USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=10 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 27 LYS NZ :NH3+ -128:sc= -0.456 (180deg=-3.63!) USER MOD Set 1.2: A 29 THR OG1 : rot -31:sc= -1.88 USER MOD Single : A 1 VAL N :NH3+ 137:sc= -0.609 (180deg=-1.82!) USER MOD Single : A 5 GLN : amide:sc= 0.0584 X(o=0.058,f=-0.11) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : 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 USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= -0.0431 (180deg=-0.26) USER MOD Single : A 19 LYS NZ :NH3+ -138:sc= -1.77! (180deg=-4.55!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.484 USER MOD Single : A 30 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.910 -7.259 4.844 1.00 1.00 N ATOM 2 CA VAL A 1 3.179 -6.969 6.279 1.00 1.00 C ATOM 3 C VAL A 1 3.506 -5.488 6.526 1.00 1.00 C ATOM 4 O VAL A 1 3.633 -4.701 5.610 1.00 1.00 O ATOM 5 CB VAL A 1 4.370 -7.822 6.798 1.00 1.00 C ATOM 6 CG1 VAL A 1 3.977 -9.311 6.792 1.00 1.00 C ATOM 7 CG2 VAL A 1 5.626 -7.631 5.916 1.00 1.00 C ATOM 0 H1 VAL A 1 3.385 -8.144 4.574 1.00 1.00 H new ATOM 0 H2 VAL A 1 1.885 -7.357 4.696 1.00 1.00 H new ATOM 0 H3 VAL A 1 3.272 -6.479 4.259 1.00 1.00 H new ATOM 0 HA VAL A 1 2.265 -7.221 6.816 1.00 1.00 H new ATOM 0 HB VAL A 1 4.604 -7.494 7.811 1.00 1.00 H new ATOM 0 HG11 VAL A 1 4.812 -9.909 7.156 1.00 1.00 H new ATOM 0 HG12 VAL A 1 3.113 -9.462 7.439 1.00 1.00 H new ATOM 0 HG13 VAL A 1 3.727 -9.617 5.776 1.00 1.00 H new ATOM 0 HG21 VAL A 1 6.441 -8.241 6.306 1.00 1.00 H new ATOM 0 HG22 VAL A 1 5.402 -7.935 4.893 1.00 1.00 H new ATOM 0 HG23 VAL A 1 5.922 -6.582 5.926 1.00 1.00 H new ATOM 19 N VAL A 2 3.623 -5.176 7.792 1.00 1.00 N ATOM 20 CA VAL A 2 3.945 -3.786 8.240 1.00 1.00 C ATOM 21 C VAL A 2 5.403 -3.473 7.890 1.00 1.00 C ATOM 22 O VAL A 2 6.296 -4.104 8.424 1.00 1.00 O ATOM 23 CB VAL A 2 3.735 -3.687 9.771 1.00 1.00 C ATOM 24 CG1 VAL A 2 4.038 -2.265 10.289 1.00 1.00 C ATOM 25 CG2 VAL A 2 2.288 -4.080 10.151 1.00 1.00 C ATOM 0 H VAL A 2 3.506 -5.844 8.553 1.00 1.00 H new ATOM 0 HA VAL A 2 3.293 -3.069 7.741 1.00 1.00 H new ATOM 0 HB VAL A 2 4.431 -4.382 10.241 1.00 1.00 H new ATOM 0 HG11 VAL A 2 3.881 -2.229 11.367 1.00 1.00 H new ATOM 0 HG12 VAL A 2 5.073 -2.009 10.064 1.00 1.00 H new ATOM 0 HG13 VAL A 2 3.374 -1.551 9.802 1.00 1.00 H new ATOM 0 HG21 VAL A 2 2.162 -4.004 11.231 1.00 1.00 H new ATOM 0 HG22 VAL A 2 1.587 -3.409 9.655 1.00 1.00 H new ATOM 0 HG23 VAL A 2 2.094 -5.105 9.835 1.00 1.00 H new ATOM 35 N ILE A 3 5.606 -2.520 7.010 1.00 1.00 N ATOM 36 CA ILE A 3 7.010 -2.161 6.616 1.00 1.00 C ATOM 37 C ILE A 3 7.316 -0.662 6.582 1.00 1.00 C ATOM 38 O ILE A 3 6.454 0.191 6.559 1.00 1.00 O ATOM 39 CB ILE A 3 7.344 -2.777 5.206 1.00 1.00 C ATOM 40 CG1 ILE A 3 6.565 -2.098 4.048 1.00 1.00 C ATOM 41 CG2 ILE A 3 6.929 -4.241 5.249 1.00 1.00 C ATOM 42 CD1 ILE A 3 7.059 -2.610 2.675 1.00 1.00 C ATOM 0 H ILE A 3 4.872 -1.980 6.552 1.00 1.00 H new ATOM 0 HA ILE A 3 7.637 -2.580 7.403 1.00 1.00 H new ATOM 0 HB ILE A 3 8.407 -2.634 5.015 1.00 1.00 H new ATOM 0 HG12 ILE A 3 5.499 -2.300 4.154 1.00 1.00 H new ATOM 0 HG13 ILE A 3 6.691 -1.017 4.104 1.00 1.00 H new ATOM 0 HG21 ILE A 3 7.144 -4.708 4.288 1.00 1.00 H new ATOM 0 HG22 ILE A 3 7.485 -4.754 6.034 1.00 1.00 H new ATOM 0 HG23 ILE A 3 5.861 -4.311 5.456 1.00 1.00 H new ATOM 0 HD11 ILE A 3 6.498 -2.119 1.880 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.120 -2.385 2.563 1.00 1.00 H new ATOM 0 HD13 ILE A 3 6.909 -3.688 2.613 1.00 1.00 H new ATOM 54 N GLY A 4 8.605 -0.438 6.574 1.00 1.00 N ATOM 55 CA GLY A 4 9.176 0.919 6.540 1.00 1.00 C ATOM 56 C GLY A 4 8.712 1.693 5.307 1.00 1.00 C ATOM 57 O GLY A 4 8.383 2.855 