 ARG A 18 -2.885 -18.337 -4.489 1.00 72.02 H new ATOM 0 HG2 ARG A 18 -3.019 -15.358 -4.599 1.00 21.42 H new ATOM 0 HG3 ARG A 18 -4.521 -16.186 -4.239 1.00 21.42 H new ATOM 0 HD2 ARG A 18 -1.909 -16.294 -2.705 1.00 42.43 H new ATOM 0 HD3 ARG A 18 -3.480 -15.775 -2.130 1.00 42.43 H new ATOM 0 HE ARG A 18 -4.037 -18.353 -2.715 1.00 5.33 H new ATOM 0 HH11 ARG A 18 -1.263 -16.889 -1.094 1.00 14.01 H new ATOM 0 HH12 ARG A 18 -0.956 -18.308 -0.087 1.00 14.01 H new ATOM 0 HH21 ARG A 18 -3.636 -20.172 -1.418 1.00 15.22 H new ATOM 0 HH22 ARG A 18 -2.293 -20.158 -0.270 1.00 15.22 H new ATOM 283 N ARG A 19 -1.885 -15.395 -7.505 1.00 74.24 N ATOM 284 CA ARG A 19 -2.163 -14.804 -8.809 1.00 11.33 C ATOM 285 C ARG A 19 -1.997 -13.288 -8.764 1.00 43.52 C ATOM 286 O ARG A 19 -2.064 -12.677 -7.698 1.00 12.45 O ATOM 287 CB ARG A 19 -3.580 -15.159 -9.262 1.00 53.22 C ATOM 288 CG ARG A 19 -3.916 -14.661 -10.659 1.00 24.14 C ATOM 289 CD ARG A 19 -4.899 -15.586 -11.359 1.00 21.14 C ATOM 290 NE ARG A 19 -6.286 -15.225 -11.077 1.00 44.11 N ATOM 291 CZ ARG A 19 -7.324 -15.991 -11.395 1.00 5.40 C ATOM 292 NH1 ARG A 19 -7.132 -17.154 -12.001 1.00 72.13 N ATOM 293 NH2 ARG A 19 -8.556 -15.593 -11.106 1.00 30.12 N ATOM 0 H ARG A 19 -1.568 -14.730 -6.799 1.00 74.24 H new ATOM 0 HA ARG A 19 -1.448 -15.210 -9.524 1.00 11.33 H new ATOM 0 HB2 ARG A 19 -3.701 -16.242 -9.233 1.00 53.22 H new ATOM 0 HB3 ARG A 19 -4.295 -14.739 -8.554 1.00 53.22 H new ATOM 0 HG2 ARG A 19 -4.339 -13.658 -10.597 1.00 24.14 H new ATOM 0 HG3 ARG A 19 -3.003 -14.585 -11.249 1.00 24.14 H new ATOM 0 HD2 ARG A 19 -4.727 -15.551 -12.435 1.00 21.14 H new ATOM 0 HD3 ARG A 19 -4.720 -16.613 -11.041 1.00 21.14 H new ATOM 0 HE ARG A 19 -6.468 -14.336 -10.610 1.00 44.11 H new ATOM 0 HH11 ARG A 19 -6.186 -17.463 -12.224 1.00 72.13 H new ATOM 0 HH12 ARG A 19 -7.930 -17.740 -12.244 1.00 72.13 H new ATOM 0 HH21 ARG A 19 -8.707 -14.699 -10.639 1.00 30.12 H new ATOM 0 HH22 ARG A 19 -9.353 -16.181 -11.350 1.00 30.12 H new ATOM 307 N ASP A 20 -1.778 -12.687 -9.929 1.00 74.30 N ATOM 308 CA ASP A 20 -1.603 -11.243 -10.024 1.00 2.34 C ATOM 309 C ASP A 20 -2.738 -10.510 -9.315 1.00 44.31 C ATOM 310 O ASP A 20 -2.523 -9.476 -8.683 1.00 3.50 O ATOM 311 CB ASP A 20 -1.536 -10.810 -11.489 1.00 