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 23 CYS SG : rot 149:sc= -23.8! USER MOD Set 1.2: A 35 CYS SG : rot -156:sc= -22.7! USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0.662 USER MOD Set 2.2: A 34 TYR OH : rot -120:sc= 1.04 USER MOD Single : A 5 ASN : amide:sc= -0.187 K(o=-0.19,f=-3.2!) USER MOD Single : A 12 THR OG1 : rot -140:sc= -0.722 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -5.26 K(o=-5.3,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 8 N CYS A 2 -2.918 -0.575 -3.318 1.00 51.22 N ATOM 9 CA CYS A 2 -2.006 -0.133 -4.367 1.00 32.45 C ATOM 10 C CYS A 2 -2.757 0.628 -5.455 1.00 60.13 C ATOM 11 O CYS A 2 -2.611 0.338 -6.643 1.00 64.11 O ATOM 12 CB CYS A 2 -1.279 -1.333 -4.977 1.00 4.11 C ATOM 13 SG CYS A 2 -0.451 -2.401 -3.755 1.00 40.10 S ATOM 0 HA CYS A 2 -1.273 0.538 -3.919 1.00 32.45 H new ATOM 0 HB2 CYS A 2 -1.996 -1.931 -5.540 1.00 4.11 H new ATOM 0 HB3 CYS A 2 -0.537 -0.971 -5.689 1.00 4.11 H new ATOM 18 N ILE A 3 -3.560 1.602 -5.042 1.00 10.34 N ATOM 19 CA ILE A 3 -4.332 2.406 -5.981 1.00 72.21 C ATOM 20 C ILE A 3 -5.392 1.564 -6.684 1.00 24.43 C ATOM 21 O ILE A 3 -5.757 1.834 -7.829 1.00 23.14 O ATOM 22 CB ILE A 3 -3.426 3.059 -7.041 1.00 64.22 C ATOM 23 CG1 ILE A 3 -2.144 3.586 -6.393 1.00 0.23 C ATOM 24 CG2 ILE A 3 -4.166 4.181 -7.753 1.00 12.12 C ATOM 25 CD1 ILE A 3 -1.215 4.278 -7.366 1.00 11.14 C ATOM 0 H ILE A 3 -3.693 1.854 -4.063 1.00 10.34 H new ATOM 0 HA ILE A 3 -4.819 3.189 -5.399 1.00 72.21 H new ATOM 0 HB ILE A 3 -3.154 2.305 -7.779 1.00 64.22 H new ATOM 0 HG12 ILE A 3 -2.409 4.283 -5.598 1.00 0.23 H new ATOM 0 HG13 ILE A 3 -1.615 2.755 -5.926 1.00 0.23 H new ATOM 0 HG21 ILE A 3 -3.512 4.632 -8.499 1.00 12.12 H new ATOM 0 HG22 ILE A 3 -5.052 3.778 -8.243 1.00 12.12 H new ATOM 0 HG23 ILE A 3 -4.465 4.938 -7.027 1.00 12.12 H new ATOM 0 HD11 ILE A 3 -0.328 4.626 -6.837 1.00 11.14 H new ATOM 0 HD12 ILE A 3 -0.921 3.578 -8.148 1.00 11.14 H new ATOM 0 HD13 ILE A 3 -1.727 5.129 -7.815 1.00 11.14 H new ATOM 37 N LEU A 4 -5.883 0.543 -5.990 1.00 72.33 N ATOM 38 CA LEU A 4 -6.903 -0.339 -6.546 1.00 75.35 C ATOM 39 C LEU A 4 -7.291 -1.423 -5.546 1.00 24.34 C ATOM 40 O LEU A 4 -7.076 -2.610 -5.788 1.00 32.25 O ATOM 41 CB LEU A 4 -6.401 -0.981 -7.841 1.00 44.40 C ATOM 42 CG LEU A 4 -7.419 -1.088 -8.976 1.00 72.34 C ATOM 43 CD1 LEU A 4 -6.760 -0.792 -10.315 1.00 13.55 C ATOM 44 CD2 LEU A 4 -8.059 -2.469 -8.989 1.00 52.25 C ATOM 0 H LEU A 4 -5.591 0.306 -5.042 1.00 72.33 H new ATOM 0 HA LEU A 4 -7.786 0.262 -6.764 1.00 75.35 H new ATOM 0 HB2 LEU A 4 -5.546 -0.407 -8.200 1.00 44.40 H new ATOM 0 HB3 LEU A 4 -6.038 -1.983 -7.610 1.00 44.40 H new ATOM 0 HG LEU A 4 -8.201 -0.348 -8.808 1.00 72.34 H new ATOM 0 HD11 LEU A 4 -7.500 -0.873 -11.111 1.00 13.55 H new ATOM 0 HD12 LEU A 4 -6.349 0.218 -10.303 1.00 13.55 H new ATOM 0 HD13 LEU A 4 -5.958 -1.508 -10.492 1.00 13.55 H new ATOM 0 HD21 LEU A 4 -8.781 -2.528 -9.803 1.00 52.25 H new ATOM 0 HD22 LEU A 4 -7.288 -3.226 -9.132 1.00 52.25 H new ATOM 0 HD23 LEU A 4 -8.567 -2.644 -8.040 1.00 52.25 H new ATOM 56 N ASN A 5 -7.864 -1.006 -4.421 1.00 60.05 N ATOM 57 CA ASN A 5 -8.283 -1.942 -3.384 1.00 41.32 C ATOM 58 C ASN A 5 -7.132 -2.248 -2.430 1.00 51.45 C ATOM 59 O ASN A 5 -5.997 -1.833 -2.658 1.00 4.42 O ATOM 60 CB ASN A 5 -8.796 -3.238 -4.015 1.00 20.04 C ATOM 61 CG ASN A 5 -9.885 -3.892 -3.187 1.00 13.14 C ATOM 62 OD1 ASN A 5 -10.354 -3.326 -2.199 1.00 10.20 O ATOM 63 ND2 ASN A 5 -10.293 -5.091 -3.587 1.00 13.42 N ATOM 0 H ASN A 5 -8.049 -0.026 -4.205 1.00 60.05 H new ATOM 0 HA ASN A 5 -9.089 -1.479 -2.815 1.00 41.32 H new ATOM 