5.444 1.00 1.00 O ATOM 0 H GLY A 4 9.304 -1.180 6.591 1.00 1.00 H new ATOM 0 HA2 GLY A 4 8.885 1.460 7.441 1.00 1.00 H new ATOM 0 HA3 GLY A 4 10.264 0.857 6.543 1.00 1.00 H new ATOM 61 N GLN A 5 8.713 1.012 4.177 1.00 1.00 N ATOM 62 CA GLN A 5 8.291 1.599 2.855 1.00 1.00 C ATOM 63 C GLN A 5 7.522 2.914 2.982 1.00 1.00 C ATOM 64 O GLN A 5 6.308 2.915 3.074 1.00 1.00 O ATOM 65 CB GLN A 5 7.431 0.564 2.076 1.00 1.00 C ATOM 66 CG GLN A 5 6.919 1.117 0.721 1.00 1.00 C ATOM 67 CD GLN A 5 8.078 1.670 -0.110 1.00 1.00 C ATOM 68 OE1 GLN A 5 8.989 0.957 -0.487 1.00 1.00 O ATOM 69 NE2 GLN A 5 8.079 2.938 -0.419 1.00 1.00 N ATOM 0 H GLN A 5 9.001 0.035 4.116 1.00 1.00 H new ATOM 0 HA GLN A 5 9.208 1.829 2.312 1.00 1.00 H new ATOM 0 HB2 GLN A 5 8.022 -0.334 1.898 1.00 1.00 H new ATOM 0 HB3 GLN A 5 6.580 0.269 2.689 1.00 1.00 H new ATOM 0 HG2 GLN A 5 6.413 0.326 0.168 1.00 1.00 H new ATOM 0 HG3 GLN A 5 6.184 1.903 0.897 1.00 1.00 H new ATOM 0 HE21 GLN A 5 7.318 3.540 -0.105 1.00 1.00 H new ATOM 0 HE22 GLN A 5 8.841 3.327 -0.974 1.00 1.00 H new ATOM 78 N ARG A 6 8.277 3.987 3.003 1.00 1.00 N ATOM 79 CA ARG A 6 7.686 5.351 3.123 1.00 1.00 C ATOM 80 C ARG A 6 6.406 5.465 2.283 1.00 1.00 C ATOM 81 O ARG A 6 6.366 5.040 1.142 1.00 1.00 O ATOM 82 CB ARG A 6 8.731 6.394 2.658 1.00 1.00 C ATOM 83 CG ARG A 6 9.018 6.251 1.149 1.00 1.00 C ATOM 84 CD ARG A 6 10.181 7.170 0.736 1.00 1.00 C ATOM 85 NE ARG A 6 11.405 6.748 1.482 1.00 1.00 N ATOM 86 CZ ARG A 6 12.448 6.311 0.830 1.00 1.00 C ATOM 87 NH1 ARG A 6 12.468 5.065 0.444 1.00 1.00 N ATOM 88 NH2 ARG A 6 13.432 7.131 0.590 1.00 1.00 N ATOM 0 H ARG A 6 9.295 3.971 2.941 1.00 1.00 H new ATOM 0 HA ARG A 6 7.420 5.538 4.163 1.00 1.00 H new ATOM 0 HB2 ARG A 6 8.366 7.399 2.869 1.00 1.00 H new ATOM 0 HB3 ARG A 6 9.655 6.265 3.222 1.00 1.00 H new ATOM 0 HG2 ARG A 6 9.264 5.215 0.915 1.00 1.00 H new ATOM 0 HG3 ARG A 6 8.125 6.504 0.577 1.00 1.00 H new ATOM 0 HD2 ARG A 6 10.351 7.106 -0.339 1.00 1.00 H new ATOM 0 HD3 ARG A 6 9.940 8.209 0.959 1.00 1.00 H new ATOM 0 HE ARG A 6 11.426 6.801 2.500 1.00 1.00 H new ATOM 0 HH11 ARG A 6 11.679 4.454 0.653 1.00 1.00 H new ATOM 0 HH12 ARG A 6 13.273 4.702 -0.067 1.00 1.00 H new ATOM 0 HH21 ARG A 6 13.380 8.098 0.910 1.00 1.00 H new ATOM 0 HH22 ARG A 6 14.254 6.806 0.082 1.00 1.00 H new ATOM 102 N CYS A 7 5.406 6.030 2.892 1.00 1.00 N ATOM 103 CA CYS A 7 4.103 6.209 2.205 1.00 1.00 C ATOM 104 C CYS A 7 3.717 7.680 2.023 1.00 1.00 C ATOM 105 O CYS A 7 4.204 8.552 2.710 1.00 1.00 O ATOM 106 CB CYS A 7 3.025 5.491 3.022 1.00 1.00 C ATOM 107 SG CYS A 7 1.324 5.878 2.549 1.00 1.00 S ATOM 0 H CYS A 7 5.437 6.380 3.850 1.00 1.00 H new ATOM 0 HA CYS A 7 4.192 5.786 1.204 1.00 1.00 H new ATOM 0 HB2 CYS A 7 3.176 4.416 2.929 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.160 5.742 4.074 1.00 1.00 H new ATOM 112 N TYR A 8 2.835 7.882 1.078 1.00 1.00 N ATOM 113 CA TYR A 8 2.315 9.238 0.735 1.00 1.00 C ATOM 114 C TYR A 8 0.808 9.139 0.988 1.00 1.00 C ATOM 115 O TYR A 8 0.252 9.828 1.818 1.00 1.00 O ATOM 116 CB TYR A 8 2.627 9.499 -0.734 1.00 1.00 C ATOM 117 CG TYR A 8 2.495 10.996 -1.073 1.00 1.00 C ATOM 118 CD1 TYR A 8 3.286 11.934 -0.429 1.00 1.00 C ATOM 119 CD2 TYR A 8 1.591 11.433 -2.022 1.00 1.00 C ATOM 120 CE1 TYR A 8 3.174 13.274 -0.730 1.00 1.00 C ATOM 121 CE2 TYR A 8 1.479 12.776 -2.321 1.00 1.00 C ATOM 122 CZ TYR A 8 2.271 13.704 -1.678 1.00 1.00 C ATOM 123 OH TYR A 8 2.159 15.048 -1.977 1.00 1.00 O ATOM 0 H TYR A 8 2.440 7.133 0.510 1.00 1.00 H new ATOM 0 HA TYR A 8 2.753 10.052 1.312 1.00 1.00 H new ATOM 0 HB2 TYR A 8 3.638 9.160 -0.960 1.00 1.00 H new ATOM 0 HB3 TYR A 8 1.949 8.920 -1.361 1.00 1.00 H new ATOM 0 HD1 TYR A 8 3.998 11.611 0.317 1.00 