USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 259 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 10 SER OG : rot 180:sc= 0.428 USER MOD Set 1.2: A 27 LYS NZ :NH3+ 169:sc= 0.458 (180deg=-0.0235) USER MOD Single : A 1 VAL N :NH3+ 150:sc= -2.45! (180deg=-3.29!) USER MOD Single : A 5 GLN : amide:sc= 0.115 X(o=0.12,f=-0.076) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.105 USER MOD Single : A 18 LYS NZ :NH3+ 168:sc= -0.0317 (180deg=-0.279) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 62:sc= 1.82 USER MOD Single : A 29 THR OG1 : rot -160:sc= -0.269 USER MOD Single : A 30 ASN : amide:sc= -0.836 K(o=-0.84,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.857 -7.010 5.451 1.00 1.00 N ATOM 2 CA VAL A 1 3.174 -6.746 6.883 1.00 1.00 C ATOM 3 C VAL A 1 3.472 -5.240 7.046 1.00 1.00 C ATOM 4 O VAL A 1 3.691 -4.540 6.078 1.00 1.00 O ATOM 5 CB VAL A 1 4.431 -7.528 7.332 1.00 1.00 C ATOM 6 CG1 VAL A 1 4.601 -7.517 8.872 1.00 1.00 C ATOM 7 CG2 VAL A 1 4.405 -8.998 6.841 1.00 1.00 C ATOM 0 H1 VAL A 1 3.145 -7.978 5.205 1.00 1.00 H new ATOM 0 H2 VAL A 1 1.834 -6.903 5.296 1.00 1.00 H new ATOM 0 H3 VAL A 1 3.370 -6.333 4.851 1.00 1.00 H new ATOM 0 HA VAL A 1 2.324 -7.060 7.489 1.00 1.00 H new ATOM 0 HB VAL A 1 5.278 -7.015 6.877 1.00 1.00 H new ATOM 0 HG11 VAL A 1 5.496 -8.077 9.143 1.00 1.00 H new ATOM 0 HG12 VAL A 1 4.698 -6.489 9.220 1.00 1.00 H new ATOM 0 HG13 VAL A 1 3.729 -7.977 9.338 1.00 1.00 H new ATOM 0 HG21 VAL A 1 5.306 -9.510 7.178 1.00 1.00 H new ATOM 0 HG22 VAL A 1 3.528 -9.502 7.247 1.00 1.00 H new ATOM 0 HG23 VAL A 1 4.363 -9.017 5.752 1.00 1.00 H new ATOM 19 N VAL A 2 3.460 -4.791 8.274 1.00 1.00 N ATOM 20 CA VAL A 2 3.744 -3.360 8.583 1.00 1.00 C ATOM 21 C VAL A 2 5.238 -3.102 8.354 1.00 1.00 C ATOM 22 O VAL A 2 6.064 -3.717 8.996 1.00 1.00 O ATOM 23 CB VAL A 2 3.302 -3.101 10.060 1.00 1.00 C ATOM 24 CG1 VAL A 2 3.958 -4.082 11.069 1.00 1.00 C ATOM 25 CG2 VAL A 2 3.622 -1.649 10.497 1.00 1.00 C ATOM 0 H VAL A 2 3.261 -5.368 9.091 1.00 1.00 H new ATOM 0 HA VAL A 2 3.195 -2.674 7.938 1.00 1.00 H new ATOM 0 HB VAL A 2 2.225 -3.266 10.075 1.00 1.00 H new ATOM 0 HG11 VAL A 2 3.613 -3.852 12.077 1.00 1.00 H new ATOM 0 HG12 VAL A 2 3.681 -5.105 10.815 1.00 1.00 H new ATOM 0 HG13 VAL A 2 5.042 -3.978 11.025 1.00 1.00 H new ATOM 0 HG21 VAL A 2 3.303 -1.501 11.529 1.00 1.00 H new ATOM 0 HG22 VAL A 2 4.695 -1.474 10.421 1.00 1.00 H new ATOM 0 HG23 VAL A 2 3.094 -0.949 9.849 1.00 1.00 H new ATOM 35 N ILE A 3 5.539 -2.210 7.442 1.00 1.00 N ATOM 36 CA ILE A 3 6.985 -1.908 7.162 1.00 1.00 C ATOM 37 C ILE A 3 7.311 -0.425 7.006 1.00 1.00 C ATOM 38 O ILE A 3 6.453 0.412 6.816 1.00 1.00 O ATOM 39 CB ILE A 3 7.451 -2.656 5.856 1.00 1.00 C ATOM 40 CG1 ILE A 3 6.811 -2.072 4.565 1.00 1.00 C ATOM 41 CG2 ILE A 3 7.004 -4.111 5.978 1.00 1.00 C ATOM 42 CD1 ILE A 3 7.483 -2.668 3.305 1.00 1.00 C ATOM 0 H ILE A 3 4.863 -1.685 6.887 1.00 1.00 H new ATOM 0 HA ILE A 3 7.521 -2.258 8.044 1.00 1.00 H new ATOM 0 HB ILE A 3 8.532 -2.545 5.771 1.00 1.00 H new ATOM 0 HG12 ILE A 3 5.743 -2.290 4.552 1.00 1.00 H new ATOM 0 HG13 ILE A 3 6.915 -0.987 4.560 1.00 1.00 H new ATOM 0 HG21 ILE A 3 7.310 -4.662 5.089 1.00 1.00 H new ATOM 0 HG22 ILE A 3 7.463 -4.560 6.859 1.00 1.00 H new ATOM 0 HG23 ILE A 3 5.919 -4.151 6.074 1.00 1.00 H new ATOM 0 HD11 ILE A 3 7.021 -2.247 2.412 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.546 -2.427 3.311 1.00 1.00 H new ATOM 0 HD13 ILE A 3 7.356 -3.751 3.303 1.00 1.00 H new ATOM 54 N GLY A 4 8.592 -0.193 7.095 1.00 1.00 N ATOM 55 CA GLY A 4 9.168 1.164 6.976 1.00 1.00 C ATOM 56 C GLY A 4 8.740 1.859 5.682 1.00 1.00 C ATOM 57 O GLY A 4 8.402 3.025 5.733 1.00 1.00 O ATOM 0 H GLY A 4 