USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 261 hydrogens (2 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 19 SER OG : rot 180:sc= -0.0116 USER MOD Set 1.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLU N :NH3+ 156:sc= 0.0426 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.179) USER MOD Single : A 10 ASN : amide:sc= -0.0439 X(o=-0.044,f=-0.26) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.2!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0344 K(o=-0.034,f=-2.8!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.584 X(o=-0.58,f=-0.41) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 10.769 7.542 2.716 1.00 0.00 N ATOM 2 CA GLU A 1 9.664 8.432 2.243 1.00 0.00 C ATOM 3 C GLU A 1 8.523 7.592 1.646 1.00 0.00 C ATOM 4 O GLU A 1 8.195 7.710 0.480 1.00 0.00 O ATOM 5 CB GLU A 1 10.300 9.328 1.172 1.00 0.00 C ATOM 6 CG GLU A 1 10.981 10.528 1.839 1.00 0.00 C ATOM 7 CD GLU A 1 12.497 10.433 1.642 1.00 0.00 C ATOM 8 OE1 GLU A 1 13.143 9.796 2.458 1.00 0.00 O ATOM 9 OE2 GLU A 1 12.986 10.999 0.678 1.00 0.00 O ATOM 0 H1 GLU A 1 11.661 8.076 2.733 1.00 0.00 H new ATOM 0 H2 GLU A 1 10.553 7.199 3.674 1.00 0.00 H new ATOM 0 H3 GLU A 1 10.862 6.732 2.071 1.00 0.00 H new ATOM 0 HA GLU A 1 9.231 9.019 3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 1 11.029 8.759 0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 1 9.538 9.673 0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 1 10.606 11.457 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 1 10.743 10.549 2.902 1.00 0.00 H new ATOM 18 N CYS A 2 7.916 6.747 2.444 1.00 0.00 N ATOM 19 CA CYS A 2 6.795 5.897 1.933 1.00 0.00 C ATOM 20 C CYS A 2 5.915 5.413 3.093 1.00 0.00 C ATOM 21 O CYS A 2 6.257 5.563 4.252 1.00 0.00 O ATOM 22 CB CYS A 2 7.470 4.711 1.237 1.00 0.00 C ATOM 23 SG CYS A 2 8.592 3.873 2.389 1.00 0.00 S ATOM 0 H CYS A 2 8.149 6.609 3.428 1.00 0.00 H new ATOM 0 HA CYS A 2 6.144 6.448 1.254 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.715 4.012 0.878 1.00 0.00 H new ATOM 0 HB3 CYS A 2 8.024 5.058 0.364 1.00 0.00 H new ATOM 28 N LEU A 3 4.782 4.833 2.784 1.00 0.00 N ATOM 29 CA LEU A 3 3.869 4.335 3.859 1.00 0.00 C ATOM 30 C LEU A 3 4.240 2.897 4.241 1.00 0.00 C ATOM 31 O LEU A 3 4.440 2.052 3.388 1.00 0.00 O ATOM 32 CB LEU A 3 2.464 4.392 3.252 1.00 0.00 C ATOM 33 CG LEU A 3 2.056 5.852 3.025 1.00 0.00 C ATOM 34 CD1 LEU A 3 1.073 5.936 1.855 1.00 0.00 C ATOM 35 CD2 LEU A 3 1.389 6.401 4.290 1.00 0.00 C ATOM 0 H LEU A 3 4.449 4.683 1.832 1.00 0.00 H new ATOM 0 HA LEU A 3 3.937 4.931 4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.443 3.848 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.751 3.904 3.916 1.00 0.00 H new ATOM 0 HG LEU A 3 2.944 6.442 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.785 6.975 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.547 5.549 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.186 5.344 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.099 7.439 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.503 5.809 4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.089 6.346 5.124 1.00 0.00 H new ATOM 47 N GLY A 4 4.337 2.619 5.519 1.00 0.00 N ATOM 48 CA GLY A 4 4.703 1.241 5.972 1.00 0.00 C ATOM 49 C GLY A 4 3.537 0.274 5.735 1.00 0.00 C ATOM 50 O GLY A 4 2.506 0.643 5.205 1.00 0.00 O ATOM 0 H GLY A 4 4.178 3.290 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.585 0.896 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.962 1.256 7.031 1.00 0.00 H new ATOM 54 N PHE A 5 3.701 -0.967 6.127 1.00 0.00 N ATOM 55 CA PHE A 5 2.613 -1.976 5.930 1.00 0.00 C ATOM 56 C PHE A 5 1.410 -1.649 6.825 1.00 0.00 C ATOM 57 O PHE A 5 1.563 -1.237 7.961 1.00 0.00 O ATOM 58 CB PHE A 5 3.238 -3.319 6.332 1.00 0.00 C ATOM 59 CG PHE A 5 2.191 -4.410 6.286 1.00 0.00 C ATOM 60 CD1 PHE A 5 1.954 -5.105 5.094 1.00 0.00 C ATOM 61 CD2 PHE A 5 1.459 -4.727 7.437 1.00 0.00 C ATOM 62 CE1 PHE A 5 0.987 -6.116 5.053 1.00 0.00 C ATOM 63 CE2 PHE A 5 0.492 -5.738 7.396 1.00 0.00 C ATOM 64 CZ PHE A 5 0.256 -6.432 6.204 1.00 0.00 C ATOM 0 H PHE A 5 4.544 -1.325 6.576 1.00 0.00 H new ATOM 0 HA PHE A 5 2.245 -1.989 4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.060 -3.563 5.659 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.658 -3.248 7.335 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.518 -4.861 4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.641 -4.191 8.357 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.805 -6.652 4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.072 -5.982 8.284 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.491 -7.212 6.172 1.00 0.00 H new ATOM 74 N GLY A 6 0.217 -1.839 6.317 1.00 0.00 N ATOM 75 CA GLY A 6 -1.008 -1.551 7.123 1.00 0.00 C ATOM 76 C GLY A 6 -1.116 -0.047 7.403 1.00 0.00 C ATOM 77 O GLY A 6 -1.532 0.361 8.471 1.00 0.00 O ATOM 0 H GLY A 6 0.039 -2.183 5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.893 -1.893 6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.972 -2.102 8.063 1.00 0.00 H new ATOM 81 N LYS A 7 -0.749 0.779 6.451 1.00 0.00 N ATOM 82 CA LYS A 7 -0.832 2.258 6.659 1.00 0.00 C ATOM 83 C LYS A 7 -1.901 2.859 5.737 1.00 0.00 C ATOM 84 O LYS A 7 -1.960 2.548 4.563 1.00 0.00 O ATOM 85 CB LYS A 7 0.560 2.785 6.299 1.00 0.00 C ATOM 86 CG LYS A 7 0.670 4.270 6.665 1.00 0.00 C ATOM 87 CD LYS A 7 0.537 4.453 8.183 1.00 0.00 C ATOM 88 CE LYS A 7 1.747 3.833 8.895 1.00 0.00 C ATOM 89 NZ LYS A 7 2.845 4.831 8.747 1.00 0.00 N ATOM 0 H LYS A 7 -0.395 0.491 5.539 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.112 2.522 7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.322 2.214 6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.744 2.650 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.628 4.666 6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.108 4.837 6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.467 5.513 8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.382 3.984 8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.529 3.641 9.946 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.020 2.878 8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.709 4.351 8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.567 5.552 8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.026 5.287 9.664 1.00 0.00 H new ATOM 103 N GLY A 8 -2.745 3.712 6.268 1.00 0.00 N ATOM 104 CA GLY A 8 -3.823 4.339 5.439 1.00 0.00 C ATOM 105 C GLY A 8 -3.210 5.063 4.235 1.00 0.00 C ATOM 106 O GLY A 8 -2.482 6.026 4.384 1.00 0.00 O ATOM 0 H GLY A 8 -2.733 4.002 7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.520 3.574 5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.394 5.043 6.044 1.00 0.00 H new ATOM 110 N CYS A 9 -3.505 4.602 3.044 1.00 0.00 N ATOM 111 CA CYS A 9 -2.948 5.255 1.819 1.00 0.00 C ATOM 112 C CYS A 9 -4.036 5.391 0.742 1.00 0.00 C ATOM 113 O CYS A 9 -5.163 4.969 0.928 1.00 0.00 O ATOM 114 CB CYS A 9 -1.822 4.325 1.353 1.00 0.00 C ATOM 115 SG CYS A 9 -2.523 2.873 0.530 1.00 0.00 S ATOM 0 H CYS A 9 -4.109 3.799 2.867 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.583 6.263 2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.159 4.856 0.670 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.219 4.014 2.206 1.00 0.00 H new ATOM 