1.00 H new ATOM 0 HD2 TYR A 8 0.966 10.717 -2.535 1.00 1.00 H new ATOM 0 HE1 TYR A 8 3.798 13.992 -0.219 1.00 1.00 H new ATOM 0 HE2 TYR A 8 0.766 13.102 -3.064 1.00 1.00 H new ATOM 0 HH TYR A 8 1.476 15.174 -2.668 1.00 1.00 H new ATOM 133 N ARG A 9 0.221 8.253 0.225 1.00 1.00 N ATOM 134 CA ARG A 9 -1.237 7.965 0.284 1.00 1.00 C ATOM 135 C ARG A 9 -1.476 6.502 0.690 1.00 1.00 C ATOM 136 O ARG A 9 -0.593 5.673 0.582 1.00 1.00 O ATOM 137 CB ARG A 9 -1.874 8.256 -1.106 1.00 1.00 C ATOM 138 CG ARG A 9 -0.848 8.241 -2.277 1.00 1.00 C ATOM 139 CD ARG A 9 -0.217 6.854 -2.453 1.00 1.00 C ATOM 140 NE ARG A 9 1.029 7.015 -3.241 1.00 1.00 N ATOM 141 CZ ARG A 9 1.218 6.318 -4.326 1.00 1.00 C ATOM 142 NH1 ARG A 9 0.554 6.626 -5.406 1.00 1.00 N ATOM 143 NH2 ARG A 9 2.073 5.333 -4.288 1.00 1.00 N ATOM 0 H ARG A 9 0.721 7.694 -0.467 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.703 8.605 1.033 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -2.649 7.515 -1.303 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -2.364 9.229 -1.075 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -1.345 8.536 -3.201 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -0.066 8.976 -2.087 1.00 1.00 H new ATOM 0 HD2 ARG A 9 0.001 6.408 -1.482 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -0.907 6.183 -2.964 1.00 1.00 H new ATOM 0 HE ARG A 9 1.742 7.675 -2.932 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -0.104 7.405 -5.395 1.00 1.00 H new ATOM 0 HH12 ARG A 9 0.693 6.088 -6.261 1.00 1.00 H new ATOM 0 HH21 ARG A 9 2.574 5.125 -3.424 1.00 1.00 H new ATOM 0 HH22 ARG A 9 2.241 4.771 -5.122 1.00 1.00 H new ATOM 157 N SER A 10 -2.678 6.258 1.137 1.00 1.00 N ATOM 158 CA SER A 10 -3.130 4.896 1.593 1.00 1.00 C ATOM 159 C SER A 10 -2.304 3.666 1.137 1.00 1.00 C ATOM 160 O SER A 10 -1.801 2.963 1.994 1.00 1.00 O ATOM 161 CB SER A 10 -4.598 4.709 1.162 1.00 1.00 C ATOM 162 OG SER A 10 -5.304 5.682 1.922 1.00 1.00 O ATOM 0 H SER A 10 -3.401 6.974 1.210 1.00 1.00 H new ATOM 0 HA SER A 10 -2.983 4.909 2.673 1.00 1.00 H new ATOM 0 HB2 SER A 10 -4.724 4.870 0.091 1.00 1.00 H new ATOM 0 HB3 SER A 10 -4.952 3.701 1.376 1.00 1.00 H new ATOM 0 HG SER A 10 -6.259 5.635 1.707 1.00 1.00 H new ATOM 168 N PRO A 11 -2.168 3.408 -0.143 1.00 1.00 N ATOM 169 CA PRO A 11 -1.333 2.281 -0.624 1.00 1.00 C ATOM 170 C PRO A 11 0.173 2.535 -0.468 1.00 1.00 C ATOM 171 O PRO A 11 0.712 2.311 0.592 1.00 1.00 O ATOM 172 CB PRO A 11 -1.794 2.107 -2.076 1.00 1.00 C ATOM 173 CG PRO A 11 -2.068 3.568 -2.499 1.00 1.00 C ATOM 174 CD PRO A 11 -2.798 4.141 -1.282 1.00 1.00 C ATOM 0 HA PRO A 11 -1.464 1.370 -0.040 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -1.028 1.639 -2.695 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.687 1.486 -2.150 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.145 4.108 -2.709 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -2.680 3.621 -3.400 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.658 5.219 -1.197 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -3.872 3.962 -1.333 1.00 1.00 H new ATOM 182 N ASP A 12 0.796 2.992 -1.524 1.00 1.00 N ATOM 183 CA ASP A 12 2.264 3.295 -1.573 1.00 1.00 C ATOM 184 C ASP A 12 3.052 2.146 -0.902 1.00 1.00 C ATOM 185 O ASP A 12 4.126 2.325 -0.362 1.00 1.00 O ATOM 186 CB ASP A 12 2.442 4.643 -0.850 1.00 1.00 C ATOM 187 CG ASP A 12 3.717 5.392 -1.285 1.00 1.00 C ATOM 188 OD1 ASP A 12 4.791 4.827 -1.151 1.00 1.00 O ATOM 189 OD2 ASP A 12 3.541 6.513 -1.733 1.00 1.00 O ATOM 0 H ASP A 12 0.318 3.178 -2.406 1.00 1.00 H new ATOM 0 HA ASP A 12 2.648 3.371 -2.590 1.00 1.00 H new ATOM 0 HB2 ASP A 12 1.573 5.272 -1.044 1.00 1.00 H new ATOM 0 HB3 ASP A 12 2.477 4.471 0.226 1.00 1.00 