USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 281 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ 148:sc= -1.81 (180deg=-4.68!) USER MOD Single : A 4 ASN : amide:sc= -1.52! C(o=-1.5!,f=-7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 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 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -109:sc= -0.445 (180deg=-1.67!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -3.560 5.544 3.088 1.00 0.00 N ATOM 2 CA VAL A 1 -2.667 6.719 2.877 1.00 0.00 C ATOM 3 C VAL A 1 -1.256 6.256 2.506 1.00 0.00 C ATOM 4 O VAL A 1 -1.044 5.122 2.125 1.00 0.00 O ATOM 5 CB VAL A 1 -2.649 7.452 4.218 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.978 8.184 4.420 1.00 0.00 C ATOM 7 CG2 VAL A 1 -2.449 6.440 5.348 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.271 5.774 3.811 1.00 0.00 H new ATOM 0 H2 VAL A 1 -4.038 5.307 2.196 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.995 4.731 3.405 1.00 0.00 H new ATOM 0 HA VAL A 1 -3.017 7.357 2.066 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.833 8.174 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.964 8.706 5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -4.122 8.905 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.795 7.463 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -2.436 6.961 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -3.266 5.718 5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.503 5.918 5.206 1.00 0.00 H new ATOM 19 N PHE A 2 -0.289 7.127 2.615 1.00 0.00 N ATOM 20 CA PHE A 2 1.108 6.740 2.268 1.00 0.00 C ATOM 21 C PHE A 2 1.871 6.326 3.530 1.00 0.00 C ATOM 22 O PHE A 2 1.745 6.940 4.570 1.00 0.00 O ATOM 23 CB PHE A 2 1.730 8.000 1.660 1.00 0.00 C ATOM 24 CG PHE A 2 1.339 8.117 0.206 1.00 0.00 C ATOM 25 CD1 PHE A 2 0.131 7.571 -0.247 1.00 0.00 C ATOM 26 CD2 PHE A 2 2.186 8.779 -0.690 1.00 0.00 C ATOM 27 CE1 PHE A 2 -0.228 7.686 -1.594 1.00 0.00 C ATOM 28 CE2 PHE A 2 1.826 8.894 -2.038 1.00 0.00 C ATOM 29 CZ PHE A 2 0.619 8.348 -2.490 1.00 0.00 C ATOM 0 H PHE A 2 -0.407 8.090 2.930 1.00 0.00 H new ATOM 0 HA PHE A 2 1.142 5.894 1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.396 8.881 2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.815 7.961 1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.524 7.061 0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.117 9.201 -0.342 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.159 7.264 -1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 2 2.480 9.404 -2.730 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.341 8.438 -3.530 1.00 0.00 H new ATOM 39 N ILE A 3 2.664 5.294 3.446 1.00 0.00 N ATOM 40 CA ILE A 3 3.435 4.849 4.642 1.00 0.00 C ATOM 41 C ILE A 3 4.773 4.238 4.210 1.00 0.00 C ATOM 42 O ILE A 3 4.874 3.614 3.172 1.00 0.00 O ATOM 43 CB ILE A 3 2.554 3.799 5.319 1.00 0.00 C ATOM 44 CG1 ILE A 3 2.136 2.743 4.295 1.00 0.00 C ATOM 45 CG2 ILE A 3 1.305 4.475 5.890 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.187 1.741 4.955 1.00 0.00 C ATOM 0 H ILE A 3 2.812 4.740 2.603 1.00 0.00 H new ATOM 0 HA ILE A 3 3.667 5.675 5.315 1.00 0.00 H new ATOM 0 HB ILE A 3 3.113 3.322 6.124 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.646 3.219 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.015 2.227 3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.676 3.728 6.373 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.601 5.228 6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.748 4.952 5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.889 0.988 4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.693 1.257 5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.303 2.263 5.320 1.00 0.00 H new ATOM 58 N ASN A 4 5.801 4.417 4.995 1.00 0.00 N ATOM 59 CA ASN A 4 7.130 3.850 4.622 1.00 0.00 C ATOM 60 C ASN A 4 7.258 2.409 5.125 1.00 0.00 C ATOM 61 O ASN A 4 8.046 2.114 6.002 1.00 0.00 O ATOM 62 CB ASN A 4 8.152 4.754 5.313 1.00 0.00 C ATOM 63 CG ASN A 4 8.030 4.604 6.831 1.00 0.00 C ATOM 64 OD1 ASN A 4 7.040 4.100 7.325 1.00 0.00 O