9.286 -0.924 7.252 1.00 1.00 H new ATOM 0 HA2 GLY A 4 8.857 1.766 7.830 1.00 1.00 H new ATOM 0 HA3 GLY A 4 10.256 1.100 7.010 1.00 1.00 H new ATOM 61 N GLN A 5 8.773 1.112 4.592 1.00 1.00 N ATOM 62 CA GLN A 5 8.390 1.622 3.229 1.00 1.00 C ATOM 63 C GLN A 5 7.578 2.919 3.252 1.00 1.00 C ATOM 64 O GLN A 5 6.364 2.890 3.338 1.00 1.00 O ATOM 65 CB GLN A 5 7.590 0.525 2.469 1.00 1.00 C ATOM 66 CG GLN A 5 7.111 0.996 1.070 1.00 1.00 C ATOM 67 CD GLN A 5 8.291 1.526 0.245 1.00 1.00 C ATOM 68 OE1 GLN A 5 9.210 0.805 -0.087 1.00 1.00 O ATOM 69 NE2 GLN A 5 8.303 2.786 -0.089 1.00 1.00 N ATOM 0 H GLN A 5 9.061 0.134 4.596 1.00 1.00 H new ATOM 0 HA GLN A 5 9.324 1.854 2.718 1.00 1.00 H new ATOM 0 HB2 GLN A 5 8.214 -0.361 2.356 1.00 1.00 H new ATOM 0 HB3 GLN A 5 6.726 0.232 3.065 1.00 1.00 H new ATOM 0 HG2 GLN A 5 6.636 0.168 0.544 1.00 1.00 H new ATOM 0 HG3 GLN A 5 6.358 1.777 1.181 1.00 1.00 H new ATOM 0 HE21 GLN A 5 7.533 3.394 0.188 1.00 1.00 H new ATOM 0 HE22 GLN A 5 9.083 3.163 -0.628 1.00 1.00 H new ATOM 78 N ARG A 6 8.304 4.011 3.194 1.00 1.00 N ATOM 79 CA ARG A 6 7.676 5.364 3.208 1.00 1.00 C ATOM 80 C ARG A 6 6.398 5.395 2.360 1.00 1.00 C ATOM 81 O ARG A 6 6.361 4.855 1.271 1.00 1.00 O ATOM 82 CB ARG A 6 8.707 6.392 2.672 1.00 1.00 C ATOM 83 CG ARG A 6 9.024 6.112 1.190 1.00 1.00 C ATOM 84 CD ARG A 6 10.179 7.011 0.706 1.00 1.00 C ATOM 85 NE ARG A 6 11.399 6.688 1.507 1.00 1.00 N ATOM 86 CZ ARG A 6 12.460 6.213 0.914 1.00 1.00 C ATOM 87 NH1 ARG A 6 12.521 4.933 0.660 1.00 1.00 N ATOM 88 NH2 ARG A 6 13.426 7.032 0.594 1.00 1.00 N ATOM 0 H ARG A 6 9.322 4.018 3.137 1.00 1.00 H new ATOM 0 HA ARG A 6 7.392 5.616 4.230 1.00 1.00 H new ATOM 0 HB2 ARG A 6 8.313 7.402 2.782 1.00 1.00 H new ATOM 0 HB3 ARG A 6 9.622 6.341 3.262 1.00 1.00 H new ATOM 0 HG2 ARG A 6 9.293 5.064 1.061 1.00 1.00 H new ATOM 0 HG3 ARG A 6 8.137 6.291 0.582 1.00 1.00 H new ATOM 0 HD2 ARG A 6 10.368 6.847 -0.355 1.00 1.00 H new ATOM 0 HD3 ARG A 6 9.916 8.062 0.824 1.00 1.00 H new ATOM 0 HE ARG A 6 11.402 6.839 2.516 1.00 1.00 H new ATOM 0 HH11 ARG A 6 11.747 4.323 0.925 1.00 1.00 H new ATOM 0 HH12 ARG A 6 13.342 4.543 0.197 1.00 1.00 H new ATOM 0 HH21 ARG A 6 13.344 8.026 0.808 1.00 1.00 H new ATOM 0 HH22 ARG A 6 14.262 6.678 0.130 1.00 1.00 H new ATOM 102 N CYS A 7 5.393 6.024 2.902 1.00 1.00 N ATOM 103 CA CYS A 7 4.093 6.131 2.194 1.00 1.00 C ATOM 104 C CYS A 7 3.651 7.568 1.903 1.00 1.00 C ATOM 105 O CYS A 7 4.098 8.510 2.528 1.00 1.00 O ATOM 106 CB CYS A 7 3.020 5.440 3.037 1.00 1.00 C ATOM 107 SG CYS A 7 1.326 5.771 2.500 1.00 1.00 S ATOM 0 H CYS A 7 5.420 6.473 3.817 1.00 1.00 H new ATOM 0 HA CYS A 7 4.225 5.651 1.224 1.00 1.00 H new ATOM 0 HB2 CYS A 7 3.193 4.364 3.013 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.129 5.757 4.074 1.00 1.00 H new ATOM 112 N TYR A 8 2.766 7.662 0.937 1.00 1.00 N ATOM 113 CA TYR A 8 2.192 8.962 0.490 1.00 1.00 C ATOM 114 C TYR A 8 0.682 8.838 0.704 1.00 1.00 C ATOM 115 O TYR A 8 0.095 9.556 1.486 1.00 1.00 O ATOM 116 CB TYR A 8 2.522 9.148 -0.983 1.00 1.00 C ATOM 117 CG TYR A 8 2.306 10.610 -1.425 1.00 1.00 C ATOM 118 CD1 TYR A 8 2.943 11.650 -0.768 1.00 1.00 C ATOM 119 CD2 TYR A 8 1.475 10.911 -2.488 1.00 1.00 C ATOM 120 CE1 TYR A 8 2.749 12.957 -1.165 1.00 1.00 C ATOM 121 CE2 TYR A 8 1.281 12.218 -2.883 1.00 1.00 C ATOM 122 CZ TYR A 8 1.917 13.251 -2.226 1.00 1.00 C ATOM 123 OH TYR A 8 1.726 14.560 -2.619 1.00 1.00 O ATOM 0 H TYR A 8 2.408 6.856 0.424 1.00 1.00 H new ATOM 0 HA TYR A 8 2.588 9.819 1.035 1.00 1.00 H new ATOM 0 HB2 TYR A 8 3.557 8.860 -1.165 1.00 1.00 H new ATOM 0 HB3 TYR A 8 1.897 8.488 -1.584 1.00 1.00 H new ATOM 0 HD1 TYR A 8 3.598 11.436 0.063 1.00 1.00 H new ATOM 0 HD2 TYR A 8 0.972 10.114 -3.015 1.00 1.00 H new ATOM 0 HE1 TYR A 8 3.252 13.756 -0.641 1.00 1.00 H new ATOM 0 HE2 TYR A 8 0.626 12.435 -3.714 1.00 1.00 H new ATOM 0 HH TYR A 8 1.111 14.586 -3.382 1.00 1.00 H new ATOM 133 N ARG A 9 0.127 7.903 -0.018 1.00 1.00 N ATOM 134 CA ARG A 9 -1.339 7.615 0.037 1.00 1.00 C ATOM 135 C ARG A 9 -1.545 6.216 0.634 1.00 1.00 C ATOM 136 O ARG A 9 -0.625 5.421 0.655 1.00 1.00 O ATOM 137 CB ARG A 9 -1.957 7.617 -1.359 1.00 1.00 C ATOM 138 CG ARG A 9 -1.478 8.790 -2.250 1.00 1.00 C ATOM 139 CD ARG A 9 -2.104 10.156 -1.883 1.00 1.00 C ATOM 140 NE ARG A 9 -1.715 10.573 -0.503 1.00 1.00 N ATOM 141 CZ ARG A 9 -2.630 10.966 0.340 1.00 1.00 C ATOM 142 NH1 ARG A 9 -3.482 11.882 -0.024 1.00 1.00 N ATOM 143 NH2 ARG A 9 -2.671 10.440 1.533 1.00 1.00 N ATOM 0 H ARG A 9 0.644 7.307 -0.665 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.814 8.387 0.642 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -1.718 6.676 -1.854 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -3.042 7.662 -1.266 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -0.393 8.868 -2.178 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -1.713 8.562 -3.290 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -1.781 10.912 -2.599 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -3.190 10.093 -1.955 1.00 1.00 H new ATOM 0 HE ARG A 9 -0.735 10.551 -0.220 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -3.430 12.284 -0.960 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -4.202 12.197 0.627 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -1.991 9.728 1.800 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -3.383 10.741 2.199 1.00 1.00 H new ATOM 157 N SER A 10 -2.751 5.983 1.085 1.00 1.00 N ATOM 158 CA SER A 10 -3.153 4.674 1.708 1.00 1.00 C ATOM 159 C SER A 10 -2.307 3.451 1.299 1.00 1.00 C ATOM 160 O SER A 10 -1.730 2.822 2.166 1.00 1.00 O ATOM 161 CB SER A 10 -4.641 4.384 1.378 1.00 1.00 C ATOM 162 OG SER A 10 -5.371 5.372 2.095 1.00 1.00 O ATOM 0 H SER A 10 -3.505 6.669 1.048 1.00 1.00 H new ATOM 0 HA SER A 10 -2.981 4.805 2.776 1.00 1.00 H new ATOM 0 HB2 SER A 10 -4.829 4.453 0.307 1.00 1.00 H new ATOM 0 HB3 SER A 10 -4.926 3.379 1.688 1.00 1.00 H new ATOM 0 HG SER A 10 -6.330 5.252 1.932 1.00 1.00 H new ATOM 168 N PRO A 11 -2.250 3.130 0.024 1.00 1.00 N ATOM 169 CA PRO A 11 -1.395 2.019 -0.451 1.00 1.00 C ATOM 170 C PRO A 11 0.105 2.283 -0.298 1.00 1.00 C ATOM 171 O PRO A 11 0.650 2.018 0.751 1.00 1.00 O ATOM 172 CB PRO A 11 -1.848 1.828 -1.910 1.00 1.00 C ATOM 173 CG PRO A 11 -2.209 3.276 -2.327 1.00 1.00 C ATOM 174 CD PRO A 11 -2.979 3.769 -1.107 1.00 1.00 C ATOM 0 HA PRO A 11 -1.517 1.115 0.145 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -1.056 1.410 -2.532 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.703 1.156 -1.987 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.322 3.879 -2.522 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -2.816 3.302 -3.232 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.967 4.856 -1.033 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -4.025 3.463 -1.138 1.00 1.00 H new ATOM 182 N ASP A 12 0.710 2.796 -1.340 1.00 1.00 N ATOM 183 CA ASP A 12 2.176 3.118 -1.397 1.00 1.00 C ATOM 184 C ASP A 12 2.967 1.988 -0.691 1.00 1.00 C ATOM 185 O ASP A 12 3.992 2.181 -0.069 1.00 1.00 O ATOM 186 CB ASP A 12 2.363 4.487 -0.708 1.00 1.00 C ATOM 187 CG ASP A 12 3.661 5.183 -1.167 1.00 1.00 C ATOM 188 OD1 ASP A 12 4.722 4.605 -0.992 1.00 1.00 O ATOM 189 OD2 ASP A 12 3.518 6.282 -1.676 1.00 1.00 O ATOM 0 H ASP A 12 0.218 3.018 -2.205 1.00 1.00 H new ATOM 0 HA ASP A 12 2.550 3.180 -2.419 1.00 1.00 H new ATOM 0 HB2 ASP A 12 1.509 5.126 -0.931 1.00 1.00 H new ATOM 0 