H new ATOM 194 N CYS A 13 2.452 0.990 -0.984 1.00 1.00 N ATOM 195 CA CYS A 13 3.034 -0.251 -0.405 1.00 1.00 C ATOM 196 C CYS A 13 2.346 -1.545 -0.869 1.00 1.00 C ATOM 197 O CYS A 13 2.951 -2.595 -0.812 1.00 1.00 O ATOM 198 CB CYS A 13 2.943 -0.189 1.094 1.00 1.00 C ATOM 199 SG CYS A 13 3.637 -1.613 1.966 1.00 1.00 S ATOM 0 H CYS A 13 1.552 0.852 -1.444 1.00 1.00 H new ATOM 0 HA CYS A 13 4.065 -0.289 -0.756 1.00 1.00 H new ATOM 0 HB2 CYS A 13 3.454 0.711 1.436 1.00 1.00 H new ATOM 0 HB3 CYS A 13 1.895 -0.087 1.375 1.00 1.00 H new ATOM 204 N TYR A 14 1.111 -1.445 -1.303 1.00 1.00 N ATOM 205 CA TYR A 14 0.330 -2.631 -1.776 1.00 1.00 C ATOM 206 C TYR A 14 1.183 -3.599 -2.572 1.00 1.00 C ATOM 207 O TYR A 14 1.362 -4.725 -2.165 1.00 1.00 O ATOM 208 CB TYR A 14 -0.827 -2.121 -2.639 1.00 1.00 C ATOM 209 CG TYR A 14 -1.977 -1.515 -1.803 1.00 1.00 C ATOM 210 CD1 TYR A 14 -1.825 -1.170 -0.472 1.00 1.00 C ATOM 211 CD2 TYR A 14 -3.203 -1.299 -2.402 1.00 1.00 C ATOM 212 CE1 TYR A 14 -2.871 -0.627 0.228 1.00 1.00 C ATOM 213 CE2 TYR A 14 -4.251 -0.754 -1.691 1.00 1.00 C ATOM 214 CZ TYR A 14 -4.093 -0.415 -0.365 1.00 1.00 C ATOM 215 OH TYR A 14 -5.136 0.123 0.347 1.00 1.00 O ATOM 0 H TYR A 14 0.599 -0.564 -1.350 1.00 1.00 H new ATOM 0 HA TYR A 14 -0.039 -3.178 -0.908 1.00 1.00 H new ATOM 0 HB2 TYR A 14 -0.452 -1.368 -3.332 1.00 1.00 H new ATOM 0 HB3 TYR A 14 -1.215 -2.943 -3.240 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -0.876 -1.329 0.019 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -3.342 -1.560 -3.441 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -2.732 -0.361 1.265 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -5.202 -0.592 -2.177 1.00 1.00 H new ATOM 0 HH TYR A 14 -5.922 0.202 -0.233 1.00 1.00 H new ATOM 225 N SER A 15 1.670 -3.111 -3.675 1.00 1.00 N ATOM 226 CA SER A 15 2.541 -3.926 -4.584 1.00 1.00 C ATOM 227 C SER A 15 3.580 -4.734 -3.781 1.00 1.00 C ATOM 228 O SER A 15 3.776 -5.913 -4.008 1.00 1.00 O ATOM 229 CB SER A 15 3.252 -2.973 -5.565 1.00 1.00 C ATOM 230 OG SER A 15 4.018 -3.817 -6.418 1.00 1.00 O ATOM 0 H SER A 15 1.501 -2.159 -3.998 1.00 1.00 H new ATOM 0 HA SER A 15 1.923 -4.637 -5.131 1.00 1.00 H new ATOM 0 HB2 SER A 15 2.532 -2.386 -6.135 1.00 1.00 H new ATOM 0 HB3 SER A 15 3.890 -2.266 -5.034 1.00 1.00 H new ATOM 0 HG SER A 15 4.499 -3.270 -7.073 1.00 1.00 H new ATOM 236 N ALA A 16 4.203 -4.038 -2.862 1.00 1.00 N ATOM 237 CA ALA A 16 5.247 -4.665 -1.988 1.00 1.00 C ATOM 238 C ALA A 16 4.644 -5.772 -1.107 1.00 1.00 C ATOM 239 O ALA A 16 5.186 -6.854 -0.979 1.00 1.00 O ATOM 240 CB ALA A 16 5.879 -3.582 -1.089 1.00 1.00 C ATOM 0 H ALA A 16 4.031 -3.050 -2.677 1.00 1.00 H new ATOM 0 HA ALA A 16 6.007 -5.113 -2.629 1.00 1.00 H new ATOM 0 HB1 ALA A 16 6.639 -4.035 -0.452 1.00 1.00 H new ATOM 0 HB2 ALA A 16 6.339 -2.815 -1.712 1.00 1.00 H new ATOM 0 HB3 ALA A 16 5.107 -3.130 -0.467 1.00 1.00 H new ATOM 246 N CYS A 17 3.515 -5.463 -0.528 1.00 1.00 N ATOM 247 CA CYS A 17 2.824 -6.446 0.350 1.00 1.00 C ATOM 248 C CYS A 17 2.445 -7.649 -0.501 1.00 1.00 C ATOM 249 O CYS A 17 2.532 -8.771 -0.064 1.00 1.00 O ATOM 250 CB CYS A 17 1.555 -5.832 0.962 1.00 1.00 C ATOM 251 SG CYS A 17 0.814 -6.791 2.307 1.00 1.00 S ATOM 0 H CYS A 17 3.040 -4.566 -0.627 1.00 1.00 H new ATOM 0 HA CYS A 17 3.486 -6.738 1.165 1.00 1.00 H new ATOM 0 HB2 CYS A 17 1.795 -4.836 1.335 1.00 1.00 H new ATOM 0 HB3 CYS A 17 0.813 -5.707 0.173 1.00 1.00 H new ATOM 256 N LYS A 18 2.026 -7.389 -1.708 1.00 1.00 N ATOM 257 CA LYS A 18 1.637 -8.492 -2.618 1.00 1.00 C ATOM 258 C LYS A 18 2.849 -9.391 -2.845 1.00 1.00 C ATOM 259 O LYS A 18 2.769 -10.592 -2.686 1.00 1.00 O ATOM 260 CB LYS A 18 1.181 -7.909 -3.955 1.00 1.00 C ATOM 