0 HB2 ASN A 5 -9.180 -3.026 -5.013 1.00 20.04 H new ATOM 0 HB3 ASN A 5 -7.966 -3.934 -4.134 1.00 20.04 H new ATOM 0 HD21 ASN A 5 -11.023 -5.580 -3.069 1.00 13.42 H new ATOM 0 HD22 ASN A 5 -9.876 -5.523 -4.412 1.00 13.42 H new ATOM 70 N GLY A 6 -7.435 -2.978 -1.361 1.00 42.12 N ATOM 71 CA GLY A 6 -6.416 -3.328 -0.389 1.00 44.41 C ATOM 72 C GLY A 6 -6.285 -4.826 -0.200 1.00 3.11 C ATOM 73 O GLY A 6 -6.714 -5.370 0.818 1.00 43.50 O ATOM 0 H GLY A 6 -8.368 -3.333 -1.151 1.00 42.12 H new ATOM 0 HA2 GLY A 6 -5.457 -2.920 -0.709 1.00 44.41 H new ATOM 0 HA3 GLY A 6 -6.656 -2.864 0.568 1.00 44.41 H new ATOM 77 N ARG A 7 -5.692 -5.495 -1.183 1.00 71.41 N ATOM 78 CA ARG A 7 -5.509 -6.940 -1.121 1.00 62.44 C ATOM 79 C ARG A 7 -4.081 -7.290 -0.712 1.00 32.43 C ATOM 80 O ARG A 7 -3.830 -8.352 -0.141 1.00 24.14 O ATOM 81 CB ARG A 7 -5.832 -7.575 -2.475 1.00 75.21 C ATOM 82 CG ARG A 7 -7.091 -7.020 -3.123 1.00 23.53 C ATOM 83 CD ARG A 7 -7.605 -7.940 -4.219 1.00 64.04 C ATOM 84 NE ARG A 7 -8.651 -8.837 -3.736 1.00 51.21 N ATOM 85 CZ ARG A 7 -9.400 -9.590 -4.534 1.00 65.20 C ATOM 86 NH1 ARG A 7 -9.218 -9.555 -5.847 1.00 25.31 N ATOM 87 NH2 ARG A 7 -10.332 -10.381 -4.019 1.00 31.21 N ATOM 0 H ARG A 7 -5.330 -5.060 -2.032 1.00 71.41 H new ATOM 0 HA ARG A 7 -6.192 -7.335 -0.369 1.00 62.44 H new ATOM 0 HB2 ARG A 7 -4.989 -7.422 -3.149 1.00 75.21 H new ATOM 0 HB3 ARG A 7 -5.945 -8.651 -2.344 1.00 75.21 H new ATOM 0 HG2 ARG A 7 -7.863 -6.888 -2.365 1.00 23.53 H new ATOM 0 HG3 ARG A 7 -6.883 -6.035 -3.541 1.00 23.53 H new ATOM 0 HD2 ARG A 7 -7.993 -7.341 -5.042 1.00 64.04 H new ATOM 0 HD3 ARG A 7 -6.778 -8.529 -4.616 1.00 64.04 H new ATOM 0 HE ARG A 7 -8.816 -8.888 -2.731 1.00 51.21 H new ATOM 0 HH11 ARG A 7 -8.501 -8.949 -6.247 1.00 25.31 H new ATOM 0 HH12 ARG A 7 -9.794 -10.134 -6.457 1.00 25.31 H new ATOM 0 HH21 ARG A 7 -10.474 -10.411 -3.009 1.00 31.21 H new ATOM 0 HH22 ARG A 7 -10.907 -10.959 -4.633 1.00 31.21 H new ATOM 101 N THR A 8 -3.148 -6.390 -1.008 1.00 35.42 N ATOM 102 CA THR A 8 -1.746 -6.604 -0.672 1.00 74.24 C ATOM 103 C THR A 8 -1.579 -6.930 0.807 1.00 24.22 C ATOM 104 O THR A 8 -2.376 -6.502 1.641 1.00 12.44 O ATOM 105 CB THR A 8 -0.892 -5.369 -1.014 1.00 53.33 C ATOM 106 OG1 THR A 8 0.498 -5.681 -0.875 1.00 2.42 O ATOM 107 CG2 THR A 8 -1.248 -4.198 -0.110 1.00 61.13 C ATOM 0 H THR A 8 -3.338 -5.506 -1.480 1.00 35.42 H new ATOM 0 HA THR A 8 -1.403 -7.450 -1.268 1.00 74.24 H new ATOM 0 HB THR A 8 -1.098 -5.086 -2.046 1.00 53.33 H new ATOM 0 HG1 THR A 8 1.034 -4.891 -1.096 1.00 2.42 H new ATOM 0 HG21 THR A 8 -0.632 -3.337 -0.370 1.00 61.13 H new ATOM 0 HG22 THR A 8 -2.300 -3.944 -0.241 1.00 61.13 H new ATOM 0 HG23 THR A 8 -1.067 -4.473 0.929 1.00 61.13 H new ATOM 115 N ASP A 9 -0.537 -7.690 1.126 1.00 4.12 N ATOM 116 CA ASP A 9 -0.263 -8.072 2.507 1.00 50.12 C ATOM 117 C ASP A 9 -1.486 -8.725 3.142 1.00 33.24 C ATOM 118 O ASP A 9 -2.194 -8.103 3.936 1.00 50.25 O ATOM 119 CB ASP A 9 0.159 -6.849 3.323 1.00 64.13 C ATOM 120 CG ASP A 9 0.340 -7.169 4.794 1.00 54.34 C ATOM 121 OD1 ASP A 9 0.554 -8.355 5.122 1.00 51.34 O ATOM 122 OD2 ASP A 9 0.267 -6.233 5.617 1.00 43.32 O ATOM 0 H ASP A 9 0.132 -8.054 0.447 1.00 4.12 H new ATOM 0 HA ASP A 9 0.552 -8.795 2.503 1.00 50.12 H new ATOM 0 HB2 ASP A 9 1.092 -6.453 2.923 1.00 64.13 H new ATOM 0 HB3 ASP A 9 -0.592 -6.066 3.214 1.00 64.13 H new ATOM 127 N LEU A 10 -1.730 -9.982 2.789 1.00 72.14 N ATOM 128 CA LEU A 10 -2.869 -10.720 3.324 1.00 70.34 C ATOM 129 C LEU A 10 -2.450 -12.116 3.774 1.00 31.03 C ATOM 130 O LEU A 10 -1.270 -12.462 3.740 1.00 32.43 O ATOM 131 CB LEU A 10 -3.975 -10.822 2.272 1.00 34.11 C ATOM 132 CG LEU A 10 -5.380 -10.433 2.736 1.00 63.24 C ATOM 133 CD1 LEU A 10 -5.428 -8.961 3.114 1.00 54.03 C ATOM 134 CD2 LEU A 10 -6.403 -10.742 1.653 1.00 53.34 C ATOM 0 H LEU A 10 -1.154 -10.512 2.134 1.00 72.14 H new ATOM 0 HA LEU A 10 -3.248 -10.177 4.190 1.00 70.34 H new ATOM 0 HB2 LEU A 10 -3.705 -10.189 1.427 1.00 34.11 H new ATOM 0 HB3 LEU A 10 -4.006 -11.848 1.905 1.00 34.11 H new ATOM 0 HG LEU A 10 -5.627 -11.022 3.619 1.00 63.24 H new ATOM 0 HD11 LEU A 10 -6.435 -8.702 3.442 1.00 54.03 H new ATOM 0 HD12 LEU A 10 -4.723 -8.770 3.923 1.00 54.03 H new ATOM 0 HD13 LEU A 10 -5.161 -8.354 2.249 1.00 54.03 H new ATOM 0 HD21 LEU A 10 -7.397 -10.459 2.000 1.00 53.34 H new ATOM 0 HD22 LEU A 10 -6.160 -10.180 0.752 1.00 53.34 H new ATOM 0 HD23 LEU A 10 -6.386 -11.809 1.431 1.00 53.34 H new ATOM 146 N GLY A 11 -3.427 -12.915 4.195 1.00 44.32 N ATOM 147 CA GLY A 11 -3.139 -14.264 4.644 1.00 33.41 C ATOM 148 C GLY A 11 -2.270 -15.028 3.665 1.00 22.55 C ATOM 149 O GLY A 11 -1.042 -14.973 3.739 1.00 43.21 O ATOM 0 H GLY A 11 -4.412 -12.652 4.233 1.00 44.32 H new ATOM 0 HA2 GLY A 11 -2.640 -14.223 5.612 1.00 33.41 H new ATOM 0 HA3 GLY A 11 -4.075 -14.802 4.791 1.00 33.41 H new ATOM 153 N THR A 12 -2.907 -15.747 2.746 1.00 42.22 N ATOM 154 CA THR A 12 -2.184 -16.528 1.750 1.00 2.12 C ATOM 155 C THR A 12 -1.412 -15.623 0.796 1.00 75.51 C ATOM 156 O THR A 12 -0.386 -16.020 0.242 1.00 52.32 O ATOM 157 CB THR A 12 -3.138 -17.420 0.935 1.00 75.32 C ATOM 158 OG1 THR A 12 -4.009 -16.608 0.140 1.00 55.10 O ATOM 159 CG2 THR A 12 -3.964 -18.310 1.852 1.00 25.12 C ATOM 0 H THR A 12 -3.923 -15.805 2.671 1.00 42.22 H new ATOM 0 HA THR A 12 -1.482 -17.161 2.293 1.00 2.12 H new ATOM 0 HB THR A 12 -2.537 -18.055 0.283 1.00 75.32 H new ATOM 0 HG1 THR A 12 -4.911 -16.992 0.146 1.00 55.10 H new ATOM 0 HG21 THR A 12 -4.630 -18.931 1.253 1.00 25.12 H new ATOM 0 HG22 THR A 12 -3.300 -18.948 2.435 1.00 25.12 H new ATOM 0 HG23 THR A 12 -4.555 -17.689 2.526 1.00 25.12 H new ATOM 167 N LEU A 13 -1.912 -14.407 0.608 1.00 4.22 N ATOM 168 CA LEU A 13 -1.268 -13.444 -0.280 1.00 31.54 C ATOM 169 C LEU A 13 0.045 -12.947 0.316 1.00 30.23 C ATOM 170 O LEU A 13 0.882 -12.378 -0.386 1.00 13.01 O ATOM 171 CB LEU A 13 -2.201 -12.262 -0.544 1.00 55.24 C ATOM 172 CG LEU A 13 -1.645 -11.155 -1.441 1.00 70.30 C ATOM 173 CD1 LEU A 13 -0.836 -10.161 -0.622 1.00 73.04 C ATOM 174 CD2 LEU A 13 -0.795 -11.748 -2.555 1.00 24.52 C ATOM 0 H LEU A 13 -2.761 -14.064 1.058 1.00 4.22 H new ATOM 0 HA LEU A 13 -1.051 -13.945 -1.223 1.00 31.54 H new ATOM 0 HB2 LEU A 13 -3.117 -12.642 -0.996 1.00 55.24 H new ATOM 0 HB3 LEU A 13 -2.477 -11.822 0.414 1.00 55.24 H new ATOM 0 HG LEU A 13 -2.483 -10.625 -1.894 1.00 70.30 H new ATOM 0 HD11 LEU A 13 -0.448 -9.381 -1.277 1.00 73.04 H new ATOM 0 HD12 LEU A 13 -1.474 -9.712 0.139 1.00 73.04 H new ATOM 0 HD13 LEU A 13 -0.005 -10.677 -0.141 1.00 73.04 H new ATOM 0 HD21 LEU A 13 -0.408 -10.946 -3.183 1.00 24.52 H new ATOM 0 HD22 LEU A 13 0.037 -12.303 -2.122 1.00 24.52 H new ATOM 0 HD23 LEU A 13 -1.404 -12.420 -3.159 1.00 24.52 H new ATOM 186 N LEU A 14 0.220 -13.167 1.615 1.00 63.55 N ATOM 187 CA LEU A 14 1.433 -12.744 2.305 1.00 3.14 C ATOM 188 C LEU A 14 2.675 -13.099 1.493 1.00 13.23 C ATOM 189 O LEU A 14 3.685 -12.398 1.546 1.00 4.42 O ATOM 190 CB LEU A 14 1.511 -13.395 3.687 1.00 34.24 C ATOM 191 CG LEU A 14 2.893 -13.424 4.339 1.00 4.15 C ATOM 192 CD1 LEU A 14 3.480 -12.023 4.408 1.00 2.43 C ATOM 193 CD2 LEU A 14 2.815 -14.040 5.729 1.00 62.13 C ATOM 0 H LEU A 14 -0.463 -13.636 2.211 1.00 63.55 H new ATOM 0 