ATOM 65 ND2 ASN A 4 9.000 5.023 7.597 1.00 0.00 N ATOM 0 H ASN A 4 5.779 4.930 5.876 1.00 0.00 H new ATOM 0 HA ASN A 4 7.275 3.818 3.542 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.160 4.492 4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.986 5.792 5.026 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.927 4.928 8.610 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.831 5.446 7.183 1.00 0.00 H new ATOM 72 N ALA A 5 6.490 1.509 4.574 1.00 0.00 N ATOM 73 CA ALA A 5 6.570 0.086 5.018 1.00 0.00 C ATOM 74 C ALA A 5 7.535 -0.694 4.119 1.00 0.00 C ATOM 75 O ALA A 5 7.395 -1.885 3.932 1.00 0.00 O ATOM 76 CB ALA A 5 5.145 -0.452 4.879 1.00 0.00 C ATOM 0 H ALA A 5 5.811 1.696 3.836 1.00 0.00 H new ATOM 0 HA ALA A 5 6.942 -0.011 6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.119 -1.497 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.473 0.129 5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.826 -0.372 3.840 1.00 0.00 H new ATOM 82 N LYS A 6 8.513 -0.023 3.566 1.00 0.00 N ATOM 83 CA LYS A 6 9.502 -0.705 2.675 1.00 0.00 C ATOM 84 C LYS A 6 8.826 -1.788 1.837 1.00 0.00 C ATOM 85 O LYS A 6 9.289 -2.909 1.755 1.00 0.00 O ATOM 86 CB LYS A 6 10.530 -1.322 3.615 1.00 0.00 C ATOM 87 CG LYS A 6 9.855 -2.366 4.505 1.00 0.00 C ATOM 88 CD LYS A 6 10.925 -3.258 5.139 1.00 0.00 C ATOM 89 CE LYS A 6 11.216 -2.771 6.560 1.00 0.00 C ATOM 90 NZ LYS A 6 12.701 -2.667 6.634 1.00 0.00 N ATOM 0 H LYS A 6 8.671 0.977 3.694 1.00 0.00 H new ATOM 0 HA LYS A 6 9.957 -0.008 1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.332 -1.785 3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.986 -0.546 4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.268 -1.874 5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.164 -2.970 3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.585 -4.293 5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.836 -3.234 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.743 -1.808 6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.831 -3.469 7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.979 -2.338 7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.124 -3.600 6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.038 -1.990 5.920 1.00 0.00 H new ATOM 104 N CYS A 7 7.737 -1.457 1.215 1.00 0.00 N ATOM 105 CA CYS A 7 7.018 -2.459 0.375 1.00 0.00 C ATOM 106 C CYS A 7 7.981 -3.075 -0.643 1.00 0.00 C ATOM 107 O CYS A 7 8.794 -2.394 -1.234 1.00 0.00 O ATOM 108 CB CYS A 7 5.919 -1.667 -0.334 1.00 0.00 C ATOM 109 SG CYS A 7 6.669 -0.498 -1.495 1.00 0.00 S ATOM 0 H CYS A 7 7.307 -0.533 1.249 1.00 0.00 H new ATOM 0 HA CYS A 7 6.609 -3.279 0.965 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.252 -2.346 -0.865 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.313 -1.132 0.397 1.00 0.00 H new ATOM 114 N ARG A 8 7.897 -4.361 -0.852 1.00 0.00 N ATOM 115 CA ARG A 8 8.812 -5.017 -1.830 1.00 0.00 C ATOM 116 C ARG A 8 8.021 -5.530 -3.036 1.00 0.00 C ATOM 117 O ARG A 8 8.587 -5.941 -4.029 1.00 0.00 O ATOM 118 CB ARG A 8 9.440 -6.182 -1.064 1.00 0.00 C ATOM 119 CG ARG A 8 10.588 -5.662 -0.196 1.00 0.00 C ATOM 120 CD ARG A 8 11.758 -5.251 -1.090 1.00 0.00 C ATOM 121 NE ARG A 8 12.661 -6.435 -1.114 1.00 0.00 N ATOM 122 CZ ARG A 8 12.351 -7.481 -1.831 1.00 0.00 C ATOM 123 NH1 ARG A 8 12.639 -7.508 -3.103 1.00 0.00 N ATOM 124 NH2 ARG A 8 11.755 -8.499 -1.276 1.00 0.00 N ATOM 0 H ARG A 8 7.236 -4.985 -0.389 1.00 0.00 H new ATOM 0 HA ARG A 8 9.565 -4.330 -2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.690 -6.668 -0.440 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.809 -6.933 -1.762 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.253 -4.811 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.906 -6.433 0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.417 -4.995 -2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.269 -4.374 -0.693 1.00 0.00 H new ATOM 0 HE ARG A 8 13.523 -6.429 -0.569 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.106 -6.712 -3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.397 -8.325 -3.663 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.531 -8.478 -0.281 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.513 -9.316 -1.837 1.00 0.00 H new ATOM 138 N GLY A 9 6.718 -5.512 -2.961 1.00 0.00 N ATOM 139 CA GLY A 9 5.905 -6.002 -4.110 1.00 0.00 C ATOM 140 C GLY A 9 4.525 -5.343 -4.096 1.00 0.00 C ATOM 141 O GLY A 9 3.971 -5.050 -3.054 1.00 0.00 O ATOM 0 H GLY A 9 6.183 -5.181 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.414 -5.778 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.800 -7.086 -4.055 1.00 0.00 H new ATOM 145 N SER A 10 3.964 -5.112 -5.253 1.00 0.00 N ATOM 146 CA SER A 10 2.616 -4.478 -5.325 1.00 0.00 C ATOM 147 C SER A 10 1.544 -5.342 -4.630 1.00 0.00 C ATOM 148 O SER A 10 0.719 -4.813 -3.911 1.00 0.00 O ATOM 149 CB SER A 10 2.315 -4.347 -6.817 1.00 0.00 C ATOM 150 OG SER A 10 1.493 -3.207 -7.031 1.00 0.00 O ATOM 0 H SER A 10 4.384 -5.336 -6.155 1.00 0.00 H new ATOM 0 HA SER A 10 2.603 -3.515 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.243 -4.251 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.814 -5.245 -7.179 1.00 0.00 H new ATOM 0 HG SER A 10 1.299 -3.118 -7.988 1.00 0.00 H new ATOM 156 N PRO A 11 1.564 -6.639 -4.862 1.00 0.00 N ATOM 157 CA PRO A 11 0.553 -7.525 -4.236 1.00 0.00 C ATOM 158 C PRO A 11 0.654 -7.461 -2.710 1.00 0.00 C ATOM 159 O PRO A 11 -0.287 -7.764 -2.005 1.00 0.00 O ATOM 160 CB PRO A 11 0.930 -8.908 -4.770 1.00 0.00 C ATOM 161 CG PRO A 11 2.149 -8.763 -5.701 1.00 0.00 C ATOM 162 CD PRO A 11 2.573 -7.288 -5.737 1.00 0.00 C ATOM 0 HA PRO A 11 -0.476 -7.251 -4.470 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.163 -9.581 -3.945 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.091 -9.346 -5.311 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.971 -9.383 -5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.900 -9.109 -6.704 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.586 -7.148 -5.360 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.551 -6.885 -6.749 1.00 0.00 H new ATOM 170 N GLU A 12 1.782 -7.060 -2.196 1.00 0.00 N ATOM 171 CA GLU A 12 1.931 -6.963 -0.717 1.00 0.00 C ATOM 172 C GLU A 12 1.258 -5.682 -0.218 1.00 0.00 C ATOM 173 O GLU A 12 0.698 -5.638 0.861 1.00 0.00 O ATOM 174 CB GLU A 12 3.440 -6.913 -0.473 1.00 0.00 C ATOM 175 CG GLU A 12 3.728 -7.159 1.009 1.00 0.00 C ATOM 176 CD GLU A 12 5.018 -7.968 1.152 1.00 0.00 C ATOM 177 OE1 GLU A 12 4.951 -9.179 1.026 1.00 0.00 O ATOM 178 OE2 GLU A 12 6.051 -7.362 1.386 1.00 0.00 O ATOM 0 H GLU A 12 2.607 -6.795 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 12 1.467 -7.797 -0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.942 -7.665 -1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.836 -5.943 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.822 -6.209 1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.897 -7.696 1.467 1.00 0.00 H new ATOM 185 N CYS A 13 1.302 -4.640 -1.004 1.00 0.00 N ATOM 186 CA CYS A 13 0.660 -3.362 -0.586 1.00 0.00 C ATOM 187 C CYS A 13 -0.865 -3.506 -0.613 1.00 0.00 C ATOM 188 O CYS A 13 -1.573 -2.828 0.104 1.00 0.00 O ATOM 189 CB CYS A 13 1.121 -2.330 -1.617 1.00 0.00 C ATOM 190 SG CYS A 13 2.416 -1.291 -0.894 1.00 0.00 S ATOM 0 H CYS A 13 1.755 -4.619 -1.918 1.00 0.00 H new ATOM 0 HA CYS A 13 0.935 -3.073 0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.498 -2.833 -2.507 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.279 -1.714 -1.932 1.00 0.00 H new ATOM 195 N LEU A 14 -1.378 -4.385 -1.433 1.00 0.00 N ATOM 196 CA LEU A 14 -2.857 -4.565 -1.490 1.00 0.00 C ATOM 197 C LEU A 14 -3.393 -4.924 -0.099 1.00 0.00 C ATOM 198 O LEU A 14 -4.229 -4.220 0.433 1.00 0.00 O ATOM 199 CB LEU A 14 -3.089 -5.707 -2.481 1.00 0.00 C ATOM 200 CG LEU A 14 -3.754 -5.164 -3.747 1.00 0.00 C ATOM 201 CD1 LEU A 14 -4.994 -4.353 -3.367 1.00 0.00 C ATOM 202 CD2 LEU A 14 -2.764 -4.266 -4.495 1.00 0.00 C ATOM 0 H LEU A 14 -0.841 -4.982 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.374 -3.658 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.141 -6.182 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.719 -6.473 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.049 -5.995 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.467 -3.967 -4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.698 -4.992 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.702 -3.521 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.235 -3.878 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.470 -3.435 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.881 -4.845 -4.767 1.00 0.00 H new ATOM 214 N PRO A 15 -2.889 -6.000 0.464 1.00 0.00 N ATOM 215 CA PRO A 15 -3.329 -6.418 1.815 1.00 0.00 C ATOM 216 C PRO A 15 -3.011 -5.317 2.827 1.00 0.00 C ATOM 217 O PRO A 15 -3.798 -5.014 3.701 1.00 0.00 O ATOM 218 CB PRO A 15 -2.478 -7.663 2.079 1.00 0.00 C ATOM 219 CG PRO A 15 -1.571 -7.911 0.860 1.00 0.00 C ATOM 220 CD PRO A 15 -1.872 -6.847 -0.204 1.00 0.00 C ATOM 0 HA PRO A 15 -4.399 -6.609 1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.875 -7.525 2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.118 -8.527 2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.522 -7.865 1.154 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.745 -8.908 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.982 -6.277 -0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.254 -7.290 -1.124 1.00 0.00 H new ATOM 228 N LYS A 16 -1.857 -4.713 2.713 1.00 0.00 N ATOM 229 CA LYS A 16 -1.485 -3.628 3.664 1.00 0.00 C ATOM 230 C LYS A 16 -2.463 -2.457 3.535 1.00 0.00 C ATOM 231 O LYS A 16 -3.015 -1.987 4.510 1.00 0.00 O ATOM 232 CB LYS A 16 -0.077 -3.202 3.247 1.00 0.00 C ATOM 233 CG LYS A 16 0.924 -4.289 3.644 1.00 0.00 C ATOM 234 CD LYS A 16 0.784 -4.593 5.137 1.00 0.00 C ATOM 235 CE LYS A 16 2.173 -4.776 5.753 1.00 0.00 C ATOM 236 NZ LYS A 16 1.997 -5.822 6.798 1.00 0.00 N ATOM 0 H LYS A 16 -1.157 -4.925 2.002 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.519 -3.957 4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.040 -3.034 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.186 -2.259 3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.746 -5.192 3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.940 -3.961 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.257 -3.780 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.189 -5.495 5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.900 -5.087 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.539 -3.844 6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.908 -6.002 7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.305 -5.496 7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.655 -6.699 6.357 1.00 0.00 H new ATOM 250 N CYS A 17 -2.687 -1.986 2.338 1.00 0.00 N ATOM 251 CA CYS A 17 -3.634 -0.849 2.151 1.00 0.00 C ATOM 252 C CYS A 17 -4.989 -1.195 2.771 1.00 0.00 C ATOM 253 O CYS A 17 -5.658 -0.354 3.338 1.00 0.00 O ATOM 254 CB CYS A 17 -3.763 -0.682 0.636 1.00 0.00 C ATOM 255 SG CYS A 17 -2.239 0.038 -0.023 1.00 0.00 S ATOM 0 H CYS A 17 -2.256 -2.338 1.483 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.285 0.066 2.629 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.954 -1.648 0.168 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.612 -0.040 0.401 1.00 0.00 H new ATOM 260 N LYS A 18 -5.395 -2.432 2.674 1.00 0.00 N ATOM 261 CA LYS A 18 -6.701 -2.837 3.264 1.00 0.00 C ATOM 262 C LYS A 18 -6.630 -2.741 4.790 1.00 0.00 C ATOM 263 O LYS A 18 -7.464 -2.127 5.424 1.00 0.00 O ATOM 264 CB LYS A 18 -6.903 -4.287 2.822 1.00 0.00 C ATOM 265 CG LYS A 18 -8.377 -4.668 2.970 1.00 0.00 C ATOM 266 CD LYS A 18 -8.731 -4.760 4.456 1.00 0.00 C ATOM 267 CE LYS A 18 -9.745 -5.888 4.671 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.291 -5.671 6.043 1.00 0.00 N ATOM 0 H LYS A 18 -4.878 -3.179 2.211 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.523 -2.199 2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.588 -4.409 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.283 -4.951 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.007 -3.926 2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.568 -5.622 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.832 -4.947 5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.146 -3.813 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.537 -5.853 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.270 -6.865 4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.993 -6.408 6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.517 -5.717 6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.745 -4.736 6.092 1.00 0.00 H new ATOM 282 N GLU A 19 -5.632 -3.338 5.380 1.00 0.00 N ATOM 283 CA GLU A 19 -5.495 -3.277 6.863 1.00 0.00 C ATOM 284 C GLU A 19 -5.063 -1.868 7.285 1.00 0.00 C ATOM 285 O GLU A 19 -4.975 -1.561 8.458 1.00 0.00 O ATOM 286 CB GLU A 19 -4.412 -4.305 7.202 1.00 0.00 C ATOM 287 CG GLU A 19 -3.823 -4.004 8.584 1.00 0.00 C ATOM 288 CD GLU A 19 -4.944 -3.972 9.626 1.00 0.00 C ATOM 289 OE1 GLU A 19 -5.741 -4.895 9.636 1.00 0.00 O ATOM 290 OE2 GLU A 19 -4.985 -3.027 10.394 1.00 0.00 O ATOM 0 H GLU A 19 -4.904 -3.866 4.899 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.429 -3.492 7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.835 -5.310 7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.625 -4.280 6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.088 -4.763 8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.301 -3.047 8.567 1.00 0.00 H new ATOM 297 N ALA A 20 -4.791 -1.013 6.336 1.00 0.00 N ATOM 298 CA ALA A 20 -4.365 0.373 6.678 1.00 0.00 C ATOM 299 C ALA A 20 -5.592 1.262 6.902 1.00 0.00 C ATOM 300 O ALA A 20 -5.757 1.859 7.946 1.00 0.00 O ATOM 301 CB ALA A 20 -3.570 0.851 5.463 1.00 0.00 C ATOM 0 H ALA A 20 -4.846 -1.216 5.338 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.774 0.412 7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.219 1.868 5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.715 0.194 5.306 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.209 0.832 4.580 1.00 0.00 H new ATOM 307 N ILE A 21 -6.454 1.353 5.925 1.00 0.00 N ATOM 308 CA ILE A 21 -7.670 2.203 6.080 1.00 0.00 C ATOM 309 C ILE A 21 -8.936 1.341 6.007 1.00 0.00 C ATOM 310 O ILE A 21 -9.929 1.626 6.646 1.00 0.00 O ATOM 311 CB ILE A 21 -7.621 3.189 4.912 1.00 0.00 C ATOM 312 CG1 ILE A 21 -7.723 2.425 3.588 1.00 0.00 C ATOM 313 CG2 ILE A 21 -6.303 3.964 4.953 1.00 0.00 C ATOM 314 CD1 ILE A 21 -7.524 3.395 2.422 1.00 0.00 C ATOM 0 H ILE A 21 -6.369 0.876 5.027 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.693 2.715 7.042 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.456 3.885 4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.971 1.637 3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.696 1.940 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.268 4.667 4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.232 4.511 5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.469 3.267 4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.597 2.851 1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.293 4.167 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.541 3.859 2.498 1.00 0.00 H new ATOM 326 N GLY A 22 -8.908 0.286 5.237 1.00 0.00 N ATOM 327 CA GLY A 22 -10.114 -0.590 5.137 1.00 0.00 C ATOM 328 C GLY A 22 -10.498 -0.797 3.669 1.00 0.00 C ATOM 329 O GLY A 22 -11.600 -1.210 3.362 1.00 0.00 O ATOM 0 H GLY A 22 -8.108 -0.007 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.913 -1.553 5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.946 -0.139 5.678 1.00 0.00 H new ATOM 333 N LYS A 23 -9.606 -0.521 2.757 1.00 0.00 N ATOM 334 CA LYS A 23 -9.934 -0.711 1.313 1.00 0.00 C ATOM 335 C LYS A 23 -8.694 -1.187 0.551 1.00 0.00 C ATOM 336 O LYS A 23 -7.650 -0.567 0.596 1.00 0.00 O ATOM 337 CB LYS A 23 -10.375 0.668 0.819 1.00 0.00 C ATOM 338 CG LYS A 23 -10.968 0.543 -0.586 1.00 0.00 C ATOM 339 CD LYS A 23 -12.335 -0.139 -0.510 1.00 0.00 C ATOM 340 CE LYS A 23 -12.652 -0.799 -1.855 1.00 0.00 C ATOM 341 NZ LYS A 23 -14.066 -1.252 -1.738 1.00 0.00 N ATOM 0 H LYS A 23 -8.666 -0.173 2.947 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.709 -1.462 