261 CG LYS A 18 0.518 -9.012 -4.814 1.00 1.00 C ATOM 262 CD LYS A 18 0.156 -8.486 -6.227 1.00 1.00 C ATOM 263 CE LYS A 18 1.406 -7.983 -6.989 1.00 1.00 C ATOM 264 NZ LYS A 18 2.449 -9.051 -7.056 1.00 1.00 N ATOM 0 H LYS A 18 1.937 -6.452 -2.102 1.00 1.00 H new ATOM 0 HA LYS A 18 0.823 -9.068 -2.178 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.476 -7.096 -3.785 1.00 1.00 H new ATOM 0 HB3 LYS A 18 2.033 -7.486 -4.486 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.194 -9.862 -4.903 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.382 -9.371 -4.316 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.324 -9.280 -6.799 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.567 -7.675 -6.139 1.00 1.00 H new ATOM 0 HE2 LYS A 18 1.125 -7.678 -7.997 1.00 1.00 H new ATOM 0 HE3 LYS A 18 1.812 -7.102 -6.491 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 3.195 -8.766 -7.722 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 2.863 -9.192 -6.112 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 2.016 -9.939 -7.380 1.00 1.00 H new ATOM 278 N LYS A 19 3.943 -8.773 -3.215 1.00 1.00 N ATOM 279 CA LYS A 19 5.173 -9.598 -3.458 1.00 1.00 C ATOM 280 C LYS A 19 5.769 -10.159 -2.149 1.00 1.00 C ATOM 281 O LYS A 19 6.547 -11.094 -2.200 1.00 1.00 O ATOM 282 CB LYS A 19 6.227 -8.737 -4.218 1.00 1.00 C ATOM 283 CG LYS A 19 6.665 -7.521 -3.407 1.00 1.00 C ATOM 284 CD LYS A 19 7.723 -6.653 -4.142 1.00 1.00 C ATOM 285 CE LYS A 19 7.125 -5.909 -5.363 1.00 1.00 C ATOM 286 NZ LYS A 19 6.851 -6.843 -6.492 1.00 1.00 N ATOM 0 H LYS A 19 4.042 -7.768 -3.356 1.00 1.00 H new ATOM 0 HA LYS A 19 4.891 -10.458 -4.066 1.00 1.00 H new ATOM 0 HB2 LYS A 19 7.097 -9.351 -4.449 1.00 1.00 H new ATOM 0 HB3 LYS A 19 5.808 -8.407 -5.169 1.00 1.00 H new ATOM 0 HG2 LYS A 19 5.793 -6.908 -3.181 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.075 -7.855 -2.454 1.00 1.00 H new ATOM 0 HD2 LYS A 19 8.142 -5.927 -3.445 1.00 1.00 H new ATOM 0 HD3 LYS A 19 8.545 -7.288 -4.473 1.00 1.00 H new ATOM 0 HE2 LYS A 19 6.201 -5.410 -5.070 1.00 1.00 H new ATOM 0 HE3 LYS A 19 7.816 -5.133 -5.691 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 7.142 -6.401 -7.387 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 7.385 -7.724 -6.351 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 5.834 -7.057 -6.527 1.00 1.00 H new ATOM 300 N LEU A 20 5.400 -9.589 -1.023 1.00 1.00 N ATOM 301 CA LEU A 20 5.931 -10.089 0.284 1.00 1.00 C ATOM 302 C LEU A 20 5.089 -11.236 0.875 1.00 1.00 C ATOM 303 O LEU A 20 5.641 -12.255 1.242 1.00 1.00 O ATOM 304 CB LEU A 20 5.981 -8.912 1.306 1.00 1.00 C ATOM 305 CG LEU A 20 7.422 -8.335 1.439 1.00 1.00 C ATOM 306 CD1 LEU A 20 8.004 -7.836 0.098 1.00 1.00 C ATOM 307 CD2 LEU A 20 7.390 -7.151 2.427 1.00 1.00 C ATOM 0 H LEU A 20 4.756 -8.801 -0.955 1.00 1.00 H new ATOM 0 HA LEU A 20 6.929 -10.484 0.094 1.00 1.00 H new ATOM 0 HB2 LEU A 20 5.300 -8.123 0.988 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.635 -9.259 2.280 1.00 1.00 H new ATOM 0 HG LEU A 20 8.061 -9.145 1.791 1.00 1.00 H new ATOM 0 HD11 LEU A 20 9.009 -7.447 0.260 1.00 1.00 H new ATOM 0 HD12 LEU A 20 8.045 -8.663 -0.611 1.00 1.00 H new ATOM 0 HD13 LEU A 20 7.369 -7.046 -0.303 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.393 -6.736 2.531 1.00 1.00 H new ATOM 0 HD22 LEU A 20 6.716 -6.381 2.051 1.00 1.00 H new ATOM 0 HD23 LEU A 20 7.039 -7.498 3.399 1.00 1.00 H new ATOM 319 N VAL A 21 3.795 -11.054 0.953 1.00 1.00 N ATOM 320 CA VAL A 21 2.872 -12.076 1.499 1.00 1.00 C ATOM 321 C VAL A 21 1.951 -12.661 0.419 1.00 1.00 C ATOM 322 O VAL A 21 1.571 -13.812 0.532 1.00 1.00 O ATOM 323 CB VAL A 21 2.041 -11.427 2.626 1.00 1.00 C ATOM 324 CG1 VAL A 21 