HB3 ASP A 12 2.386 4.350 0.373 1.00 1.00 H new ATOM 194 N CYS A 13 2.399 0.823 -0.852 1.00 1.00 N ATOM 195 CA CYS A 13 2.946 -0.431 -0.274 1.00 1.00 C ATOM 196 C CYS A 13 2.259 -1.695 -0.829 1.00 1.00 C ATOM 197 O CYS A 13 2.861 -2.749 -0.796 1.00 1.00 O ATOM 198 CB CYS A 13 2.768 -0.415 1.220 1.00 1.00 C ATOM 199 SG CYS A 13 3.560 -1.782 2.104 1.00 1.00 S ATOM 0 H CYS A 13 1.540 0.689 -1.385 1.00 1.00 H new ATOM 0 HA CYS A 13 4.000 -0.471 -0.550 1.00 1.00 H new ATOM 0 HB2 CYS A 13 3.163 0.524 1.607 1.00 1.00 H new ATOM 0 HB3 CYS A 13 1.701 -0.428 1.443 1.00 1.00 H new ATOM 204 N TYR A 14 1.043 -1.569 -1.306 1.00 1.00 N ATOM 205 CA TYR A 14 0.261 -2.718 -1.877 1.00 1.00 C ATOM 206 C TYR A 14 1.138 -3.656 -2.683 1.00 1.00 C ATOM 207 O TYR A 14 1.235 -4.823 -2.364 1.00 1.00 O ATOM 208 CB TYR A 14 -0.853 -2.128 -2.761 1.00 1.00 C ATOM 209 CG TYR A 14 -2.116 -1.745 -1.955 1.00 1.00 C ATOM 210 CD1 TYR A 14 -2.040 -1.179 -0.699 1.00 1.00 C ATOM 211 CD2 TYR A 14 -3.365 -1.969 -2.505 1.00 1.00 C ATOM 212 CE1 TYR A 14 -3.186 -0.844 -0.016 1.00 1.00 C ATOM 213 CE2 TYR A 14 -4.511 -1.632 -1.816 1.00 1.00 C ATOM 214 CZ TYR A 14 -4.427 -1.066 -0.565 1.00 1.00 C ATOM 215 OH TYR A 14 -5.571 -0.726 0.124 1.00 1.00 O ATOM 0 H TYR A 14 0.540 -0.682 -1.324 1.00 1.00 H new ATOM 0 HA TYR A 14 -0.159 -3.311 -1.064 1.00 1.00 H new ATOM 0 HB2 TYR A 14 -0.474 -1.245 -3.275 1.00 1.00 H new ATOM 0 HB3 TYR A 14 -1.123 -2.852 -3.529 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -1.075 -0.998 -0.249 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -3.444 -2.413 -3.486 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -3.110 -0.400 0.966 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -5.479 -1.813 -2.260 1.00 1.00 H new ATOM 0 HH TYR A 14 -6.357 -0.953 -0.415 1.00 1.00 H new ATOM 225 N SER A 15 1.741 -3.108 -3.700 1.00 1.00 N ATOM 226 CA SER A 15 2.646 -3.908 -4.583 1.00 1.00 C ATOM 227 C SER A 15 3.649 -4.743 -3.770 1.00 1.00 C ATOM 228 O SER A 15 3.899 -5.886 -4.087 1.00 1.00 O ATOM 229 CB SER A 15 3.391 -2.938 -5.522 1.00 1.00 C ATOM 230 OG SER A 15 4.090 -2.059 -4.652 1.00 1.00 O ATOM 0 H SER A 15 1.646 -2.127 -3.963 1.00 1.00 H new ATOM 0 HA SER A 15 2.045 -4.611 -5.160 1.00 1.00 H new ATOM 0 HB2 SER A 15 4.077 -3.472 -6.180 1.00 1.00 H new ATOM 0 HB3 SER A 15 2.696 -2.393 -6.161 1.00 1.00 H new ATOM 0 HG SER A 15 4.594 -1.407 -5.182 1.00 1.00 H new ATOM 236 N ALA A 16 4.189 -4.137 -2.742 1.00 1.00 N ATOM 237 CA ALA A 16 5.178 -4.844 -1.877 1.00 1.00 C ATOM 238 C ALA A 16 4.495 -5.940 -1.058 1.00 1.00 C ATOM 239 O ALA A 16 4.960 -7.063 -1.033 1.00 1.00 O ATOM 240 CB ALA A 16 5.846 -3.826 -0.935 1.00 1.00 C ATOM 0 H ALA A 16 3.985 -3.177 -2.465 1.00 1.00 H new ATOM 0 HA ALA A 16 5.932 -5.311 -2.511 1.00 1.00 H new ATOM 0 HB1 ALA A 16 6.570 -4.338 -0.301 1.00 1.00 H new ATOM 0 HB2 ALA A 16 6.355 -3.064 -1.525 1.00 1.00 H new ATOM 0 HB3 ALA A 16 5.086 -3.354 -0.311 1.00 1.00 H new ATOM 246 N CYS A 17 3.407 -5.589 -0.418 1.00 1.00 N ATOM 247 CA CYS A 17 2.663 -6.585 0.408 1.00 1.00 C ATOM 248 C CYS A 17 2.209 -7.728 -0.496 1.00 1.00 C ATOM 249 O CYS A 17 2.069 -8.847 -0.054 1.00 1.00 O ATOM 250 CB CYS A 17 1.411 -5.960 1.072 1.00 1.00 C ATOM 251 SG CYS A 17 0.861 -6.818 2.570 1.00 1.00 S ATOM 0 H CYS A 17 3.002 -4.653 -0.433 1.00 1.00 H new ATOM 0 HA CYS A 17 3.329 -6.938 1.195 1.00 1.00 H new ATOM 0 HB2 CYS A 17 1.625 -4.920 1.320 1.00 1.00 H new ATOM 0 HB3 CYS A 17 0.595 -5.954 0.350 1.00 1.00 H new ATOM 256 N LYS A 18 1.970 -7.421 -1.745 1.00 1.00 N ATOM 257 CA LYS A 18 1.541 -8.461 -2.702 1.00 1.00 C ATOM 258 C LYS A 18 2.753 -9.369 -2.964 1.00 1.00 C ATOM 259 O LYS A 18 2.684 -10.578 -2.885 1.00 1.00 O ATOM 260 CB LYS A 