120 N ASN A 10 -3.705 5.982 -0.381 1.00 0.00 N ATOM 121 CA ASN A 10 -4.715 6.154 -1.472 1.00 0.00 C ATOM 122 C ASN A 10 -4.468 5.136 -2.595 1.00 0.00 C ATOM 123 O ASN A 10 -3.337 4.918 -2.989 1.00 0.00 O ATOM 124 CB ASN A 10 -4.498 7.583 -1.985 1.00 0.00 C ATOM 125 CG ASN A 10 -5.834 8.333 -2.020 1.00 0.00 C ATOM 126 OD1 ASN A 10 -6.601 8.279 -1.079 1.00 0.00 O ATOM 127 ND2 ASN A 10 -6.144 9.043 -3.073 1.00 0.00 N ATOM 0 H ASN A 10 -2.778 6.353 -0.589 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.734 5.993 -1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.793 8.107 -1.339 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.059 7.558 -2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.028 9.550 -3.104 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.502 9.090 -3.864 1.00 0.00 H new ATOM 134 N PRO A 11 -5.539 4.546 -3.083 1.00 0.00 N ATOM 135 CA PRO A 11 -5.427 3.544 -4.179 1.00 0.00 C ATOM 136 C PRO A 11 -5.005 4.228 -5.488 1.00 0.00 C ATOM 137 O PRO A 11 -4.189 3.711 -6.228 1.00 0.00 O ATOM 138 CB PRO A 11 -6.837 2.964 -4.282 1.00 0.00 C ATOM 139 CG PRO A 11 -7.730 4.028 -3.730 1.00 0.00 C ATOM 140 CD PRO A 11 -6.937 4.753 -2.674 1.00 0.00 C ATOM 0 HA PRO A 11 -4.676 2.777 -3.988 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.093 2.729 -5.315 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.926 2.038 -3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.046 4.714 -4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.634 3.592 -3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.191 5.812 -2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.128 4.347 -1.681 1.00 0.00 H new ATOM 148 N SER A 12 -5.541 5.393 -5.767 1.00 0.00 N ATOM 149 CA SER A 12 -5.156 6.121 -7.016 1.00 0.00 C ATOM 150 C SER A 12 -3.740 6.695 -6.867 1.00 0.00 C ATOM 151 O SER A 12 -2.977 6.735 -7.813 1.00 0.00 O ATOM 152 CB SER A 12 -6.184 7.246 -7.161 1.00 0.00 C ATOM 153 OG SER A 12 -7.410 6.704 -7.634 1.00 0.00 O ATOM 0 H SER A 12 -6.228 5.870 -5.183 1.00 0.00 H new ATOM 0 HA SER A 12 -5.149 5.471 -7.891 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.338 7.740 -6.201 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.816 8.003 -7.854 1.00 0.00 H new ATOM 0 HG SER A 12 -8.071 7.422 -7.726 1.00 0.00 H new ATOM 159 N ASN A 13 -3.385 7.126 -5.678 1.00 0.00 N ATOM 160 CA ASN A 13 -2.017 7.685 -5.450 1.00 0.00 C ATOM 161 C ASN A 13 -1.217 6.723 -4.562 1.00 0.00 C ATOM 162 O ASN A 13 -0.930 7.009 -3.413 1.00 0.00 O ATOM 163 CB ASN A 13 -2.242 9.029 -4.745 1.00 0.00 C ATOM 164 CG ASN A 13 -2.817 10.049 -5.736 1.00 0.00 C ATOM 165 OD1 ASN A 13 -2.551 9.983 -6.921 1.00 0.00 O ATOM 166 ND2 ASN A 13 -3.597 10.999 -5.298 1.00 0.00 N ATOM 0 H ASN A 13 -3.987 7.114 -4.855 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.454 7.815 -6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.925 8.899 -3.906 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.301 9.397 -4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.982 11.684 -5.949 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.822 11.057 -4.305 1.00 0.00 H new ATOM 173 N ASP A 14 -0.871 5.575 -5.094 1.00 0.00 N ATOM 174 CA ASP A 14 -0.099 4.562 -4.303 1.00 0.00 C ATOM 175 C ASP A 14 1.211 5.164 -3.777 1.00 0.00 C ATOM 176 O ASP A 14 2.075 5.553 -4.540 1.00 0.00 O ATOM 177 CB ASP A 14 0.193 3.429 -5.293 1.00 0.00 C ATOM 178 CG ASP A 14 0.334 2.105 -4.538 1.00 0.00 C ATOM 179 OD1 ASP A 14 1.312 1.952 -3.821 1.00 0.00 O ATOM 180 OD2 ASP A 14 -0.536 1.265 -4.692 1.00 0.00 O ATOM 0 H ASP A 14 -1.092 5.294 -6.049 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.655 4.217 -3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.611 3.357 -6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.108 3.643 -5.845 1.00 0.00 H new ATOM 185 N GLN A 15 1.361 5.239 -2.476 1.00 0.00 N ATOM 186 CA GLN A 15 2.615 5.810 -1.891 1.00 0.00 C ATOM 187 C GLN A 15 3.180 4.865 -0.818 1.00 0.00 C ATOM 188 O GLN A 15 3.710 5.300 0.187 1.00 0.00 O ATOM 189 CB GLN A 15 2.189 7.147 -1.274 1.00 0.00 C ATOM 190 CG GLN A 15 2.128 8.220 -2.364 1.00 0.00 C ATOM 191 CD GLN A 15 1.348 9.433 -1.848 1.00 0.00 C ATOM 192 OE1 GLN A 15 0.184 9.596 -2.157 1.00 0.00 O ATOM 193 NE2 GLN A 15 1.944 10.296 -1.070 1.00 0.00 N ATOM 0 H GLN A 15 0.669 4.929 -1.794 1.00 0.00 H new ATOM 0 HA GLN A 15 3.400 5.940 -2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.215 7.044 -0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.895 7.442 -0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.136 8.519 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.648 7.819 -3.257 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.921 10.159 -0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.433 11.107 -0.722 1.00 0.00 H new ATOM 202 N CYS A 16 3.073 3.573 -1.029 1.00 0.00 N ATOM 203 CA CYS A 16 3.604 2.596 -0.025 1.00 0.00 C ATOM 204 C CYS A 16 5.108 2.375 -0.234 1.00 0.00 C ATOM 205 O CYS A 16 5.674 2.795 -1.227 1.00 0.00 O ATOM 206 CB CYS A 16 2.829 1.301 -0.282 1.00 0.00 C ATOM 207 SG CYS A 16 1.064 1.581 0.009 1.00 0.00 S ATOM 0 H CYS A 16 2.641 3.154 -1.853 1.00 0.00 H new ATOM 0 HA CYS A 16 3.479 2.951 0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.990 0.966 -1.307 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.195 0.510 0.373 1.00 0.00 H new ATOM 212 N CYS A 17 5.759 1.718 0.697 1.00 0.00 N ATOM 213 CA CYS A 17 7.230 1.469 0.555 1.00 0.00 C ATOM 214 C CYS A 17 7.486 0.380 -0.494 1.00 0.00 C ATOM 215 O CYS A 17 6.968 -0.718 -0.403 1.00 0.00 O ATOM 216 CB CYS A 17 7.704 1.007 1.937 1.00 0.00 C ATOM 217 SG CYS A 17 7.494 2.350 3.136 1.00 0.00 S ATOM 0 H CYS A 17 5.337 1.344 1.547 1.00 0.00 H new ATOM 0 HA CYS A 17 7.763 2.361 0.225 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.136 0.132 2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.751 0.708 1.892 1.00 0.00 H new ATOM 222 N LYS A 18 8.283 0.683 -1.489 1.00 0.00 N ATOM 223 CA LYS A 18 8.584 -0.324 -2.557 1.00 0.00 C ATOM 224 C LYS A 18 9.562 -1.392 -2.042 1.00 0.00 C ATOM 225 O LYS A 18 9.568 -2.511 -2.518 1.00 0.00 O ATOM 226 CB LYS A 18 9.223 0.481 -3.695 1.00 0.00 C ATOM 227 CG LYS A 18 8.677 -0.006 -5.041 1.00 0.00 C ATOM 228 CD LYS A 18 8.704 1.146 -6.052 1.00 0.00 C ATOM 229 CE LYS A 18 7.273 1.621 -6.330 1.00 0.00 C ATOM 230 NZ LYS A 18 6.889 0.977 -7.619 1.00 0.00 N ATOM 0 H LYS A 18 8.740 1.587 -1.609 1.00 0.00 H new ATOM 0 HA LYS A 18 7.687 -0.853 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.009 1.542 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.307 0.369 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.276 -0.840 -5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.658 -0.374 -4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.302 1.970 -5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.176 0.819 -6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.598 1.327 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.226 2.708 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.920 1.257 -7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.544 1.281 -8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.935 -0.057 -7.518 1.00 0.00 H new ATOM 244 N SER A 19 10.386 -1.054 -1.076 1.00 0.00 N ATOM 245 CA SER A 19 11.366 -2.048 -0.530 1.00 0.00 C ATOM 246 C SER A 