2.899 -11.326 3.905 1.00 1.00 C ATOM 325 CG2 VAL A 21 1.531 -10.013 2.284 1.00 1.00 C ATOM 0 H VAL A 21 3.329 -10.200 0.645 1.00 1.00 H new ATOM 0 HA VAL A 21 3.459 -12.907 1.889 1.00 1.00 H new ATOM 0 HB VAL A 21 1.171 -12.068 2.767 1.00 1.00 H new ATOM 0 HG11 VAL A 21 2.313 -10.868 4.701 1.00 1.00 H new ATOM 0 HG12 VAL A 21 3.212 -12.324 4.213 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.779 -10.715 3.705 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.956 -9.621 3.123 1.00 1.00 H new ATOM 0 HG22 VAL A 21 2.380 -9.358 2.088 1.00 1.00 H new ATOM 0 HG23 VAL A 21 0.897 -10.059 1.399 1.00 1.00 H new ATOM 335 N GLY A 22 1.613 -11.882 -0.576 1.00 1.00 N ATOM 336 CA GLY A 22 0.724 -12.388 -1.659 1.00 1.00 C ATOM 337 C GLY A 22 -0.382 -11.444 -2.130 1.00 1.00 C ATOM 338 O GLY A 22 -0.798 -11.566 -3.267 1.00 1.00 O ATOM 0 H GLY A 22 1.917 -10.914 -0.684 1.00 1.00 H new ATOM 0 HA2 GLY A 22 1.344 -12.643 -2.518 1.00 1.00 H new ATOM 0 HA3 GLY A 22 0.260 -13.313 -1.316 1.00 1.00 H new ATOM 342 N LYS A 23 -0.841 -10.545 -1.291 1.00 1.00 N ATOM 343 CA LYS A 23 -1.937 -9.606 -1.715 1.00 1.00 C ATOM 344 C LYS A 23 -1.582 -8.115 -1.596 1.00 1.00 C ATOM 345 O LYS A 23 -1.017 -7.680 -0.611 1.00 1.00 O ATOM 346 CB LYS A 23 -3.192 -9.891 -0.858 1.00 1.00 C ATOM 347 CG LYS A 23 -3.682 -11.354 -1.034 1.00 1.00 C ATOM 348 CD LYS A 23 -4.160 -11.612 -2.484 1.00 1.00 C ATOM 349 CE LYS A 23 -4.653 -13.063 -2.608 1.00 1.00 C ATOM 350 NZ LYS A 23 -5.103 -13.330 -4.004 1.00 1.00 N ATOM 0 H LYS A 23 -0.508 -10.419 -0.335 1.00 1.00 H new ATOM 0 HA LYS A 23 -2.109 -9.793 -2.775 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -2.966 -9.706 0.192 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -3.989 -9.203 -1.139 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -2.875 -12.043 -0.786 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -4.497 -11.554 -0.338 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -4.962 -10.920 -2.743 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -3.345 -11.432 -3.185 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -3.853 -13.752 -2.337 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -5.474 -13.238 -1.913 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -5.435 -14.313 -4.080 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -5.879 -12.683 -4.248 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -4.309 -13.181 -4.659 1.00 1.00 H new ATOM 364 N ALA A 24 -1.934 -7.405 -2.644 1.00 1.00 N ATOM 365 CA ALA A 24 -1.703 -5.928 -2.766 1.00 1.00 C ATOM 366 C ALA A 24 -2.636 -5.123 -1.841 1.00 1.00 C ATOM 367 O ALA A 24 -3.513 -4.415 -2.300 1.00 1.00 O ATOM 368 CB ALA A 24 -1.915 -5.552 -4.248 1.00 1.00 C ATOM 0 H ALA A 24 -2.394 -7.812 -3.458 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.689 -5.681 -2.451 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -1.755 -4.482 -4.378 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -1.207 -6.102 -4.868 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -2.932 -5.806 -4.546 1.00 1.00 H new ATOM 374 N THR A 25 -2.415 -5.260 -0.560 1.00 1.00 N ATOM 375 CA THR A 25 -3.249 -4.543 0.450 1.00 1.00 C ATOM 376 C THR A 25 -2.353 -3.852 1.490 1.00 1.00 C ATOM 377 O THR A 25 -1.173 -3.662 1.277 1.00 1.00 O ATOM 378 CB THR A 25 -4.197 -5.609 1.090 1.00 1.00 C ATOM 379 OG1 THR A 25 -5.146 -4.941 1.911 1.00 1.00 O ATOM 380 CG2 THR A 25 -3.467 -6.592 2.032 1.00 1.00 C ATOM 0 H THR A 25 -1.681 -5.847 -0.165 1.00 1.00 H new ATOM 0 HA THR A 25 -3.844 -3.751 -0.005 1.00 1.00 H new ATOM 0 HB THR A 25 -4.637 -6.160 0.258 1.00 1.00 H new ATOM 0 HG1 THR A 25 -5.748 -5.599 2.317 1.00 1.00 H new ATOM 0 HG21 THR A 25 -4.184 -7.304 2.441 1.00 