75.43 C ATOM 312 CG ASP A 20 -0.139 -10.929 -12.065 1.00 71.02 C ATOM 313 OD1 ASP A 20 0.509 -11.973 -11.841 1.00 74.35 O ATOM 314 OD2 ASP A 20 0.307 -9.978 -12.740 1.00 55.04 O ATOM 0 H ASP A 20 -1.718 -13.178 -10.821 1.00 74.30 H new ATOM 0 HA ASP A 20 -0.665 -10.983 -9.534 1.00 2.34 H new ATOM 0 HB2 ASP A 20 -2.221 -11.421 -12.077 1.00 75.43 H new ATOM 0 HB3 ASP A 20 -1.875 -9.778 -11.575 1.00 75.43 H new ATOM 319 N SER A 21 -3.946 -11.052 -9.426 1.00 60.11 N ATOM 320 CA SER A 21 -5.116 -10.447 -8.800 1.00 61.13 C ATOM 321 C SER A 21 -4.872 -10.204 -7.314 1.00 33.31 C ATOM 322 O SER A 21 -5.529 -9.367 -6.695 1.00 21.14 O ATOM 323 CB SER A 21 -6.342 -11.343 -8.988 1.00 63.11 C ATOM 324 OG SER A 21 -7.397 -10.638 -9.618 1.00 60.14 O ATOM 0 H SER A 21 -4.141 -11.909 -9.944 1.00 60.11 H new ATOM 0 HA SER A 21 -5.300 -9.487 -9.282 1.00 61.13 H new ATOM 0 HB2 SER A 21 -6.072 -12.212 -9.588 1.00 63.11 H new ATOM 0 HB3 SER A 21 -6.676 -11.715 -8.020 1.00 63.11 H new ATOM 0 HG SER A 21 -8.168 -11.233 -9.728 1.00 60.14 H new ATOM 330 N ASP A 22 -3.924 -10.943 -6.748 1.00 41.31 N ATOM 331 CA ASP A 22 -3.591 -10.808 -5.335 1.00 35.14 C ATOM 332 C ASP A 22 -3.490 -9.339 -4.938 1.00 2.33 C ATOM 333 O ASP A 22 -3.933 -8.944 -3.859 1.00 5.24 O ATOM 334 CB ASP A 22 -2.275 -11.524 -5.028 1.00 33.31 C ATOM 335 CG ASP A 22 -2.419 -13.033 -5.048 1.00 30.41 C ATOM 336 OD1 ASP A 22 -3.306 -13.535 -5.769 1.00 14.10 O ATOM 337 OD2 ASP A 22 -1.645 -13.713 -4.342 1.00 4.12 O ATOM 0 H ASP A 22 -3.373 -11.642 -7.246 1.00 41.31 H new ATOM 0 HA ASP A 22 -4.390 -11.268 -4.754 1.00 35.14 H new ATOM 0 HB2 ASP A 22 -1.523 -11.224 -5.757 1.00 33.31 H new ATOM 0 HB3 ASP A 22 -1.913 -11.209 -4.049 1.00 33.31 H new ATOM 342 N CYS A 23 -2.903 -8.533 -5.817 1.00 20.05 N ATOM 343 CA CYS A 23 -2.741 -7.107 -5.558 1.00 70.34 C ATOM 344 C CYS A 23 -3.506 -6.278 -6.586 1.00 64.23 C ATOM 345 O CYS A 23 -3.318 -6.416 -7.795 1.00 74.24 O ATOM 346 CB CYS A 23 -1.259 -6.729 -5.582 1.00 1.41 C ATOM 347 SG CYS A 23 -0.429 -6.874 -3.967 1.00 4.10 S ATOM 0 H CYS A 23 -2.532 -8.843 -6.715 1.00 20.05 H new ATOM 0 HA CYS A 23 -3.148 -6.893 -4.570 1.00 70.34 H new ATOM 0 HB2 CYS A 23 -0.744 -7.366 -6.302 1.00 1.41 H new ATOM 0 HB3 CYS A 23 -1.162 -5.703 -5.937 