HA LEU A 14 1.395 -11.661 2.421 1.00 3.14 H new ATOM 0 HB2 LEU A 14 0.828 -12.868 4.354 1.00 34.24 H new ATOM 0 HB3 LEU A 14 1.149 -14.420 3.605 1.00 34.24 H new ATOM 0 HG LEU A 14 3.549 -14.042 3.726 1.00 4.15 H new ATOM 0 HD11 LEU A 14 4.464 -12.063 4.875 1.00 2.43 H new ATOM 0 HD12 LEU A 14 3.573 -11.617 3.401 1.00 2.43 H new ATOM 0 HD13 LEU A 14 2.824 -11.382 4.998 1.00 2.43 H new ATOM 0 HD21 LEU A 14 3.808 -14.052 6.178 1.00 62.13 H new ATOM 0 HD22 LEU A 14 2.143 -13.449 6.351 1.00 62.13 H new ATOM 0 HD23 LEU A 14 2.438 -15.060 5.654 1.00 62.13 H new ATOM 205 N PHE A 15 2.591 -14.191 0.741 1.00 52.34 N ATOM 206 CA PHE A 15 3.707 -14.638 -0.084 1.00 70.33 C ATOM 207 C PHE A 15 3.244 -15.663 -1.116 1.00 24.45 C ATOM 208 O PHE A 15 2.065 -16.013 -1.174 1.00 2.53 O ATOM 209 CB PHE A 15 4.807 -15.241 0.792 1.00 1.42 C ATOM 210 CG PHE A 15 5.803 -14.229 1.284 1.00 72.21 C ATOM 211 CD1 PHE A 15 6.563 -13.494 0.389 1.00 54.34 C ATOM 212 CD2 PHE A 15 5.978 -14.014 2.641 1.00 5.32 C ATOM 213 CE1 PHE A 15 7.480 -12.563 0.839 1.00 60.14 C ATOM 214 CE2 PHE A 15 6.894 -13.084 3.097 1.00 22.01 C ATOM 215 CZ PHE A 15 7.645 -12.357 2.194 1.00 21.14 C ATOM 0 H PHE A 15 1.762 -14.783 0.686 1.00 52.34 H new ATOM 0 HA PHE A 15 4.106 -13.772 -0.612 1.00 70.33 H new ATOM 0 HB2 PHE A 15 4.349 -15.734 1.649 1.00 1.42 H new ATOM 0 HB3 PHE A 15 5.332 -16.010 0.225 1.00 1.42 H new ATOM 0 HD1 PHE A 15 6.438 -13.650 -0.672 1.00 54.34 H new ATOM 0 HD2 PHE A 15 5.392 -14.579 3.351 1.00 5.32 H new ATOM 0 HE1 PHE A 15 8.067 -11.997 0.131 1.00 60.14 H new ATOM 0 HE2 PHE A 15 7.022 -12.926 4.158 1.00 22.01 H new ATOM 0 HZ PHE A 15 8.360 -11.629 2.547 1.00 21.14 H new ATOM 225 N ARG A 16 4.182 -16.141 -1.928 1.00 34.23 N ATOM 226 CA ARG A 16 3.871 -17.125 -2.958 1.00 53.41 C ATOM 227 C ARG A 16 2.638 -16.707 -3.754 1.00 52.22 C ATOM 228 O ARG A 16 1.944 -17.545 -4.330 1.00 33.31 O ATOM 229 CB ARG A 16 3.642 -18.500 -2.328 1.00 43.13 C ATOM 230 CG ARG A 16 3.504 -19.620 -3.346 1.00 30.41 C ATOM 231 CD ARG A 16 2.207 -20.390 -3.154 1.00 33.21 C ATOM 232 NE ARG A 16 2.392 -21.575 -2.320 1.00 75.03 N ATOM 233 CZ ARG A 16 2.900 -22.717 -2.769 1.00 72.30 C ATOM 234 NH1 ARG A 16 3.272 -22.828 -4.037 1.00 23.34 N ATOM 235 NH2 ARG A 16 3.037 -23.751 -1.949 1.00 31.41 N ATOM 0 H ARG A 16 5.163 -15.863 -1.892 1.00 34.23 H new ATOM 0 HA ARG A 16 4.720 -17.182 -3.639 1.00 53.41 H new ATOM 0 HB2 ARG A 16 4.473 -18.727 -1.660 1.00 43.13 H new ATOM 0 HB3 ARG A 16 2.741 -18.464 -1.715 1.00 43.13 H new ATOM 0 HG2 ARG A 16 3.536 -19.204 -4.353 1.00 30.41 H new ATOM 0 HG3 ARG A 16 4.350 -20.302 -3.256 1.00 30.41 H new ATOM 0 HD2 ARG A 16 1.463 -19.738 -2.697 1.00 33.21 H new ATOM 0 HD3 ARG A 16 1.815 -20.689 -4.126 1.00 33.21 H new ATOM 0 HE ARG A 16 2.116 -21.522 -1.339 1.00 75.03 H new ATOM 0 HH11 ARG A 16 3.168 -22.035 -4.670 1.00 23.34 H new ATOM 0 HH12 ARG A 16 3.662 -23.706 -4.379 1.00 23.34 H new ATOM 0 HH21 ARG A 16 2.752 -23.669 -0.973 1.00 31.41 H new ATOM 0 HH22 ARG A 16 3.427 -24.628 -2.295 1.00 31.41 H new ATOM 249 N CYS A 17 2.371 -15.405 -3.782 1.00 31.31 N ATOM 250 CA CYS A 17 1.222 -14.875 -4.506 1.00 31.13 C ATOM 251 C CYS A 17 0.588 -15.951 -5.383 1.00 41.22 C ATOM 252 O CYS A 17 1.129 -16.312 -6.428 1.00 64.50 O ATOM 253 CB CYS A 17 1.641 -13.681 -5.366 1.00 21.40 C ATOM 254 SG CYS A 17 3.068 -14.010 -6.449 1.00 64.21 S ATOM 0 H CYS A 17 2.935 -14.698 -3.311 1.00 31.31 H new ATOM 0 HA CYS A 17 0.484 -14.546 -3.775 1.00 31.13 H new ATOM 0 HB2 CYS A 17 0.795 -13.375 -5.981 1.00 21.40 H new ATOM 0 HB3 CYS A 17 1.880 -12.842 -4.712 1.00 21.40 H new ATOM 