19 10.636 -3.250 0.092 1.00 0.00 C ATOM 247 O SER A 19 11.097 -4.372 0.003 1.00 0.00 O ATOM 248 CB SER A 19 12.158 -1.288 0.538 1.00 0.00 C ATOM 249 OG SER A 19 11.282 -0.887 1.586 1.00 0.00 O ATOM 0 H SER A 19 10.422 -0.132 -0.642 1.00 0.00 H new ATOM 0 HA SER A 19 12.013 -2.448 -1.311 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.952 -1.921 0.936 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.638 -0.414 0.097 1.00 0.00 H new ATOM 0 HG SER A 19 11.790 -0.402 2.270 1.00 0.00 H new ATOM 255 N SER A 20 9.504 -3.023 0.716 1.00 0.00 N ATOM 256 CA SER A 20 8.747 -4.153 1.341 1.00 0.00 C ATOM 257 C SER A 20 7.599 -4.617 0.427 1.00 0.00 C ATOM 258 O SER A 20 6.670 -5.261 0.878 1.00 0.00 O ATOM 259 CB SER A 20 8.191 -3.579 2.647 1.00 0.00 C ATOM 260 OG SER A 20 9.244 -3.458 3.595 1.00 0.00 O ATOM 0 H SER A 20 9.073 -2.105 0.819 1.00 0.00 H new ATOM 0 HA SER A 20 9.381 -5.024 1.508 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.737 -2.605 2.465 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.407 -4.228 3.038 1.00 0.00 H new ATOM 0 HG SER A 20 8.891 -3.089 4.431 1.00 0.00 H new ATOM 266 N ASN A 21 7.659 -4.299 -0.851 1.00 0.00 N ATOM 267 CA ASN A 21 6.577 -4.719 -1.802 1.00 0.00 C ATOM 268 C ASN A 21 5.192 -4.362 -1.239 1.00 0.00 C ATOM 269 O ASN A 21 4.329 -5.210 -1.096 1.00 0.00 O ATOM 270 CB ASN A 21 6.737 -6.237 -1.952 1.00 0.00 C ATOM 271 CG ASN A 21 6.599 -6.619 -3.428 1.00 0.00 C ATOM 272 OD1 ASN A 21 5.502 -6.762 -3.930 1.00 0.00 O ATOM 273 ND2 ASN A 21 7.673 -6.788 -4.151 1.00 0.00 N ATOM 0 H ASN A 21 8.416 -3.764 -1.275 1.00 0.00 H new ATOM 0 HA ASN A 21 6.658 -4.210 -2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.710 -6.551 -1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.982 -6.754 -1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.590 -7.040 -5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.595 -6.668 -3.731 1.00 0.00 H new ATOM 280 N LEU A 22 4.978 -3.111 -0.916 1.00 0.00 N ATOM 281 CA LEU A 22 3.657 -2.692 -0.356 1.00 0.00 C ATOM 282 C LEU A 22 2.810 -2.002 -1.432 1.00 0.00 C ATOM 283 O LEU A 22 3.306 -1.215 -2.218 1.00 0.00 O ATOM 284 CB LEU A 22 3.995 -1.713 0.773 1.00 0.00 C ATOM 285 CG LEU A 22 4.624 -2.471 1.947 1.00 0.00 C ATOM 286 CD1 LEU A 22 5.144 -1.470 2.981 1.00 0.00 C ATOM 287 CD2 LEU A 22 3.572 -3.375 2.597 1.00 0.00 C ATOM 0 H LEU A 22 5.662 -2.361 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 22 3.076 -3.543 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.683 -0.950 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.093 -1.198 1.102 1.00 0.00 H new ATOM 0 HG LEU A 22 5.451 -3.081 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.591 -2.009 3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.894 -0.827 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.317 -0.860 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.021 -3.913 3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.744 -2.766 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.202 -4.089 1.862 1.00 0.00 H new ATOM 299 N VAL A 23 1.532 -2.290 -1.463 1.00 0.00 N ATOM 300 CA VAL A 23 0.629 -1.655 -2.477 1.00 0.00 C ATOM 301 C VAL A 23 -0.672 -1.200 -1.803 1.00 0.00 C ATOM 302 O VAL A 23 -1.138 -1.812 -0.860 1.00 0.00 O ATOM 303 CB VAL A 23 0.344 -2.742 -3.526 1.00 0.00 C ATOM 304 CG1 VAL A 23 1.620 -3.052 -4.313 1.00 0.00 C ATOM 305 CG2 VAL A 23 -0.151 -4.022 -2.841 1.00 0.00 C ATOM 0 H VAL A 23 1.072 -2.941 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 23 1.083 -0.776 -2.934 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.426 -2.377 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.412 -3.823 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.966 -2.149 -4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.392 -3.405 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.349 -4.784 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.611 -4.384 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.067 -3.809 -2.290 1.00 0.00 H new ATOM 315 N CYS A 24 -1.261 -0.131 -2.278 1.00 0.00 N ATOM 316 CA CYS A 24 -2.530 0.364 -1.661 1.00 0.00 C ATOM 317 C CYS A 24 -3.692 -0.577 -1.998 1.00 0.00 C ATOM 318 O CYS A 24 -3.857 -0.996 -3.129 1.00 0.00 O ATOM 319 CB CYS A 24 -2.766 1.750 -2.264 1.00 0.00 C ATOM 320 SG CYS A 24 -1.795 2.974 -1.350 1.00 0.00 S ATOM 0 H CYS A 24 -0.919 0.420 -3.065 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.462 0.405 -0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.481 1.755 -3.316 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.825 2.003 -2.220 1.00 0.00 H new ATOM 325 N SER A 25 -4.497 -0.911 -1.019 1.00 0.00 N ATOM 326 CA SER A 25 -5.653 -1.826 -1.265 1.00 0.00 C ATOM 327 C SER A 25 -6.916 -1.018 -1.586 1.00 0.00 C ATOM 328 O SER A 25 -6.941 0.193 -1.462 1.00 0.00 O ATOM 329 CB SER A 25 -5.832 -2.602 0.041 1.00 0.00 C ATOM 330 OG SER A 25 -6.696 -3.710 -0.183 1.00 0.00 O ATOM 0 H SER A 25 -4.402 -0.587 -0.056 1.00 0.00 H new ATOM 0 HA SER A 25 -5.478 -2.488 -2.113 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.865 -2.948 0.407 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.249 -1.951 0.810 1.00 0.00 H new ATOM 0 HG SER A 25 -6.811 -4.210 0.652 1.00 0.00 H new ATOM 336 N ARG A 26 -7.965 -1.687 -1.994 1.00 0.00 N ATOM 337 CA ARG A 26 -9.238 -0.975 -2.323 1.00 0.00 C ATOM 338 C ARG A 26 -10.250 -1.148 -1.185 1.00 0.00 C ATOM 339 O ARG A 26 -10.924 -0.212 -0.799 1.00 0.00 O ATOM 340 CB ARG A 26 -9.750 -1.645 -3.600 1.00 0.00 C ATOM 341 CG ARG A 26 -9.126 -0.968 -4.822 1.00 0.00 C ATOM 342 CD ARG A 26 -10.050 -1.142 -6.030 1.00 0.00 C ATOM 343 NE ARG A 26 -9.297 -0.562 -7.177 1.00 0.00 N ATOM 344 CZ ARG A 26 -9.574 0.643 -7.599 1.00 0.00 C ATOM 345 NH1 ARG A 26 -10.563 0.831 -8.433 1.00 0.00 N ATOM 346 NH2 ARG A 26 -8.863 1.660 -7.185 1.00 0.00 N ATOM 0 H ARG A 26 -7.995 -2.699 -2.114 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.088 0.096 -2.457 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.499 -2.706 -3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.837 -1.575 -3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.967 0.092 -4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.149 -1.403 -5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.282 -2.193 -6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.998 -0.626 -5.879 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.565 -1.106 -7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.118 0.037 -8.754 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.780 1.771 -8.763 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.093 1.512 -6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.079 2.601 -7.514 1.00 0.00 H new ATOM 360 N LYS A 27 -10.358 -2.338 -0.646 1.00 0.00 N ATOM 361 CA LYS A 27 -11.324 -2.579 0.473 1.00 0.00 C ATOM 362 C LYS A 27 -10.750 -2.058 1.801 1.00 0.00 C ATOM 363 O LYS A 27 -11.485 -1.671 2.689 1.00 0.00 O ATOM 364 CB LYS A 27 -11.521 -4.102 0.518 1.00 0.00 C ATOM 365 CG LYS A 27 -10.256 -4.787 1.051 1.00 0.00 C ATOM 366 CD LYS A 27 -10.367 -6.300 0.849 1.00 0.00 C ATOM 367 CE LYS A 27 -8.981 -6.939 0.987 1.00 0.00 C ATOM 368 NZ LYS A 27 -8.965 -8.059 0.003 1.00 0.00 N ATOM 0 H LYS A 27 -9.818 -3.155 -0.933 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.268 -2.057 