1.00 1.41 H new ATOM 352 N PRO A 24 -4.388 -5.395 -6.096 1.00 32.31 N ATOM 353 CA PRO A 24 -5.198 -4.526 -6.954 1.00 53.21 C ATOM 354 C PRO A 24 -4.363 -3.454 -7.647 1.00 33.40 C ATOM 355 O PRO A 24 -4.451 -3.273 -8.861 1.00 31.53 O ATOM 356 CB PRO A 24 -6.187 -3.884 -5.977 1.00 61.52 C ATOM 357 CG PRO A 24 -5.496 -3.926 -4.658 1.00 14.13 C ATOM 358 CD PRO A 24 -4.663 -5.177 -4.666 1.00 21.53 C ATOM 0 HA PRO A 24 -5.675 -5.081 -7.762 1.00 53.21 H new ATOM 0 HB2 PRO A 24 -6.423 -2.860 -6.268 1.00 61.52 H new ATOM 0 HB3 PRO A 24 -7.128 -4.433 -5.949 1.00 61.52 H new ATOM 0 HG2 PRO A 24 -4.873 -3.043 -4.516 1.00 14.13 H new ATOM 0 HG3 PRO A 24 -6.217 -3.942 -3.840 1.00 14.13 H new ATOM 0 HD2 PRO A 24 -3.743 -5.051 -4.095 1.00 21.53 H new ATOM 0 HD3 PRO A 24 -5.198 -6.019 -4.227 1.00 21.53 H new ATOM 366 N GLY A 25 -3.552 -2.746 -6.867 1.00 32.01 N ATOM 367 CA GLY A 25 -2.713 -1.701 -7.424 1.00 23.41 C ATOM 368 C GLY A 25 -1.642 -2.249 -8.347 1.00 0.52 C ATOM 369 O GLY A 25 -1.734 -3.385 -8.810 1.00 3.11 O ATOM 0 H GLY A 25 -3.461 -2.877 -5.860 1.00 32.01 H new ATOM 0 HA2 GLY A 25 -3.335 -0.994 -7.973 1.00 23.41 H new ATOM 0 HA3 GLY A 25 -2.241 -1.147 -6.613 1.00 23.41 H new ATOM 373 N ALA A 26 -0.624 -1.437 -8.616 1.00 73.42 N ATOM 374 CA ALA A 26 0.468 -1.847 -9.490 1.00 5.24 C ATOM 375 C ALA A 26 1.011 -3.214 -9.086 1.00 41.32 C ATOM 376 O ALA A 26 1.057 -4.139 -9.898 1.00 4.24 O ATOM 377 CB ALA A 26 1.580 -0.808 -9.467 1.00 11.00 C ATOM 0 H ALA A 26 -0.533 -0.493 -8.241 1.00 73.42 H new ATOM 0 HA ALA A 26 0.079 -1.925 -10.505 1.00 5.24 H new ATOM 0 HB1 ALA A 26 2.389 -1.127 -10.124 1.00 11.00 H new ATOM 0 HB2 ALA A 26 1.190 0.150 -9.810 1.00 11.00 H new ATOM 0 HB3 ALA A 26 1.958 -0.702 -8.450 1.00 11.00 H new ATOM 383 N CYS A 27 1.422 -3.334 -7.828 1.00 74.32 N ATOM 384 CA CYS A 27 1.962 -4.588 -7.317 1.00 5.33 C ATOM 385 C CYS A 27 1.298 -5.783 -7.993 1.00 35.32 C ATOM 386 O CYS A 27 0.080 -5.807 -8.177 1.00 63.11 O ATOM 387 CB CYS A 27 1.767 -4.671 -5.802 1.00 21.15 C ATOM 388 SG CYS A 27 0.393 -3.654 -5.172 1.00 30.31 S ATOM 0 H CYS A 27 1.391 -2.578 -7.144 1.00 74.32 H new ATOM 0 HA CYS A 27 3.028 -4.614 -7.542 1.00 5.33 H new ATOM 0 HB2 CYS A 27 1.592 -5.711 -5.525 1.00 21.15 H new ATOM 0 HB3 CYS A 