259 N ARG A 18 -0.562 -16.457 -4.951 1.00 21.42 N ATOM 260 CA ARG A 18 -1.269 -17.492 -5.696 1.00 12.02 C ATOM 261 C ARG A 18 -1.668 -16.989 -7.080 1.00 41.30 C ATOM 262 O ARG A 18 -2.026 -17.774 -7.958 1.00 24.43 O ATOM 263 CB ARG A 18 -2.513 -17.944 -4.928 1.00 2.52 C ATOM 264 CG ARG A 18 -3.144 -16.844 -4.090 1.00 2.42 C ATOM 265 CD ARG A 18 -2.742 -16.958 -2.627 1.00 54.45 C ATOM 266 NE ARG A 18 -2.890 -18.321 -2.124 1.00 40.41 N ATOM 267 CZ ARG A 18 -4.065 -18.890 -1.878 1.00 4.14 C ATOM 268 NH1 ARG A 18 -5.188 -18.218 -2.088 1.00 1.44 N ATOM 269 NH2 ARG A 18 -4.117 -20.134 -1.421 1.00 31.54 N ATOM 0 H ARG A 18 -1.024 -16.167 -4.089 1.00 21.42 H new ATOM 0 HA ARG A 18 -0.596 -18.341 -5.817 1.00 12.02 H new ATOM 0 HB2 ARG A 18 -3.252 -18.318 -5.637 1.00 2.52 H new ATOM 0 HB3 ARG A 18 -2.246 -18.777 -4.277 1.00 2.52 H new ATOM 0 HG2 ARG A 18 -2.841 -15.871 -4.477 1.00 2.42 H new ATOM 0 HG3 ARG A 18 -4.229 -16.897 -4.175 1.00 2.42 H new ATOM 0 HD2 ARG A 18 -1.706 -16.639 -2.510 1.00 54.45 H new ATOM 0 HD3 ARG A 18 -3.354 -16.282 -2.029 1.00 54.45 H new ATOM 0 HE ARG A 18 -2.045 -18.866 -1.952 1.00 40.41 H new ATOM 0 HH11 ARG A 18 -5.152 -17.261 -2.439 1.00 1.44 H new ATOM 0 HH12 ARG A 18 -6.089 -18.658 -1.898 1.00 1.44 H new ATOM 0 HH21 ARG A 18 -3.255 -20.654 -1.258 1.00 31.54 H new ATOM 0 HH22 ARG A 18 -5.019 -20.571 -1.232 1.00 31.54 H new ATOM 283 N ARG A 19 -1.604 -15.674 -7.267 1.00 72.52 N ATOM 284 CA ARG A 19 -1.960 -15.066 -8.543 1.00 71.45 C ATOM 285 C ARG A 19 -2.170 -13.563 -8.390 1.00 10.24 C ATOM 286 O ARG A 19 -2.645 -13.095 -7.355 1.00 1.05 O ATOM 287 CB ARG A 19 -3.227 -15.714 -9.106 1.00 20.05 C ATOM 288 CG ARG A 19 -3.773 -15.013 -10.339 1.00 35.52 C ATOM 289 CD ARG A 19 -4.185 -16.011 -11.410 1.00 23.40 C ATOM 290 NE ARG A 19 -5.367 -15.570 -12.144 1.00 55.01 N ATOM 291 CZ ARG A 19 -6.603 -15.647 -11.662 1.00 61.41 C ATOM 292 NH1 ARG A 19 -6.816 -16.146 -10.452 1.00 70.13 N ATOM 293 NH2 ARG A 19 -7.628 -15.225 -12.391 1.00 13.13 N ATOM 0 H ARG A 19 -1.309 -15.010 -6.551 1.00 72.52 H new ATOM 0 HA ARG A 19 -1.136 -15.231 -9.237 1.00 71.45 H new ATOM 0 HB2 ARG A 19 -3.014 -16.754 -9.354 1.00 20.05 H new ATOM 0 HB3 ARG A 19 -3.995 -15.722 -8.333 1.00 20.05 H new ATOM 0 HG2 ARG A 19 -4.631 -14.401 -10.061 1.00 35.52 H new ATOM 0 HG3 ARG A 19 -3.017 -14.338 -10.740 1.00 35.52 H new ATOM 0 HD2 ARG A 19 -3.359 -16.157 -12.107 1.00 23.40 H new ATOM 0 HD3 ARG A 19 -4.386 -16.977 -10.947 1.00 23.40 H new ATOM 0 HE ARG A 19 -5.237 -15.181 -13.078 1.00 55.01 H new ATOM 0 HH11 ARG A 19 -6.030 -16.472 -9.889 1.00 70.13 H new ATOM 0 HH12 ARG A 19 -7.766 -16.204 -10.084 1.00 70.13 H new ATOM 0 HH21 ARG A 19 -7.468 -14.841 -13.322 1.00 13.13 H new ATOM 0 HH22 ARG A 19 -8.576 -15.285 -12.020 1.00 13.13 H new ATOM 307 N ASP A 20 -1.813 -12.812 -9.425 1.00 45.14 N ATOM 308 CA ASP A 20 -1.962 -11.361 -9.406 1.00 60.40 C ATOM 309 C ASP A 20 -3.340 -10.964 -8.886 1.00 2.03 C ATOM 310 O ASP A 20 -3.523 -9.866 -8.360 1.00 41.14 O ATOM 311 CB ASP A 20 -1.747 -10.786 -10.807 1.00 22.32 C ATOM 312 CG ASP A 20 -2.830 -11.210 -11.779 1.00 63.44 C ATOM 313 OD1 ASP A 20 -2.716 -12.317 -12.347 1.00 55.43 O ATOM 314 OD2 ASP A 20 -3.790 -10.436 -11.973 1.00 51.43 O ATOM 0 H ASP A 20 -1.418 -13.184 -10.289 1.00 45.14 H new ATOM 0 HA ASP A 20 -1.207 -10.952 -8.734 1.00 60.40 H new ATOM 0 HB2 ASP A 20 -1.720 -9.698 -10.750 1.00 22.32 H new ATOM 0 HB3 ASP A 20 -0.777 -11.110 -11.185 1.00 22.32 H new ATOM 319 N SER A 21 -4.306 -11.864 -9.036 1.00 70.24 N ATOM 320 CA SER A 21 -5.669 -11.606 -8.586 1.00 43.32 C ATOM 321 C SER A 21 -5.695 -11.274 -7.097 1.00 52.44 C ATOM 322 O SER A 21 -6.585 -10.567 -6.624 1.00 1.25 O ATOM 323 CB SER A 21 -6.559 -12.818 -8.866 1.00 13.22 C ATOM 324 OG SER A 21 -7.851 -12.641 -8.310 1.00 24.14 O ATOM 0 H SER A 21 -4.170 -12.779 -9.466 1.00 70.24 H new ATOM 0 HA SER A 21 -6.052 -10.748 -9.139 1.00 43.32 H new ATOM 0 HB2 SER A 21 -6.641 -12.972 -9.942 1.00 13.22 H new ATOM 0 HB3 SER A 21 -6.100 -13.714 -8.449 1.00 13.22 H new ATOM 0 HG SER A 21 -8.401 -13.428 -8.504 1.00 24.14 H new ATOM 330 N ASP A 22 -4.714 -11.789 -6.365 1.00 44.24 N ATOM 331 CA ASP A 22 -4.622 -11.547 -4.930 1.00 72.02 C ATOM 332 C ASP A 22 -4.065 -10.155 -4.648 1.00 31.21 C ATOM 333 O ASP A 22 -3.886 -9.769 -3.492 1.00 53.05 O ATOM 334 CB ASP A 22 -3.740 -12.607 -4.268 1.00 55.10 C ATOM 335 CG ASP A 22 -2.369 -12.700 -4.907 1.00 23.13 C ATOM 336 OD1 ASP A 22 -1.871 -11.665 -5.399 1.00 34.41 O ATOM 337 OD2 ASP A 22 -1.792 -13.808 -4.914 1.00 10.43 O ATOM 0 H ASP A 22 -3.971 -12.377 -6.742 1.00 44.24 H new ATOM 0 HA ASP A 22 -5.626 -11.608 -4.511 1.00 72.02 H new ATOM 0 HB2 ASP A 22 -3.629 -12.374 -3.209 1.00 55.10 H new ATOM 0 HB3 ASP A 22 -4.233 -13.577 -4.331 1.00 55.10 H new ATOM 342 N CYS A 23 -3.791 -9.406 -5.711 1.00 34.31 N ATOM 343 CA CYS A 23 -3.253 -8.058 -5.579 1.00 1.01 C ATOM 344 C CYS A 23 -4.289 -7.016 -5.989 1.00 52.24 C ATOM 345 O CYS A 23 -5.102 -7.233 -6.888 1.00 52.12 O ATOM 346 CB CYS A 23 -1.993 -7.904 -6.432 1.00 44.24 C ATOM 347 SG CYS A 23 -0.448 -7.819 -5.470 1.00 14.23 S ATOM 0 H CYS A 23 -3.933 -9.711 -6.674 1.00 34.31 H new ATOM 0 HA CYS A 23 -2.997 -7.897 -4.532 1.00 1.01 H new ATOM 0 HB2 CYS A 23 -1.931 -8.744 -7.124 1.00 44.24 H new ATOM 0 HB3 CYS A 23 -2.083 -7.000 -7.034 1.00 44.24 H new ATOM 0 HG CYS A 23 0.524 -8.334 -6.163 1.00 14.23 H new ATOM 352 N PRO A 24 -4.261 -5.856 -5.316 1.00 63.12 N ATOM 353 CA PRO A 24 -5.190 -4.757 -5.594 1.00 2.33 C ATOM 354 C PRO A 24 -4.919 -4.095 -6.940 1.00 42.53 C ATOM 355 O PRO A 24 -5.565 -4.408 -7.939 1.00 35.53 O ATOM 356 CB PRO A 24 -4.926 -3.773 -4.451 1.00 52.42 C ATOM 357 CG PRO A 24 -3.527 -4.054 -4.024 1.00 41.13 C ATOM 358 CD PRO A 24 -3.319 -5.528 -4.233 1.00 21.53 C ATOM 0 HA PRO A 24 -6.223 -5.100 -5.650 1.00 2.33 H new ATOM 0 HB2 PRO A 24 -5.039 -2.741 -4.783 1.00 52.42 H new ATOM 0 HB3 PRO A 24 -5.628 -3.922 -3.630 1.00 52.42 H new ATOM 0 HG2 PRO A 24 -2.816 -3.472 -4.610 1.00 41.13 H new ATOM 0 HG3 PRO A 24 -3.376 -3.783 -2.979 1.00 41.13 H new ATOM 0 HD2 PRO A 24 -2.290 -5.753 -4.514 1.00 21.53 H new ATOM 0 HD3 PRO A 24 -3.534 -6.096 -3.328 1.00 21.53 H new ATOM 366 N GLY A 25 -3.957 -3.176 -6.960 1.00 75.14 N ATOM 367 CA GLY A 25 -3.618 -2.485 -8.190 1.00 41.52 C ATOM 368 C GLY A 25 -2.148 -2.609 -8.538 1.00 41.34 C ATOM 369 O GLY A 25 -1.696 -3.663 -8.983 1.00 65.13 O ATOM 0 H GLY A 25 -3.407 -2.899 -6.147 1.00 75.14 H new ATOM 0 HA2 GLY A 25 -4.217 -2.888 -9.007 1.00 41.52 H new ATOM 0 HA3 GLY A 25 -3.878 -1.431 -8.094 1.00 41.52 H new ATOM 373 N ALA A 26 -1.400 -1.528 -8.337 1.00 74.51 N ATOM 374 CA ALA A 26 0.027 -1.521 -8.632 1.00 70.34 C ATOM 375 C ALA A 26 0.651 -2.885 -8.358 1.00 23.14 C ATOM 376 O ALA A 26 0.876 -3.673 -9.277 1.00 4.02 O ATOM 377 CB ALA A 26 0.729 -0.444 -7.819 1.00 52.22 C ATOM 0 H ALA A 26 -1.759 -0.646 -7.971 1.00 74.51 H new ATOM 0 HA ALA A 26 0.152 -1.300 -9.692 1.00 70.34 H new ATOM 0 HB1 ALA A 26 1.794 -0.450 -8.050 1.00 52.22 H new ATOM 0 HB2 ALA A 26 0.310 0.531 -8.068 1.00 52.22 H new ATOM 0 HB3 ALA A 26 0.587 -0.640 -6.756 1.00 52.22 H new ATOM 383 N CYS A 27 0.930 -3.158 -7.087 1.00 51.03 N ATOM 384 CA CYS A 27 1.530 -4.426 -6.691 1.00 33.22 C ATOM 385 C CYS A 27 0.866 -5.593 -7.417 1.00 52.52 C ATOM 386 O CYS A 27 -0.350 -5.605 -7.612 1.00 10.52 O ATOM 387 CB CYS A 27 1.411 -4.619 -5.178 1.00 20.43 C ATOM 388 SG CYS A 27 -0.174 -4.057 -4.478 1.00 75.44 S ATOM 0 H CYS A 27 0.750 -2.517 -6.314 1.00 51.03 H new ATOM 0 HA CYS A 27 2.584 -4.402 -6.967 1.00 33.22 H new ATOM 0 HB2 CYS A 27 1.544 -5.676 -4.946 1.00 20.43 H new ATOM 0 HB3 CYS A 27 2.223 -4.081 -4.689 1.00 20.43 H new ATOM 393 N ILE A 28 1.672 -6.571 -7.815 1.00 44.50 N ATOM 394 CA ILE A 28 1.163 -7.741 -8.518 1.00 64.42 C ATOM 395 C ILE A 28 2.017 -8.971 -8.228 1.00 63.13 C ATOM 396 O ILE A 28 3.153 -8.857 -7.767 1.00 64.12 O ATOM 397 CB ILE A 28 1.118 -7.509 -10.040 1.00 4.20 C ATOM 398 CG1 ILE A 28 2.442 -6.916 -10.527 1.00 24.04 C ATOM 399 CG2 ILE A 28 -0.042 -6.594 -10.402 1.00 34.41 C ATOM 400 CD1 ILE A 28 2.463 -6.619 -12.010 1.00 33.13 C ATOM 0 H ILE A 28 2.681 -6.576 -7.662 1.00 44.50 H new ATOM 0 HA ILE A 28 0.149 -7.911 -8.155 1.00 64.42 H new ATOM 0 HB ILE A 28 0.967 -8.469 -10.534 1.00 4.20 H new ATOM 0 HG12 ILE A 28 2.642 -5.996 -9.978 1.00 24.04 H new ATOM 0 HG13 ILE A 28 3.249 -7.610 -10.292 1.00 24.04 H new ATOM 0 HG21 ILE A 28 -0.061 -6.439 -11.481 1.00 34.41 H new ATOM 0 HG22 ILE A 28 -0.979 -7.052 -10.085 1.00 34.41 H new ATOM 0 HG23 ILE A 28 0.081 -5.634 -9.900 1.00 34.41 H new ATOM 0 HD11 ILE A 28 3.432 -6.201 -12.284 1.00 33.13 H new ATOM 0 HD12 ILE A 28 2.294 -7.540 -12.568 1.00 33.13 H new ATOM 0 HD13 ILE A 28 1.678 -5.901 -12.249 1.00 33.13 H new ATOM 412 N CYS A 29 1.463 -10.147 -8.503 1.00 65.41 N ATOM 413 CA CYS A 29 2.174 -11.400 -8.274 1.00 14.23 C ATOM 414 C CYS A 29 3.287 -11.590 -9.300 1.00 13.20 C ATOM 415 O CYS A 29 3.029 -11.682 -10.500 1.00 43.23 O ATOM 416 CB CYS A 29 1.202 -12.580 -8.335 1.00 13.24 C ATOM 417 SG CYS A 29 2.014 -14.207 -8.447 1.00 53.31 S ATOM 0 H CYS A 29 0.524 -10.259 -8.885 1.00 65.41 H new ATOM 0 HA CYS A 29 2.623 -11.358 -7.282 1.00 14.23 H new ATOM 0 HB2 CYS A 29 0.569 -12.562 -7.448 1.00 13.24 H new ATOM 0 HB3 CYS A 29 0.547 -12.453 -9.197 1.00 13.24 H new ATOM 422 N ARG A 30 4.524 -11.648 -8.819 1.00 1.04 N ATOM 423 CA ARG A 30 5.677 -11.826 -9.693 1.00 73.15 C ATOM 424 C ARG A 30 6.564 -12.965 -9.199 1.00 74.01 C ATOM 425 O ARG A 30 6.296 -13.568 -8.160 1.00 43.34 O ATOM 426 CB ARG A 30 6.488 -10.532 -9.774 1.00 11.45 C ATOM 427 CG ARG A 30 7.072 -10.095 -8.440 1.00 21.42 C ATOM 428 CD ARG A 30 6.111 -9.197 -7.678 1.00 12.13 C ATOM 429 NE ARG A 30 5.753 -8.005 -8.442 1.00 5.32 N ATOM 430 CZ ARG A 30 6.596 -7.007 -8.683 1.00 42.33 C ATOM 431 NH1 ARG A 30 7.839 -7.058 -8.223 1.00 54.42 N ATOM 432 NH2 ARG A 30 6.197 -5.955 -9.387 1.00 13.01 N ATOM 0 H ARG A 30 4.754 -11.574 -7.828 1.00 1.04 H new ATOM 0 HA ARG A 30 5.310 -12.079 -10.688 1.00 73.15 H new ATOM 0 HB2 ARG A 30 7.299 -10.666 -10.490 1.00 11.45 H new ATOM 0 HB3 ARG A 30 5.850 -9.737 -10.160 1.00 11.45 H new ATOM 0 HG2 ARG A 30 7.305 -10.974 -7.838 1.00 21.42 H new ATOM 0 HG3 ARG A 30 8.010 -9.566 -8.608 1.00 21.42 H new ATOM 0 HD2 ARG A 30 5.208 -9.756 -7.435 1.00 12.13 H new ATOM 0 HD3 ARG A 30 6.565 -8.899 -6.733 1.00 12.13 H new ATOM 0 HE ARG A 30 4.804 -7.935 -8.810 1.00 5.32 H new ATOM 0 HH11 ARG A 30 8.150 -7.865 -7.683 1.00 54.42 H new ATOM 0 HH12 ARG A 30 8.484 -6.290 -8.410 1.00 54.42 H new ATOM 0 HH21 ARG A 30 5.242 -5.912 -9.744 1.00 13.01 H new ATOM 0 HH22 ARG A 30 6.845 -5.189 -9.571 1.00 13.01 H new ATOM 446 N GLY A 31 7.621 -13.255 -9.952 1.00 11.43 N ATOM 447 CA GLY A 31 8.531 -14.321 -9.574 1.00 55.43 C ATOM 448 C GLY A 31 9.125 -14.115 -8.195 1.00 54.31 C ATOM 449 O GLY A 31 9.617 -15.057 -7.577 1.00 65.43 O ATOM 0 H GLY A 31 7.863 -12.771 -10.817 1.00 11.43 H new ATOM 0 HA2 GLY A 31 8.001 -15.273 -9.599 1.00 55.43 H new ATOM 0 HA3 GLY A 31 9.335 -14.385 -10.307 1.00 55.43 H new ATOM 453 N ASN A 32 9.079 -12.877 -7.712 1.00 25.43 N ATOM 454 CA ASN A 32 9.620 -12.550 -6.397 1.00 72.22 C ATOM 455 C ASN A 32 9.013 -13.445 -5.321 1.00 74.42 C ATOM 456 O ASN A 32 9.522 -13.524 -4.204 1.00 63.53 O ATOM 457 CB ASN A 32 9.353 -11.081 -6.064 1.00 51.13 C ATOM 458 CG ASN A 32 8.217 -10.910 -5.074 1.00 42.50 C ATOM 459 OD1 ASN A 32 7.082 -10.628 -5.457 1.00 53.14 O ATOM 460 ND2 ASN A 32 8.520 -11.079 -3.792 1.00 54.11 N ATOM 0 H ASN A 32 8.673 -12.085 -8.211 1.00 25.43 H new ATOM 0 HA ASN A 32 10.696 -12.721 -6.422 1.00 72.22 H new ATOM 0 HB2 ASN A 32 10.259 -10.634 -5.654 1.00 51.13 H new ATOM 0 HB3 ASN A 32 9.117 -10.541 -6.981 1.00 51.13 H new ATOM 0 HD21 ASN A 32 7.798 -10.976 -3.079 1.00 54.11 H new ATOM 0 HD22 ASN A 32 9.475 -11.312 -3.520 1.00 54.11 H new ATOM 467 N GLY A 33 7.920 -14.119 -5.667 1.00 33.31 N ATOM 468 CA GLY A 33 7.261 -15.000 -4.720 1.00 60.34 C ATOM 469 C GLY A 33 6.237 -14.276 -3.869 1.00 42.34 C ATOM 470 O GLY A 33 6.039 -14.614 -2.702 1.00 51.41 O ATOM 0 H GLY A 33 7.479 -14.071 -6.586 1.00 33.31 H new ATOM 0 HA2 GLY A 33 6.771 -15.809 -5.262 1.00 60.34 H new ATOM 0 HA3 GLY A 33 8.009 -15.457 -4.072 1.00 60.34 H new ATOM 474 N TYR A 34 5.586 -13.276 -4.453 1.00 43.22 N ATOM 475 CA TYR A 34 4.580 -12.498 -3.739 1.00 62.54 C ATOM 476 C TYR A 34 4.047 -11.366 -4.611 1.00 72.04 C ATOM 477 O TYR A 34 4.644 -11.017 -5.630 1.00 51.32 O ATOM 478 CB TYR A 34 5.168 -11.929 -2.447 1.00 51.32 C ATOM 479 CG TYR A 34 4.348 -10.806 -1.853 1.00 2.22 C ATOM 480 CD1 TYR A 34 3.285 -11.072 -0.999 1.00 52.23 C ATOM 481 CD2 TYR A 34 4.638 -9.478 -2.144 1.00 61.40 C ATOM 482 CE1 TYR A 34 2.533 -10.049 -0.455 1.00 32.03 C ATOM 483 CE2 TYR A 34 3.892 -8.449 -1.603 1.00 25.02 C ATOM 484 CZ TYR A 34 2.841 -8.739 -0.759 1.00 74.41 C ATOM 485 OH TYR A 34 2.095 -7.718 -0.217 1.00 51.45 O ATOM 0 H TYR A 34 5.737 -12.985 -5.419 1.00 43.22 H new ATOM 0 HA TYR A 34 3.752 -13.162 -3.492 1.00 62.54 H new ATOM 0 HB2 TYR A 34 5.256 -12.731 -1.714 1.00 51.32 H new ATOM 0 HB3 TYR A 34 6.176 -11.566 -2.645 1.00 51.32 H new ATOM 0 HD1 TYR A 34 3.042 -12.096 -0.756 1.00 52.23 H new ATOM 0 HD2 TYR A 34 5.461 -9.247 -2.804 1.00 61.40 H new ATOM 0 HE1 TYR A 34 1.708 -10.273 0.205 1.00 32.03 H new ATOM 0 HE2 TYR A 34 4.131 -7.423 -1.840 1.00 25.02 H new ATOM 0 HH TYR A 34 1.689 -7.192 -0.937 1.00 51.45 H new ATOM 495 N CYS A 35 2.918 -10.795 -4.204 1.00 23.35 N ATOM 496 CA CYS A 35 2.302 -9.702 -4.945 1.00 41.13 C ATOM 497 C CYS A 35 3.104 -8.414 -4.782 1.00 11.11 C ATOM 498 O CYS A 35 2.666 -7.478 -4.113 1.00 65.43 O ATOM 499 CB CYS A 35 0.864 -9.484 -4.472 1.00 14.30 C ATOM 500 SG CYS A 35 0.035 -8.057 -5.245 1.00 20.24 S ATOM 0 H CYS A 35 2.411 -11.072 -3.364 1.00 23.35 H new ATOM 0 HA CYS A 35 2.293 -9.972 -6.001 1.00 41.13 H new ATOM 0 HB2 CYS A 35 0.284 -10.383 -4.679 1.00 14.30 H new ATOM 0 HB3 CYS A 35 0.865 -9.348 -3.391 1.00 14.30 H new ATOM 0 HG CYS A 35 -0.924 -7.641 -4.472 1.00 20.24 H new ATOM 505 N GLY A 36 4.281 -8.374 -5.399 1.00 3.24 N ATOM 506 CA GLY A 36 5.126 -7.197 -5.310 1.00 14.24 C ATOM 507 C GLY A 36 4.509 -5.989 -5.987 1.00 3.22 C ATOM 508 O GLY A 36 4.331 -5.975 -7.205 1.00 32.44 O ATOM 0 H GLY A 36 4.665 -9.135 -5.959 1.00 3.24 H new ATOM 0 HA2 GLY A 36 5.313 -6.966 -4.261 1.00 14.24 H new ATOM 0 HA3 GLY A 36 6.092 -7.412 -5.766 1.00 14.24 H new