1.00 H new ATOM 0 HG22 THR A 25 -2.700 -7.129 1.474 1.00 1.00 H new ATOM 0 HG23 THR A 25 -3.001 -6.037 2.847 1.00 1.00 H new ATOM 388 N GLY A 26 -2.983 -3.503 2.578 1.00 1.00 N ATOM 389 CA GLY A 26 -2.302 -2.816 3.722 1.00 1.00 C ATOM 390 C GLY A 26 -2.800 -1.383 3.881 1.00 1.00 C ATOM 391 O GLY A 26 -3.703 -0.961 3.185 1.00 1.00 O ATOM 0 H GLY A 26 -3.978 -3.671 2.729 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -2.483 -3.371 4.643 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -1.224 -2.813 3.558 1.00 1.00 H new ATOM 395 N LYS A 27 -2.199 -0.680 4.809 1.00 1.00 N ATOM 396 CA LYS A 27 -2.593 0.727 5.048 1.00 1.00 C ATOM 397 C LYS A 27 -1.341 1.603 5.215 1.00 1.00 C ATOM 398 O LYS A 27 -0.232 1.115 5.309 1.00 1.00 O ATOM 399 CB LYS A 27 -3.504 0.771 6.288 1.00 1.00 C ATOM 400 CG LYS A 27 -2.762 0.626 7.604 1.00 1.00 C ATOM 401 CD LYS A 27 -3.821 0.691 8.712 1.00 1.00 C ATOM 402 CE LYS A 27 -3.180 1.232 9.969 1.00 1.00 C ATOM 403 NZ LYS A 27 -2.139 0.303 10.487 1.00 1.00 N ATOM 0 H LYS A 27 -1.451 -1.028 5.409 1.00 1.00 H new ATOM 0 HA LYS A 27 -3.146 1.125 4.197 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -4.049 1.715 6.292 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -4.245 -0.025 6.211 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -2.219 -0.319 7.641 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -2.026 1.421 7.724 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -4.649 1.330 8.405 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -4.235 -0.300 8.896 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -2.733 2.204 9.762 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -3.943 1.388 10.731 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -2.320 0.105 11.492 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -2.168 -0.586 9.948 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -1.201 0.740 10.383 1.00 1.00 H new ATOM 417 N CYS A 28 -1.591 2.888 5.258 1.00 1.00 N ATOM 418 CA CYS A 28 -0.508 3.908 5.414 1.00 1.00 C ATOM 419 C CYS A 28 -0.593 4.408 6.844 1.00 1.00 C ATOM 420 O CYS A 28 -1.557 5.027 7.252 1.00 1.00 O ATOM 421 CB CYS A 28 -0.773 5.017 4.434 1.00 1.00 C ATOM 422 SG CYS A 28 0.377 6.394 4.250 1.00 1.00 S ATOM 0 H CYS A 28 -2.529 3.283 5.189 1.00 1.00 H new ATOM 0 HA CYS A 28 0.487 3.507 5.220 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -0.878 4.556 3.452 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.743 5.444 4.691 1.00 1.00 H new ATOM 427 N THR A 29 0.447 4.096 7.541 1.00 1.00 N ATOM 428 CA THR A 29 0.555 4.490 8.985 1.00 1.00 C ATOM 429 C THR A 29 1.795 5.318 9.320 1.00 1.00 C ATOM 430 O THR A 29 2.910 4.858 9.182 1.00 1.00 O ATOM 431 CB THR A 29 0.575 3.225 9.812 1.00 1.00 C ATOM 432 OG1 THR A 29 -0.434 2.375 9.300 1.00 1.00 O ATOM 433 CG2 THR A 29 0.159 3.436 11.254 1.00 1.00 C ATOM 0 H THR A 29 1.247 3.577 7.179 1.00 1.00 H new ATOM 0 HA THR A 29 -0.302 5.125 9.208 1.00 1.00 H new ATOM 0 HB THR A 29 1.595 2.842 9.769 1.00 1.00 H new ATOM 0 HG1 THR A 29 -1.168 2.917 8.942 1.00 1.00 H new ATOM 0 HG21 THR A 29 0.197 2.486 11.786 1.00 1.00 H new ATOM 0 HG22 THR A 29 0.837 4.145 11.728 1.00 1.00 H new ATOM 0 HG23 THR A 29 -0.857 3.829 11.286 1.00 1.00 H new ATOM 441 N ASN A 30 1.530 6.514 9.779 1.00 1.00 N ATOM 442 CA ASN A 30 2.590 7.499 10.166 1.00 1.00 C ATOM 443 C ASN A 30 3.715 7.576 9.120 1.00 1.00 C ATOM 444 O ASN A 30 4.886 7.686 9.428 1.00 1.00 O ATOM 445 CB ASN A 30 3.155 7.085 11.547 1.00 1.00 C ATOM 446 CG ASN A 30 2.027 7.070 12.587 1.00 1.00 C ATOM 447 OD1 ASN A 30 1.386 8.069 12.845 1.00 1.00 O ATOM 448 ND2 ASN A 30 1.753 5.956 13.208 1.00 1.00 N ATOM 0 H ASN A 30 0.580 6.864 9.907 1.00 1.00 H new ATOM 0 HA