18 1.088 -7.780 -3.996 1.00 1.00 C ATOM 261 CG LYS A 18 0.474 -8.823 -4.959 1.00 1.00 C ATOM 262 CD LYS A 18 0.021 -8.154 -6.281 1.00 1.00 C ATOM 263 CE LYS A 18 1.213 -7.523 -7.039 1.00 1.00 C ATOM 264 NZ LYS A 18 2.255 -8.550 -7.329 1.00 1.00 N ATOM 0 H LYS A 18 2.057 -6.484 -2.138 1.00 1.00 H new ATOM 0 HA LYS A 18 0.712 -9.052 -2.313 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.355 -7.005 -3.771 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.936 -7.288 -4.473 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.206 -9.602 -5.173 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.377 -9.308 -4.482 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.464 -8.895 -6.917 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.721 -7.385 -6.065 1.00 1.00 H new ATOM 0 HE2 LYS A 18 0.864 -7.079 -7.971 1.00 1.00 H new ATOM 0 HE3 LYS A 18 1.644 -6.718 -6.444 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 2.944 -8.164 -8.006 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 2.743 -8.808 -6.448 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 1.806 -9.395 -7.736 1.00 1.00 H new ATOM 278 N LYS A 19 3.835 -8.707 -3.273 1.00 1.00 N ATOM 279 CA LYS A 19 5.132 -9.395 -3.569 1.00 1.00 C ATOM 280 C LYS A 19 5.794 -10.030 -2.330 1.00 1.00 C ATOM 281 O LYS A 19 6.710 -10.816 -2.471 1.00 1.00 O ATOM 282 CB LYS A 19 6.077 -8.360 -4.204 1.00 1.00 C ATOM 283 CG LYS A 19 5.521 -7.951 -5.592 1.00 1.00 C ATOM 284 CD LYS A 19 6.300 -6.746 -6.173 1.00 1.00 C ATOM 285 CE LYS A 19 7.771 -7.121 -6.444 1.00 1.00 C ATOM 286 NZ LYS A 19 8.478 -5.966 -7.055 1.00 1.00 N ATOM 0 H LYS A 19 3.878 -7.690 -3.335 1.00 1.00 H new ATOM 0 HA LYS A 19 4.928 -10.224 -4.247 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.163 -7.485 -3.560 1.00 1.00 H new ATOM 0 HB3 LYS A 19 7.078 -8.779 -4.308 1.00 1.00 H new ATOM 0 HG2 LYS A 19 5.589 -8.796 -6.277 1.00 1.00 H new ATOM 0 HG3 LYS A 19 4.465 -7.696 -5.503 1.00 1.00 H new ATOM 0 HD2 LYS A 19 5.828 -6.415 -7.098 1.00 1.00 H new ATOM 0 HD3 LYS A 19 6.256 -5.909 -5.476 1.00 1.00 H new ATOM 0 HE2 LYS A 19 8.260 -7.408 -5.513 1.00 1.00 H new ATOM 0 HE3 LYS A 19 7.820 -7.983 -7.109 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 9.469 -6.222 -7.236 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 8.017 -5.711 -7.952 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 8.444 -5.155 -6.405 1.00 1.00 H new ATOM 300 N LEU A 20 5.316 -9.674 -1.161 1.00 1.00 N ATOM 301 CA LEU A 20 5.881 -10.220 0.114 1.00 1.00 C ATOM 302 C LEU A 20 4.933 -11.184 0.835 1.00 1.00 C ATOM 303 O LEU A 20 5.347 -12.220 1.319 1.00 1.00 O ATOM 304 CB LEU A 20 6.202 -9.038 1.038 1.00 1.00 C ATOM 305 CG LEU A 20 7.370 -8.169 0.474 1.00 1.00 C ATOM 306 CD1 LEU A 20 7.480 -6.885 1.318 1.00 1.00 C ATOM 307 CD2 LEU A 20 8.705 -8.936 0.563 1.00 1.00 C ATOM 0 H LEU A 20 4.546 -9.017 -1.035 1.00 1.00 H new ATOM 0 HA LEU A 20 6.773 -10.794 -0.137 1.00 1.00 H new ATOM 0 HB2 LEU A 20 5.313 -8.419 1.160 1.00 1.00 H new ATOM 0 HB3 LEU A 20 6.469 -9.410 2.027 1.00 1.00 H new ATOM 0 HG LEU A 20 7.166 -7.931 -0.570 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.292 -6.267 0.936 1.00 1.00 H new ATOM 0 HD12 LEU A 20 6.544 -6.330 1.260 1.00 1.00 H new ATOM 0 HD13 LEU A 20 7.682 -7.148 2.356 1.00 1.00 H new ATOM 0 HD21 LEU A 20 9.508 -8.316 0.166 1.00 1.00 H new ATOM 0 HD22 LEU A 20 8.916 -9.180 1.604 1.00 1.00 H new ATOM 0 HD23 LEU A 20 8.636 -9.856 -0.018 1.00 1.00 H new ATOM 319 N VAL A 21 3.686 -10.797 0.880 1.00 1.00 N ATOM 320 CA VAL A 21 2.620 -11.608 1.551 1.00 1.00 C ATOM 321 C VAL A 21 1.777 -12.350 0.505 1.00 1.00 C ATOM 322 O VAL A 21 1.342 -13.456 0.765 1.00 1.00 O ATOM 323 CB VAL A 21 1.712 -10.663 