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.371 -4.347 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.752 -4.475 -0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.377 -4.404 0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.126 -4.560 2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.050 -6.726 1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.782 -6.516 -0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.192 -6.217 0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.815 -7.304 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.045 -8.542 0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.721 -8.735 0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.118 -7.682 -0.954 1.00 0.00 H new ATOM 382 N HIS A 28 -9.445 -2.047 1.939 1.00 0.00 N ATOM 383 CA HIS A 28 -8.822 -1.552 3.205 1.00 0.00 C ATOM 384 C HIS A 28 -8.196 -0.165 3.000 1.00 0.00 C ATOM 385 O HIS A 28 -7.970 0.559 3.952 1.00 0.00 O ATOM 386 CB HIS A 28 -7.737 -2.579 3.544 1.00 0.00 C ATOM 387 CG HIS A 28 -8.369 -3.837 4.077 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.363 -3.816 5.044 1.00 0.00 N ATOM 389 CD2 HIS A 28 -8.157 -5.162 3.787 1.00 0.00 C ATOM 390 CE1 HIS A 28 -9.708 -5.091 5.298 1.00 0.00 C ATOM 391 NE2 HIS A 28 -9.003 -5.952 4.560 1.00 0.00 N ATOM 0 H HIS A 28 -8.785 -2.360 1.227 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.557 -1.449 4.003 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.149 -2.806 2.655 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.051 -2.165 4.283 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.442 -5.535 3.068 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.464 -5.383 6.012 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.070 -6.970 4.562 1.00 0.00 H new ATOM 399 N ARG A 29 -7.906 0.208 1.769 1.00 0.00 N ATOM 400 CA ARG A 29 -7.284 1.545 1.498 1.00 0.00 C ATOM 401 C ARG A 29 -5.990 1.705 2.313 1.00 0.00 C ATOM 402 O ARG A 29 -5.756 2.724 2.936 1.00 0.00 O ATOM 403 CB ARG A 29 -8.336 2.578 1.924 1.00 0.00 C ATOM 404 CG ARG A 29 -8.712 3.452 0.724 1.00 0.00 C ATOM 405 CD ARG A 29 -9.827 2.772 -0.077 1.00 0.00 C ATOM 406 NE ARG A 29 -11.080 3.052 0.682 1.00 0.00 N ATOM 407 CZ ARG A 29 -11.982 2.117 0.825 1.00 0.00 C ATOM 408 NH1 ARG A 29 -11.838 1.204 1.751 1.00 0.00 N ATOM 409 NH2 ARG A 29 -13.030 2.095 0.041 1.00 0.00 N ATOM 0 H ARG A 29 -8.076 -0.361 0.940 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.010 1.666 0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.221 2.073 2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.946 3.198 2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.042 4.433 1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.840 3.611 0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.883 3.170 -1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.651 1.700 -0.165 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.233 3.974 1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.021 1.222 2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.542 0.475 1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.142 2.807 -0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.735 1.366 0.152 1.00 0.00 H new ATOM 423 N TRP A 30 -5.151 0.698 2.309 1.00 0.00 N ATOM 424 CA TRP A 30 -3.870 0.779 3.079 1.00 0.00 C ATOM 425 C TRP A 30 -2.727 0.084 2.323 1.00 0.00 C ATOM 426 O TRP A 30 -2.923 -0.472 1.260 1.00 0.00 O ATOM 427 CB TRP A 30 -4.158 0.095 4.431 1.00 0.00 C ATOM 428 CG TRP A 30 -4.336 -1.397 4.289 1.00 0.00 C ATOM 429 CD1 TRP A 30 -4.480 -2.082 3.126 1.00 0.00 C ATOM 430 CD2 TRP A 30 -4.396 -2.393 5.350 1.00 0.00 C ATOM 431 