1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.113 1.091 1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.525 1.350 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.068 1.530 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.298 -0.034 -1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.337 -0.887 0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.105 0.592 -0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.530 -0.095 -2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.984 -1.638 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.356 -1.715 -2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.151 -1.926 -0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.680 -0.432 -1.559 1.00 0.00 H new ATOM 355 N ALA A 24 -8.798 -2.286 -0.147 1.00 0.00 N ATOM 356 CA ALA A 24 -7.624 -2.800 -0.907 1.00 0.00 C ATOM 357 C ALA A 24 -7.351 -1.919 -2.130 1.00 0.00 C ATOM 358 O ALA A 24 -7.741 -2.238 -3.236 1.00 0.00 O ATOM 359 CB ALA A 24 -8.020 -4.210 -1.345 1.00 0.00 C ATOM 0 H ALA A 24 -9.645 -2.849 -0.223 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.715 -2.798 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.204 -4.657 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.227 -4.820 -0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.912 -4.160 -1.970 1.00 0.00 H new ATOM 365 N ALA A 25 -6.684 -0.812 -1.942 1.00 0.00 N ATOM 366 CA ALA A 25 -6.387 0.084 -3.097 1.00 0.00 C ATOM 367 C ALA A 25 -5.037 0.780 -2.896 1.00 0.00 C ATOM 368 O ALA A 25 -4.840 1.510 -1.946 1.00 0.00 O ATOM 369 CB ALA A 25 -7.521 1.109 -3.105 1.00 0.00 C ATOM 0 H ALA A 25 -6.332 -0.490 -1.040 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.325 -0.464 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.375 1.807 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.475 0.596 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.524 1.656 -2.162 1.00 0.00 H new ATOM 375 N GLY A 26 -4.108 0.561 -3.787 1.00 0.00 N ATOM 376 CA GLY A 26 -2.772 1.210 -3.649 1.00 0.00 C ATOM 377 C GLY A 26 -1.702 0.316 -4.278 1.00 0.00 C ATOM 378 O GLY A 26 -1.984 -0.764 -4.755 1.00 0.00 O ATOM 0 H GLY A 26 -4.216 -0.039 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.778 2.185 -4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.546 1.380 -2.596 1.00 0.00 H new ATOM 382 N LYS A 27 -0.472 0.757 -4.280 1.00 0.00 N ATOM 383 CA LYS A 27 0.616 -0.070 -4.875 1.00 0.00 C ATOM 384 C LYS A 27 1.931 0.176 -4.133 1.00 0.00 C ATOM 385 O LYS A 27 1.960 0.807 -3.094 1.00 0.00 O ATOM 386 CB LYS A 27 0.720 0.396 -6.328 1.00 0.00 C ATOM 387 CG LYS A 27 -0.522 -0.058 -7.099 1.00 0.00 C ATOM 388 CD LYS A 27 -1.589 1.036 -7.039 1.00 0.00 C ATOM 389 CE LYS A 27 -1.791 1.629 -8.435 1.00 0.00 C ATOM 390 NZ LYS A 27 -1.402 3.061 -8.306 1.00 0.00 N ATOM 0 H LYS A 27 -0.175 1.654 -3.895 1.00 0.00 H new ATOM 0 HA LYS A 27 0.409 -1.138 -4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.809 1.482 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.618 -0.015 -6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.262 -0.270 -8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.910 -0.983 -6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.527 0.624 -6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.286 1.816 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.174 1.118 -9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.827 1.529 -8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.514 3.535 -9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.010 3.524 -7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.409 3.125 -8.002 1.00 0.00 H new ATOM 404 N CYS A 28 3.021 -0.318 -4.653 1.00 0.00 N ATOM 405 CA CYS A 28 4.330 -0.111 -3.971 1.00 0.00 C ATOM 406 C CYS A 28 5.290 0.654 -4.888 1.00 0.00 C ATOM 407 O CYS A 28 5.445 0.331 -6.049 1.00 0.00 O ATOM 408 CB CYS A 28 4.852 -1.523 -3.692 1.00 0.00 C ATOM 409 SG CYS A 28 6.613 -1.455 -3.273 1.00 0.00 S ATOM 0 H CYS A 28 3.062 -0.855 -5.519 1.00 0.00 H new ATOM 0 HA CYS A 28 4.237 0.476 -3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.291 -1.973 -2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.701 -2.156 -4.567 1.00 0.00 H new ATOM 414 N MET A 29 5.935 1.665 -4.374 1.00 0.00 N ATOM 415 CA MET A 29 6.884 2.451 -5.214 1.00 0.00 C ATOM 416 C MET A 29 8.011 3.016 -4.346 1.00 0.00 C ATOM 417 O MET A 29 7.800 3.397 -3.211 1.00 0.00 O ATOM 418 CB MET A 29 6.047 3.585 -5.807 1.00 0.00 C ATOM 419 CG MET A 29 6.956 4.539 -6.583 1.00 0.00 C ATOM 420 SD MET A 29 7.013 4.038 -8.321 1.00 0.00 S ATOM 421 CE MET A 29 8.125 5.344 -8.896 1.00 0.00 C ATOM 0 H MET A 29 5.846 1.981 -3.408 1.00 0.00 H new ATOM 0 HA MET A 29 7.351 1.842 -5.988 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.281 3.179 -6.467 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.530 4.124 -5.013 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.585 5.560 -6.500 1.00 0.00 H new ATOM 0 HG3 MET A 29 7.959 4.529 -6.157 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.302 5.227 -9.965 1.00 0.00 H new ATOM 0 HE2 MET A 29 7.671 6.317 -8.708 1.00 0.00 H new ATOM 0 HE3 MET A 29 9.073 5.276 -8.362 1.00 0.00 H new ATOM 431 N ASN A 30 9.205 3.076 -4.868 1.00 0.00 N ATOM 432 CA ASN A 30 10.339 3.618 -4.068 1.00 0.00 C ATOM 433 C ASN A 30 10.386 2.938 -2.698 1.00 0.00 C ATOM 434 O ASN A 30 10.804 3.522 -1.717 1.00 0.00 O ATOM 435 CB ASN A 30 10.042 5.111 -3.920 1.00 0.00 C ATOM 436 CG ASN A 30 11.252 5.920 -4.392 1.00 0.00 C ATOM 437 OD1 ASN A 30 11.655 5.820 -5.534 1.00 0.00 O ATOM 438 ND2 ASN A 30 11.853 6.721 -3.556 1.00 0.00 N ATOM 0 H ASN A 30 9.444 2.774 -5.812 1.00 0.00 H new ATOM 0 HA ASN A 30 11.304 3.443 -4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.162 5.378 -4.505 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.817 5.347 -2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.661 7.263 -3.861 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.515 6.805 -2.597 1.00 0.00 H new ATOM 445 N GLY A 31 9.959 1.709 -2.625 1.00 0.00 N ATOM 446 CA GLY A 31 9.978 0.990 -1.319 1.00 0.00 C ATOM 447 C GLY A 31 8.913 1.583 -0.395 1.00 0.00 C ATOM 448 O GLY A 31 9.013 1.504 0.813 1.00 0.00 O ATOM 0 H GLY A 31 9.598 1.170 -3.412 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.790 -0.072 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.962 1.076 -0.859 1.00 0.00 H new ATOM 452 N LYS A 32 7.894 2.177 -0.953 1.00 0.00 N ATOM 453 CA LYS A 32 6.822 2.775 -0.106 1.00 0.00 C ATOM 454 C LYS A 32 5.449 2.256 -0.542 1.00 0.00 C ATOM 455 O LYS A 32 5.258 1.846 -1.670 1.00 0.00 O ATOM 456 CB LYS A 32 6.923 4.283 -0.339 1.00 0.00 C ATOM 457 CG LYS A 32 7.935 4.887 0.637 1.00 0.00 C ATOM 458 CD LYS A 32 7.551 6.336 0.943 1.00 0.00 C ATOM 459 CE LYS A 32 7.725 6.610 2.439 1.00 0.00 C ATOM 460 NZ LYS A 32 8.396 7.937 2.512 1.00 0.00 N ATOM 0 H LYS A 32 7.757 2.274 -1.959 1.00 0.00 H new ATOM 0 HA LYS A 32 6.939 2.517 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.229 4.483 -1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.947 4.749 -0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.960 4.304 1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.936 4.848 0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.174 7.018 0.364 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.518 6.519 0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.763 6.625 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.328 5.836 2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.549 8.194 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.312 7.890 2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.796 8.655 2.058 1.00 0.00 H new ATOM 474 N CYS A 33 4.491 2.268 0.344 1.00 0.00 N ATOM 475 CA CYS A 33 3.131 1.772 -0.017 1.00 0.00 C ATOM 476 C CYS A 33 2.164 2.946 -0.197 1.00 0.00 C ATOM 477 O CYS A 33 1.974 3.750 0.695 1.00 0.00 O ATOM 478 CB CYS A 33 2.704 0.906 1.167 1.00 0.00 C ATOM 479 SG CYS A 33 1.489 -0.316 0.613 1.00 0.00 S ATOM 0 H CYS A 33 4.591 2.600 1.303 1.00 0.00 H new ATOM 0 HA CYS A 33 3.130 1.217 -0.955 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.571 0.404 1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.277 