2.397 1.00 1.00 C ATOM 324 CG1 VAL A 21 0.694 -11.490 3.215 1.00 1.00 C ATOM 325 CG2 VAL A 21 2.575 -9.819 3.364 1.00 1.00 C ATOM 0 H VAL A 21 3.350 -9.927 0.468 1.00 1.00 H new ATOM 0 HA VAL A 21 3.087 -12.346 2.204 1.00 1.00 H new ATOM 0 HB VAL A 21 1.177 -10.001 1.716 1.00 1.00 H new ATOM 0 HG11 VAL A 21 0.067 -10.818 3.801 1.00 1.00 H new ATOM 0 HG12 VAL A 21 0.069 -12.071 2.537 1.00 1.00 H new ATOM 0 HG13 VAL A 21 1.228 -12.164 3.885 1.00 1.00 H new ATOM 0 HG21 VAL A 21 1.930 -9.163 3.949 1.00 1.00 H new ATOM 0 HG22 VAL A 21 3.123 -10.481 4.034 1.00 1.00 H new ATOM 0 HG23 VAL A 21 3.280 -9.217 2.791 1.00 1.00 H new ATOM 335 N GLY A 22 1.571 -11.736 -0.629 1.00 1.00 N ATOM 336 CA GLY A 22 0.767 -12.378 -1.707 1.00 1.00 C ATOM 337 C GLY A 22 -0.314 -11.479 -2.300 1.00 1.00 C ATOM 338 O GLY A 22 -0.619 -11.613 -3.471 1.00 1.00 O ATOM 0 H GLY A 22 1.929 -10.808 -0.856 1.00 1.00 H new ATOM 0 HA2 GLY A 22 1.438 -12.696 -2.505 1.00 1.00 H new ATOM 0 HA3 GLY A 22 0.298 -13.277 -1.308 1.00 1.00 H new ATOM 342 N LYS A 23 -0.866 -10.597 -1.501 1.00 1.00 N ATOM 343 CA LYS A 23 -1.949 -9.683 -2.003 1.00 1.00 C ATOM 344 C LYS A 23 -1.634 -8.189 -1.816 1.00 1.00 C ATOM 345 O LYS A 23 -0.926 -7.808 -0.907 1.00 1.00 O ATOM 346 CB LYS A 23 -3.261 -10.011 -1.257 1.00 1.00 C ATOM 347 CG LYS A 23 -3.699 -11.489 -1.478 1.00 1.00 C ATOM 348 CD LYS A 23 -4.013 -11.806 -2.964 1.00 1.00 C ATOM 349 CE LYS A 23 -5.188 -10.947 -3.476 1.00 1.00 C ATOM 350 NZ LYS A 23 -5.506 -11.318 -4.884 1.00 1.00 N ATOM 0 H LYS A 23 -0.615 -10.468 -0.521 1.00 1.00 H new ATOM 0 HA LYS A 23 -2.035 -9.856 -3.076 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -3.129 -9.827 -0.191 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -4.051 -9.343 -1.600 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -2.909 -12.154 -1.128 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -4.581 -11.696 -0.872 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -3.129 -11.620 -3.574 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -4.257 -12.863 -3.070 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -6.063 -11.097 -2.844 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -4.930 -9.890 -3.418 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -6.298 -10.737 -5.226 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -4.672 -11.153 -5.483 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -5.770 -12.323 -4.927 1.00 1.00 H new ATOM 364 N ALA A 24 -2.190 -7.413 -2.717 1.00 1.00 N ATOM 365 CA ALA A 24 -2.030 -5.921 -2.732 1.00 1.00 C ATOM 366 C ALA A 24 -2.818 -5.301 -1.568 1.00 1.00 C ATOM 367 O ALA A 24 -3.854 -4.695 -1.753 1.00 1.00 O ATOM 368 CB ALA A 24 -2.536 -5.409 -4.096 1.00 1.00 C ATOM 0 H ALA A 24 -2.773 -7.769 -3.475 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.986 -5.636 -2.603 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.433 -4.325 -4.139 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -1.948 -5.861 -4.895 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -3.585 -5.679 -4.220 1.00 1.00 H new ATOM 374 N THR A 25 -2.289 -5.488 -0.391 1.00 1.00 N ATOM 375 CA THR A 25 -2.873 -4.989 0.855 1.00 1.00 C ATOM 376 C THR A 25 -1.959 -3.975 1.561 1.00 1.00 C ATOM 377 O THR A 25 -0.890 -3.653 1.083 1.00 1.00 O ATOM 378 CB THR A 25 -3.097 -6.227 1.686 1.00 1.00 C ATOM 379 OG1 THR A 25 -1.887 -6.974 1.613 1.00 1.00 O ATOM 380 CG2 THR A 25 -4.187 -7.138 1.107 1.00 1.00 C ATOM 0 H THR A 25 -1.419 -6.002 -0.252 1.00 1.00 H new ATOM 0 HA THR A 25 -3.798 -4.439 0.681 1.00 1.00 H new ATOM 0 HB THR A 25 -3.392 -5.922 2.690 1.00 1.00 H new ATOM 0 HG1 THR A 25 -1.153 -6.446 1.991 1.00 1.00 H new ATOM 0 HG21 THR A 25 -4.306 -8.014 1.745 