27 2.689 -4.361 -5.310 1.00 21.15 H new ATOM 0 HG CYS A 27 0.865 -2.557 -4.658 1.00 30.31 H new ATOM 393 N ILE A 28 2.105 -6.773 -8.360 1.00 12.24 N ATOM 394 CA ILE A 28 1.595 -7.971 -9.014 1.00 31.54 C ATOM 395 C ILE A 28 2.382 -9.207 -8.588 1.00 55.33 C ATOM 396 O ILE A 28 3.451 -9.099 -7.988 1.00 1.22 O ATOM 397 CB ILE A 28 1.652 -7.843 -10.547 1.00 72.43 C ATOM 398 CG1 ILE A 28 3.014 -7.302 -10.985 1.00 40.45 C ATOM 399 CG2 ILE A 28 0.532 -6.942 -11.045 1.00 61.05 C ATOM 400 CD1 ILE A 28 3.102 -7.016 -12.468 1.00 42.13 C ATOM 0 H ILE A 28 3.115 -6.769 -8.215 1.00 12.24 H new ATOM 0 HA ILE A 28 0.555 -8.081 -8.706 1.00 31.54 H new ATOM 0 HB ILE A 28 1.518 -8.832 -10.985 1.00 72.43 H new ATOM 0 HG12 ILE A 28 3.227 -6.386 -10.433 1.00 40.45 H new ATOM 0 HG13 ILE A 28 3.786 -8.023 -10.716 1.00 40.45 H new ATOM 0 HG21 ILE A 28 0.586 -6.861 -12.131 1.00 61.05 H new ATOM 0 HG22 ILE A 28 -0.431 -7.367 -10.760 1.00 61.05 H new ATOM 0 HG23 ILE A 28 0.637 -5.952 -10.602 1.00 61.05 H new ATOM 0 HD11 ILE A 28 4.095 -6.635 -12.707 1.00 42.13 H new ATOM 0 HD12 ILE A 28 2.921 -7.934 -13.027 1.00 42.13 H new ATOM 0 HD13 ILE A 28 2.353 -6.272 -12.740 1.00 42.13 H new ATOM 412 N CYS A 29 1.846 -10.381 -8.905 1.00 54.30 N ATOM 413 CA CYS A 29 2.497 -11.638 -8.558 1.00 11.24 C ATOM 414 C CYS A 29 3.736 -11.865 -9.419 1.00 0.41 C ATOM 415 O CYS A 29 3.668 -11.816 -10.647 1.00 61.52 O ATOM 416 CB CYS A 29 1.523 -12.805 -8.728 1.00 71.35 C ATOM 417 SG CYS A 29 2.318 -14.444 -8.717 1.00 73.44 S ATOM 0 H CYS A 29 0.962 -10.488 -9.402 1.00 54.30 H new ATOM 0 HA CYS A 29 2.807 -11.582 -7.515 1.00 11.24 H new ATOM 0 HB2 CYS A 29 0.783 -12.766 -7.928 1.00 71.35 H new ATOM 0 HB3 CYS A 29 0.984 -12.681 -9.667 1.00 71.35 H new ATOM 422 N ARG A 30 4.867 -12.112 -8.766 1.00 34.23 N ATOM 423 CA ARG A 30 6.121 -12.346 -9.471 1.00 1.51 C ATOM 424 C ARG A 30 6.919 -13.464 -8.806 1.00 54.22 C ATOM 425 O ARG A 30 6.509 -14.008 -7.782 1.00 74.41 O ATOM 426 CB ARG A 30 6.955 -11.064 -9.510 1.00 10.40 C ATOM 427 CG ARG A 30 7.361 -10.559 -8.135 1.00 13.21 C ATOM 428 CD ARG A 30 6.348 -9.567 -7.584 1.00 72.23 C ATOM 429 NE ARG A 30 6.142 -8.437 -8.486 1.00 73.44 N ATOM 430 CZ ARG A 30 7.052 -7.495 -8.703 1.00 41.34 C ATOM 431 NH1 ARG A 30 8.225 -7.547 -8.087 1.00 52.50 N ATOM 432 NH2 ARG A 30 6.790 -6.498 -9.539 1.00 44.31 N ATOM 0 H ARG A 30 4.940 -12.155 -7.750 1.00 34.23 H new ATOM 0 HA ARG A 30 5.884 -12.649 -10.491 1.00 1.51 H new ATOM 0 HB2 ARG A 30 7.853 -11.243 -10.102 1.00 10.40 H new ATOM 0 HB3 ARG A 30 6.387 -10.286 -10.020 1.00 10.40 H new ATOM 0 HG2 ARG A 30 7.456 -11.402 -7.450 1.00 13.21 H new ATOM 0 HG3 ARG A 30 8.341 -10.085 -8.195 1.00 13.21 H new ATOM 0 HD2 ARG A 30 5.398 -10.075 -7.416 1.00 72.23 H new ATOM 0 HD3 ARG A 30 6.689 -9.200 -6.616 1.00 72.23 H new ATOM 0 HE ARG A 30 5.250 -8.368 -8.976 1.00 73.44 H new ATOM 0 HH11 ARG A 30 8.430 -8.312 -7.444 1.00 52.50 H new ATOM 0 HH12 ARG A 30 8.922 -6.822 -8.256 1.00 52.50 H new ATOM 0 HH21 ARG A 30 5.889 -6.455 -10.015 1.00 44.31 H new ATOM 0 HH22 ARG A 30 7.490 -5.775 -9.705 1.00 44.31 H new ATOM 446 N GLY A 31 8.061 -13.801 -9.397 1.00 71.33 N ATOM 447 CA GLY A 31 8.897 -14.853 -8.849 1.00 63.02 C ATOM 448 C GLY A 31 9.317 -14.574 -7.419 1.00 72.35 C ATOM 449 O GLY A 31 9.736 -15.480 -6.701 1.00 64.40 O ATOM 0 H GLY A 31 8.422 -13.364 -10.245 1.00 71.33 H new ATOM 0 HA2 GLY A 31 8.357 -15.799 -8.888 1.00 63.02 H new ATOM 0 HA3 GLY A 31 9.786 -14.967 -9.470 1.00 63.02 H new ATOM 453 N ASN A 32 9.205 -13.316 -7.006 1.00 73.11 N ATOM 454 CA ASN A 32 9.578 -12.920 -5.653 1.00 60.00 C ATOM 455 C ASN A 32 8.769 -13.694 -4.617 1.00 31.21 C ATOM 456 O ASN A 32 9.060 -13.644 -3.423 1.00 21.24 O ATOM 457 CB ASN A 32 9.366 -11.417 -5.463 1.00 3.24 C ATOM 458 CG ASN A 32 8.138 -11.107 -4.629 1.00 52.02 C ATOM 459 OD1 ASN A 32 7.059 -10.851 -5.165 1.00 21.24 O ATOM 460 ND2 ASN A 32 8.297 -11.128 -3.311 1.00 35.31 N ATOM 0 H ASN A 32 8.859 -12.554 -7.589 1.00 73.11 H new ATOM 0 HA ASN A 32 10.633 -13.152 -5.511 1.00 60.00 H new ATOM 0 HB2 ASN A 32 10.245 -10.987 -4.984 1.00 3.24 H new ATOM 0 HB3 ASN A 32 9.269 -10.940 -6.438 1.00 3.24 H new ATOM 0 HD21 ASN A 32 7.506 -10.927 -2.699 1.00 35.31 H new ATOM 0 HD22 ASN A 32 9.210 -11.345 -2.911 1.00 35.31 H new ATOM 467 N GLY A 33 7.751 -14.411 -5.084 1.00 12.23 N ATOM 468 CA GLY A 33 6.915 -15.186 -4.185 1.00 44.10 C ATOM 469 C GLY A 33 5.874 -14.336 -3.484 1.00 70.31 C ATOM 470 O GLY A 33 5.576 -14.551 -2.309 1.00 74.41 O ATOM 0 H GLY A 33 7.490 -14.469 -6.068 1.00 12.23 H new ATOM 0 HA2 GLY A 33 6.416 -15.975 -4.747 1.00 44.10 H new ATOM 0 HA3 GLY A 33 7.543 -15.674 -3.440 1.00 44.10 H new ATOM 474 N TYR A 34 5.321 -13.368 -4.205 1.00 54.50 N ATOM 475 CA TYR A 34 4.309 -12.480 -3.644 1.00 4.52 C ATOM 476 C TYR A 34 3.873 -11.436 -4.667 1.00 53.40 C ATOM 477 O TYR A 34 4.570 -11.183 -5.650 1.00 55.03 O ATOM 478 CB TYR A 34 4.847 -11.787 -2.390 1.00 65.33 C ATOM 479 CG TYR A 34 3.911 -10.742 -1.827 1.00 23.44 C ATOM 480 CD1 TYR A 34 2.718 -11.107 -1.216 1.00 31.22 C ATOM 481 CD2 TYR A 34 4.221 -9.390 -1.904 1.00 31.01 C ATOM 482 CE1 TYR A 34 1.859 -10.156 -0.700 1.00 44.22 C ATOM 483 CE2 TYR A 34 3.369 -8.432 -1.390 1.00 1.34 C ATOM 484 CZ TYR A 34 2.189 -8.819 -0.789 1.00 64.52 C ATOM 485 OH TYR A 34 1.338 -7.869 -0.275 1.00 55.35 O ATOM 0 H TYR A 34 5.556 -13.178 -5.179 1.00 54.50 H new ATOM 0 HA TYR A 34 3.442 -13.083 -3.375 1.00 4.52 H new ATOM 0 HB2 TYR A 34 5.041 -12.539 -1.625 1.00 65.33 H new ATOM 0 HB3 TYR A 34 5.802 -11.318 -2.626 1.00 65.33 H new ATOM 0 HD1 TYR A 34 2.457 -12.153 -1.143 1.00 31.22 H new ATOM 0 HD2 TYR A 34 5.144 -9.083 -2.374 1.00 31.01 H new ATOM 0 HE1 TYR A 34 0.935 -10.457 -0.230 1.00 44.22 H new ATOM 0 HE2 TYR A 34 3.625 -7.385 -1.458 1.00 1.34 H new ATOM 0 HH TYR A 34 1.718 -6.977 -0.418 1.00 55.35 H new ATOM 495 N CYS A 35 2.714 -10.831 -4.428 1.00 33.11 N ATOM 496 CA CYS A 35 2.182 -9.814 -5.327 1.00 15.05 C ATOM 497 C CYS A 35 2.961 -8.509 -5.193 1.00 54.30 C ATOM 498 O CYS A 35 2.420 -7.492 -4.759 1.00 60.24 O ATOM 499 CB CYS A 35 0.700 -9.569 -5.033 1.00 2.22 C ATOM 500 SG CYS A 35 0.384 -8.760 -3.431 1.00 54.05 S ATOM 0 H CYS A 35 2.125 -11.028 -3.619 1.00 33.11 H new ATOM 0 HA CYS A 35 2.288 -10.176 -6.350 1.00 15.05 H new ATOM 0 HB2 CYS A 35 0.280 -8.953 -5.828 1.00 2.22 H new ATOM 0 HB3 CYS A 35 0.173 -10.523 -5.056 1.00 2.22 H new ATOM 505 N GLY A 36 4.235 -8.545 -5.570 1.00 24.54 N ATOM 506 CA GLY A 36 5.068 -7.360 -5.485 1.00 25.23 C ATOM 507 C GLY A 36 4.568 -6.235 -6.368 1.00 54.02 C ATOM 508 O GLY A 36 4.701 -6.290 -7.591 1.00 22.34 O ATOM 0 H GLY A 36 4.705 -9.374 -5.933 1.00 24.54 H new ATOM 0 HA2 GLY A 36 5.103 -7.018 -4.451 1.00 25.23 H new ATOM 0 HA3 GLY A 36 6.088 -7.616 -5.771 1.00 25.23 H new