1.530 1.952 1.00 0.00 H new ATOM 484 N LYS A 34 1.550 3.049 -1.345 1.00 0.00 N ATOM 485 CA LYS A 34 0.592 4.168 -1.585 1.00 0.00 C ATOM 486 C LYS A 34 -0.841 3.629 -1.639 1.00 0.00 C ATOM 487 O LYS A 34 -1.245 3.006 -2.601 1.00 0.00 O ATOM 488 CB LYS A 34 1.000 4.753 -2.938 1.00 0.00 C ATOM 489 CG LYS A 34 2.386 5.390 -2.820 1.00 0.00 C ATOM 490 CD LYS A 34 3.058 5.414 -4.194 1.00 0.00 C ATOM 491 CE LYS A 34 2.107 6.037 -5.217 1.00 0.00 C ATOM 492 NZ LYS A 34 1.591 4.888 -6.011 1.00 0.00 N ATOM 0 H LYS A 34 1.670 2.406 -2.128 1.00 0.00 H new ATOM 0 HA LYS A 34 0.620 4.917 -0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.011 3.970 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.272 5.498 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.299 6.404 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.997 4.827 -2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.984 5.986 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.324 4.402 -4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.295 6.574 -4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.626 6.755 -5.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.998 4.916 -6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.859 3.997 -5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.555 4.947 -6.074 1.00 0.00 H new ATOM 506 N CYS A 35 -1.612 3.860 -0.611 1.00 0.00 N ATOM 507 CA CYS A 35 -3.016 3.355 -0.603 1.00 0.00 C ATOM 508 C CYS A 35 -3.999 4.500 -0.862 1.00 0.00 C ATOM 509 O CYS A 35 -3.737 5.642 -0.541 1.00 0.00 O ATOM 510 CB CYS A 35 -3.220 2.779 0.797 1.00 0.00 C ATOM 511 SG CYS A 35 -1.880 1.623 1.176 1.00 0.00 S ATOM 0 H CYS A 35 -1.331 4.376 0.223 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.189 2.611 -1.381 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.240 3.583 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.182 2.269 0.855 1.00 0.00 H new ATOM 516 N TYR A 36 -5.132 4.200 -1.437 1.00 0.00 N ATOM 517 CA TYR A 36 -6.137 5.267 -1.714 1.00 0.00 C ATOM 518 C TYR A 36 -7.489 4.887 -1.097 1.00 0.00 C ATOM 519 O TYR A 36 -7.741 3.729 -0.831 1.00 0.00 O ATOM 520 CB TYR A 36 -6.235 5.330 -3.238 1.00 0.00 C ATOM 521 CG TYR A 36 -5.106 6.174 -3.779 1.00 0.00 C ATOM 522 CD1 TYR A 36 -5.190 7.570 -3.728 1.00 0.00 C ATOM 523 CD2 TYR A 36 -3.973 5.560 -4.327 1.00 0.00 C ATOM 524 CE1 TYR A 36 -4.142 8.353 -4.227 1.00 0.00 C ATOM 525 CE2 TYR A 36 -2.925 6.344 -4.824 1.00 0.00 C ATOM 526 CZ TYR A 36 -3.009 7.740 -4.775 1.00 0.00 C ATOM 527 OH TYR A 36 -1.976 8.512 -5.265 1.00 0.00 O ATOM 0 H TYR A 36 -5.406 3.261 -1.727 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.853 6.229 -1.287 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.186 4.325 -3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.195 5.753 -3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.063 8.043 -3.304 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.908 4.483 -4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.208 9.430 -4.189 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.051 5.871 -5.246 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.267 7.929 -5.608 1.00 0.00 H new ATOM 537 N PRO A 37 -8.319 5.880 -0.884 1.00 0.00 N ATOM 538 CA PRO A 37 -9.655 5.643 -0.287 1.00 0.00 C ATOM 539 C PRO A 37 -10.492 4.728 -1.186 1.00 0.00 C ATOM 540 O PRO A 37 -10.617 5.037 -2.360 1.00 0.00 O ATOM 541 CB PRO A 37 -10.252 7.053 -0.227 1.00 0.00 C ATOM 542 CG PRO A 37 -9.227 8.050 -0.800 1.00 0.00 C ATOM 543 CD PRO A 37 -7.970 7.279 -1.225 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.993 3.735 -0.686 1.00 0.00 O ATOM 0 HA PRO A 37 -9.619 5.150 0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.179 7.095 -0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.499 7.315 0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.652 8.579 -1.653 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.974 8.802 -0.053 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.762 7.397 -2.288 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.085 7.619 -0.687 1.00 0.00 H new TER 552 PRO A 37