1.00 1.00 H new ATOM 0 HG22 THR A 25 -5.130 -6.593 1.059 1.00 1.00 H new ATOM 0 HG23 THR A 25 -3.901 -7.456 0.104 1.00 1.00 H new ATOM 388 N GLY A 26 -2.431 -3.514 2.695 1.00 1.00 N ATOM 389 CA GLY A 26 -1.668 -2.526 3.515 1.00 1.00 C ATOM 390 C GLY A 26 -2.370 -1.200 3.755 1.00 1.00 C ATOM 391 O GLY A 26 -3.360 -0.873 3.132 1.00 1.00 O ATOM 0 H GLY A 26 -3.330 -3.788 3.092 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -1.442 -2.978 4.481 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -0.715 -2.330 3.024 1.00 1.00 H new ATOM 395 N LYS A 27 -1.802 -0.487 4.694 1.00 1.00 N ATOM 396 CA LYS A 27 -2.317 0.843 5.087 1.00 1.00 C ATOM 397 C LYS A 27 -1.112 1.789 5.181 1.00 1.00 C ATOM 398 O LYS A 27 0.020 1.368 5.157 1.00 1.00 O ATOM 399 CB LYS A 27 -3.052 0.675 6.446 1.00 1.00 C ATOM 400 CG LYS A 27 -3.646 1.980 7.068 1.00 1.00 C ATOM 401 CD LYS A 27 -4.966 2.471 6.397 1.00 1.00 C ATOM 402 CE LYS A 27 -4.766 3.128 5.016 1.00 1.00 C ATOM 403 NZ LYS A 27 -6.069 3.663 4.537 1.00 1.00 N ATOM 0 H LYS A 27 -0.978 -0.788 5.215 1.00 1.00 H new ATOM 0 HA LYS A 27 -3.024 1.261 4.370 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -3.862 -0.042 6.312 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -2.355 0.239 7.162 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -3.833 1.810 8.128 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -2.901 2.773 6.999 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -5.643 1.623 6.289 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -5.453 3.186 7.060 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -4.032 3.931 5.085 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -4.375 2.399 4.306 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -5.912 4.265 3.704 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -6.695 2.873 4.280 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -6.512 4.225 5.292 1.00 1.00 H new ATOM 417 N CYS A 28 -1.427 3.051 5.289 1.00 1.00 N ATOM 418 CA CYS A 28 -0.397 4.124 5.394 1.00 1.00 C ATOM 419 C CYS A 28 -0.477 4.586 6.835 1.00 1.00 C ATOM 420 O CYS A 28 -1.386 5.279 7.251 1.00 1.00 O ATOM 421 CB CYS A 28 -0.768 5.211 4.443 1.00 1.00 C ATOM 422 SG CYS A 28 0.378 6.557 4.096 1.00 1.00 S ATOM 0 H CYS A 28 -2.388 3.393 5.309 1.00 1.00 H new ATOM 0 HA CYS A 28 0.615 3.804 5.146 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -1.005 4.737 3.490 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.689 5.661 4.813 1.00 1.00 H new ATOM 427 N THR A 29 0.513 4.145 7.529 1.00 1.00 N ATOM 428 CA THR A 29 0.641 4.461 8.989 1.00 1.00 C ATOM 429 C THR A 29 1.958 5.162 9.287 1.00 1.00 C ATOM 430 O THR A 29 3.024 4.660 9.000 1.00 1.00 O ATOM 431 CB THR A 29 0.554 3.163 9.752 1.00 1.00 C ATOM 432 OG1 THR A 29 -0.697 2.620 9.370 1.00 1.00 O ATOM 433 CG2 THR A 29 0.443 3.352 11.259 1.00 1.00 C ATOM 0 H THR A 29 1.263 3.565 7.153 1.00 1.00 H new ATOM 0 HA THR A 29 -0.159 5.137 9.290 1.00 1.00 H new ATOM 0 HB THR A 29 1.443 2.568 9.540 1.00 1.00 H new ATOM 0 HG1 THR A 29 -0.982 1.957 10.033 1.00 1.00 H new ATOM 0 HG21 THR A 29 0.384 2.378 11.745 1.00 1.00 H new ATOM 0 HG22 THR A 29 1.320 3.887 11.624 1.00 1.00 H new ATOM 0 HG23 THR A 29 -0.454 3.926 11.489 1.00 1.00 H new ATOM 441 N ASN A 30 1.798 6.307 9.891 1.00 1.00 N ATOM 442 CA ASN A 30 2.926 7.204 10.284 1.00 1.00 C ATOM 443 C ASN A 30 3.926 7.368 9.127 1.00 1.00 C ATOM 444 O ASN A 30 5.131 7.397 9.306 1.00 1.00 O ATOM 445 CB ASN A 30 3.618 6.602 11.529 1.00 1.00 C ATOM 446 CG ASN A 30 2.611 6.489 12.682 1.00 1.00 C ATOM 447 OD1 ASN A 30 2.003 7.459 13.094 1.00 1.00 O ATOM 448 ND2 ASN A 30 2.404 5.326 13.232 1.00 1.00 N ATOM 0 H ASN A 30 0.881 6.677 10.141 1.00 1.00 H new ATOM 0 HA ASN