ASN A 30 2.148 8.494 10.219 1.00 1.00 H new ATOM 0 HB2 ASN A 30 3.615 6.099 11.481 1.00 1.00 H new ATOM 0 HB3 ASN A 30 3.936 7.781 11.854 1.00 1.00 H new ATOM 0 HD21 ASN A 30 1.007 5.930 13.903 1.00 1.00 H new ATOM 0 HD22 ASN A 30 2.285 5.111 12.999 1.00 1.00 H new ATOM 455 N GLY A 31 3.273 7.510 7.893 1.00 1.00 N ATOM 456 CA GLY A 31 4.167 7.569 6.720 1.00 1.00 C ATOM 457 C GLY A 31 4.960 6.286 6.437 1.00 1.00 C ATOM 458 O GLY A 31 5.949 6.333 5.736 1.00 1.00 O ATOM 0 H GLY A 31 2.286 7.414 7.656 1.00 1.00 H new ATOM 0 HA2 GLY A 31 3.570 7.810 5.840 1.00 1.00 H new ATOM 0 HA3 GLY A 31 4.871 8.389 6.861 1.00 1.00 H new ATOM 462 N ARG A 32 4.518 5.195 6.992 1.00 1.00 N ATOM 463 CA ARG A 32 5.191 3.876 6.794 1.00 1.00 C ATOM 464 C ARG A 32 4.115 2.828 6.520 1.00 1.00 C ATOM 465 O ARG A 32 2.979 2.995 6.902 1.00 1.00 O ATOM 466 CB ARG A 32 5.916 3.437 8.036 1.00 1.00 C ATOM 467 CG ARG A 32 6.809 4.559 8.561 1.00 1.00 C ATOM 468 CD ARG A 32 7.348 4.138 9.915 1.00 1.00 C ATOM 469 NE ARG A 32 8.249 2.964 9.731 1.00 1.00 N ATOM 470 CZ ARG A 32 7.956 1.819 10.289 1.00 1.00 C ATOM 471 NH1 ARG A 32 8.223 1.646 11.555 1.00 1.00 N ATOM 472 NH2 ARG A 32 7.406 0.882 9.566 1.00 1.00 N ATOM 0 H ARG A 32 3.694 5.158 7.593 1.00 1.00 H new ATOM 0 HA ARG A 32 5.901 3.977 5.973 1.00 1.00 H new ATOM 0 HB2 ARG A 32 5.196 3.150 8.802 1.00 1.00 H new ATOM 0 HB3 ARG A 32 6.520 2.556 7.819 1.00 1.00 H new ATOM 0 HG2 ARG A 32 7.628 4.749 7.868 1.00 1.00 H new ATOM 0 HG3 ARG A 32 6.243 5.487 8.648 1.00 1.00 H new ATOM 0 HD2 ARG A 32 7.892 4.962 10.377 1.00 1.00 H new ATOM 0 HD3 ARG A 32 6.527 3.882 10.585 1.00 1.00 H new ATOM 0 HE ARG A 32 9.095 3.055 9.169 1.00 1.00 H new ATOM 0 HH11 ARG A 32 8.654 2.398 12.093 1.00 1.00 H new ATOM 0 HH12 ARG A 32 8.001 0.759 12.006 1.00 1.00 H new ATOM 0 HH21 ARG A 32 7.210 1.048 8.579 1.00 1.00 H new ATOM 0 HH22 ARG A 32 7.172 -0.017 9.988 1.00 1.00 H new ATOM 486 N CYS A 33 4.504 1.766 5.871 1.00 1.00 N ATOM 487 CA CYS A 33 3.523 0.691 5.555 1.00 1.00 C ATOM 488 C CYS A 33 3.068 -0.172 6.713 1.00 1.00 C ATOM 489 O CYS A 33 3.862 -0.561 7.549 1.00 1.00 O ATOM 490 CB CYS A 33 4.064 -0.284 4.567 1.00 1.00 C ATOM 491 SG CYS A 33 2.903 -1.456 3.838 1.00 1.00 S ATOM 0 H CYS A 33 5.456 1.596 5.547 1.00 1.00 H new ATOM 0 HA CYS A 33 2.681 1.278 5.189 1.00 1.00 H new ATOM 0 HB2 CYS A 33 4.528 0.279 3.757 1.00 1.00 H new ATOM 0 HB3 CYS A 33 4.856 -0.853 5.054 1.00 1.00 H new ATOM 496 N ASP A 34 1.794 -0.438 6.705 1.00 1.00 N ATOM 497 CA ASP A 34 1.174 -1.302 7.747 1.00 1.00 C ATOM 498 C ASP A 34 0.261 -2.323 7.061 1.00 1.00 C ATOM 499 O ASP A 34 -0.929 -2.124 6.975 1.00 1.00 O ATOM 500 CB ASP A 34 0.388 -0.424 8.725 1.00 1.00 C ATOM 501 CG ASP A 34 1.322 0.120 9.820 1.00 1.00 C ATOM 502 OD1 ASP A 34 2.356 0.665 9.465 1.00 1.00 O ATOM 503 OD2 ASP A 34 0.946 -0.029 10.969 1.00 1.00 O ATOM 0 H ASP A 34 1.141 -0.085 6.005 1.00 1.00 H new ATOM 0 HA ASP A 34 1.938 -1.839 8.309 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -0.077 0.404 8.189 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.417 -1.003 9.178 1.00 1.00 H new ATOM 508 N CYS A 35 0.852 -3.389 6.580 1.00 1.00 N ATOM 509 CA CYS A 35 0.059 -4.453 5.883 1.00 1.00 C ATOM 510 C CYS A 35 0.162 -5.795 6.639 1.00 1.00 C ATOM 511 O CYS A 35 0.621 -5.750 7.770 1.00 1.00 O ATOM 512 CB CYS A 35 0.603 -4.572 4.437 1.00 1.00 C ATOM 513 SG CYS A 35 -0.403 -5.493 3.253 1.00 1.00 S ATOM 514 OXT CYS A 35 -0.225 -6.797 6.058 1.00 1.00 O ATOM 0 H CYS A 35 1.854 -3.570 6.640 1.00 1.00 H new ATOM 0 HA CYS A 35 -0.998 -4.189 5.859 1.00 1.00 H new ATOM 0 HB2 CYS A 35 0.748 -3.565 4.046 1.00 1.00 H new ATOM 0 HB3 CYS A 35 1.586 -5.041 4.483 1.00 1.00 H new TER 519 CYS A 35