A 30 2.541 8.196 10.520 1.00 1.00 H new ATOM 0 HB2 ASN A 30 4.023 5.619 11.291 1.00 1.00 H new ATOM 0 HB3 ASN A 30 4.458 7.229 11.828 1.00 1.00 H new ATOM 0 HD21 ASN A 30 1.738 5.236 13.999 1.00 1.00 H new ATOM 0 HD22 ASN A 30 2.908 4.506 12.895 1.00 1.00 H new ATOM 455 N GLY A 31 3.346 7.477 7.958 1.00 1.00 N ATOM 456 CA GLY A 31 4.108 7.646 6.695 1.00 1.00 C ATOM 457 C GLY A 31 4.987 6.436 6.375 1.00 1.00 C ATOM 458 O GLY A 31 6.003 6.556 5.721 1.00 1.00 O ATOM 0 H GLY A 31 2.334 7.454 7.830 1.00 1.00 H new ATOM 0 HA2 GLY A 31 3.411 7.812 5.873 1.00 1.00 H new ATOM 0 HA3 GLY A 31 4.733 8.536 6.768 1.00 1.00 H new ATOM 462 N ARG A 32 4.552 5.314 6.865 1.00 1.00 N ATOM 463 CA ARG A 32 5.236 4.009 6.678 1.00 1.00 C ATOM 464 C ARG A 32 4.164 2.975 6.377 1.00 1.00 C ATOM 465 O ARG A 32 3.002 3.187 6.648 1.00 1.00 O ATOM 466 CB ARG A 32 5.928 3.585 7.939 1.00 1.00 C ATOM 467 CG ARG A 32 6.978 4.621 8.357 1.00 1.00 C ATOM 468 CD ARG A 32 7.416 4.263 9.768 1.00 1.00 C ATOM 469 NE ARG A 32 8.684 4.991 10.064 1.00 1.00 N ATOM 470 CZ ARG A 32 9.778 4.321 10.286 1.00 1.00 C ATOM 471 NH1 ARG A 32 10.345 3.701 9.289 1.00 1.00 N ATOM 472 NH2 ARG A 32 10.268 4.290 11.495 1.00 1.00 N ATOM 0 H ARG A 32 3.699 5.247 7.420 1.00 1.00 H new ATOM 0 HA ARG A 32 5.970 4.097 5.877 1.00 1.00 H new ATOM 0 HB2 ARG A 32 5.196 3.460 8.737 1.00 1.00 H new ATOM 0 HB3 ARG A 32 6.405 2.616 7.790 1.00 1.00 H new ATOM 0 HG2 ARG A 32 7.827 4.607 7.674 1.00 1.00 H new ATOM 0 HG3 ARG A 32 6.561 5.628 8.326 1.00 1.00 H new ATOM 0 HD2 ARG A 32 6.644 4.538 10.486 1.00 1.00 H new ATOM 0 HD3 ARG A 32 7.566 3.187 9.857 1.00 1.00 H new ATOM 0 HE ARG A 32 8.694 6.011 10.092 1.00 1.00 H new ATOM 0 HH11 ARG A 32 9.931 3.747 8.358 1.00 1.00 H new ATOM 0 HH12 ARG A 32 11.203 3.170 9.440 1.00 1.00 H new ATOM 0 HH21 ARG A 32 9.795 4.786 12.250 1.00 1.00 H new ATOM 0 HH22 ARG A 32 11.124 3.769 11.685 1.00 1.00 H new ATOM 486 N CYS A 33 4.583 1.878 5.820 1.00 1.00 N ATOM 487 CA CYS A 33 3.597 0.807 5.497 1.00 1.00 C ATOM 488 C CYS A 33 3.069 0.067 6.719 1.00 1.00 C ATOM 489 O CYS A 33 3.787 -0.167 7.670 1.00 1.00 O ATOM 490 CB CYS A 33 4.186 -0.279 4.634 1.00 1.00 C ATOM 491 SG CYS A 33 3.025 -1.523 4.030 1.00 1.00 S ATOM 0 H CYS A 33 5.552 1.674 5.575 1.00 1.00 H new ATOM 0 HA CYS A 33 2.802 1.357 4.994 1.00 1.00 H new ATOM 0 HB2 CYS A 33 4.668 0.188 3.775 1.00 1.00 H new ATOM 0 HB3 CYS A 33 4.967 -0.784 5.202 1.00 1.00 H new ATOM 496 N ASP A 34 1.814 -0.260 6.625 1.00 1.00 N ATOM 497 CA ASP A 34 1.115 -1.009 7.700 1.00 1.00 C ATOM 498 C ASP A 34 0.255 -2.102 7.056 1.00 1.00 C ATOM 499 O ASP A 34 -0.924 -1.906 6.865 1.00 1.00 O ATOM 500 CB ASP A 34 0.277 -0.020 8.483 1.00 1.00 C ATOM 501 CG ASP A 34 -0.492 -0.727 9.609 1.00 1.00 C ATOM 502 OD1 ASP A 34 0.166 -1.279 10.469 1.00 1.00 O ATOM 503 OD2 ASP A 34 -1.705 -0.673 9.542 1.00 1.00 O ATOM 0 H ASP A 34 1.227 -0.032 5.823 1.00 1.00 H new ATOM 0 HA ASP A 34 1.815 -1.492 8.382 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.919 0.753 8.905 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.425 0.478 7.814 1.00 1.00 H new ATOM 508 N CYS A 35 0.864 -3.220 6.722 1.00 1.00 N ATOM 509 CA CYS A 35 0.093 -4.337 6.086 1.00 1.00 C ATOM 510 C CYS A 35 0.196 -5.625 6.930 1.00 1.00 C ATOM 511 O CYS A 35 0.565 -5.484 8.080 1.00 1.00 O ATOM 512 CB CYS A 35 0.652 -4.527 4.649 1.00 1.00 C ATOM 513 SG CYS A 35 -0.351 -5.523 3.522 1.00 1.00 S ATOM 514 OXT CYS A 35 -0.101 -6.676 6.387 1.00 1.00 O ATOM 0 H CYS A 35 1.857 -3.405 6.862 1.00 1.00 H new ATOM 0 HA CYS A 35 -0.969 -4.098 6.034 1.00 1.00 H new ATOM 0 HB2 CYS A 35 0.791 -3.542 4.203 1.00 1.00 H new ATOM 0 HB3 CYS A 35 1.638 -4.985 4.724 1.00 1.00 H new TER 519 CYS A 35