NE1 TRP A 30 -4.619 -3.427 3.411 1.00 0.00 N ATOM 432 CE2 TRP A 30 -4.574 -3.669 4.767 1.00 0.00 C ATOM 433 CE3 TRP A 30 -4.311 -2.311 6.750 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -4.667 -4.823 5.546 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -4.403 -3.469 7.538 1.00 0.00 C ATOM 436 CH2 TRP A 30 -4.580 -4.723 6.937 1.00 0.00 C ATOM 0 H TRP A 30 -5.298 -0.177 1.806 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.546 1.810 3.220 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.338 0.297 5.120 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -5.058 0.526 4.870 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.485 -1.646 2.138 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.740 -4.152 2.704 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -4.174 -1.350 7.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -4.805 -5.786 5.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -4.337 -3.393 8.613 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -4.649 -5.611 7.548 1.00 0.00 H new ATOM 447 N CYS A 31 -1.533 0.121 2.859 1.00 0.00 N ATOM 448 CA CYS A 31 -0.379 -0.529 2.164 1.00 0.00 C ATOM 449 C CYS A 31 -0.326 -2.024 2.497 1.00 0.00 C ATOM 450 O CYS A 31 0.287 -2.437 3.465 1.00 0.00 O ATOM 451 CB CYS A 31 0.866 0.190 2.688 1.00 0.00 C ATOM 452 SG CYS A 31 0.928 1.864 2.004 1.00 0.00 S ATOM 0 H CYS A 31 -1.307 0.572 3.746 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.460 -0.454 1.080 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.844 0.231 3.777 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.763 -0.362 2.408 1.00 0.00 H new ATOM 457 N LYS A 32 -0.960 -2.837 1.692 1.00 0.00 N ATOM 458 CA LYS A 32 -0.953 -4.310 1.941 1.00 0.00 C ATOM 459 C LYS A 32 0.248 -4.955 1.237 1.00 0.00 C ATOM 460 O LYS A 32 0.846 -4.371 0.353 1.00 0.00 O ATOM 461 CB LYS A 32 -2.266 -4.820 1.340 1.00 0.00 C ATOM 462 CG LYS A 32 -2.734 -6.060 2.103 1.00 0.00 C ATOM 463 CD LYS A 32 -4.018 -6.596 1.468 1.00 0.00 C ATOM 464 CE LYS A 32 -4.477 -7.848 2.221 1.00 0.00 C ATOM 465 NZ LYS A 32 -5.845 -8.134 1.703 1.00 0.00 N ATOM 0 H LYS A 32 -1.485 -2.542 0.869 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.870 -4.552 3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.027 -4.041 1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.126 -5.061 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.959 -6.826 2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.910 -5.811 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.797 -5.834 1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.846 -6.833 0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.804 -8.686 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.491 -7.677 3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.225 -8.980 2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.466 -7.322 1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.800 -8.299 0.677 1.00 0.00 H new ATOM 479 N TYR A 33 0.604 -6.155 1.621 1.00 0.00 N ATOM 480 CA TYR A 33 1.765 -6.838 0.974 1.00 0.00 C ATOM 481 C TYR A 33 1.306 -7.593 -0.278 1.00 0.00 C ATOM 482 O TYR A 33 0.229 -8.158 -0.314 1.00 0.00 O ATOM 483 CB TYR A 33 2.301 -7.811 2.030 1.00 0.00 C ATOM 484 CG TYR A 33 3.544 -8.497 1.507 1.00 0.00 C ATOM 485 CD1 TYR A 33 4.688 -7.746 1.206 1.00 0.00 C ATOM 486 CD2 TYR A 33 3.553 -9.886 1.326 1.00 0.00 C ATOM 487 CE1 TYR A 33 5.837 -8.383 0.723 1.00 0.00 C ATOM 488 CE2 TYR A 33 4.702 -10.523 0.844 1.00 0.00 C ATOM 489 CZ TYR A 33 5.844 -9.772 0.543 1.00 0.00 C ATOM 490 OH TYR A 33 6.976 -10.402 0.069 1.00 0.00 O ATOM 0 H TYR A 33 0.141 -6.691 2.355 1.00 0.00 H new ATOM 0 HA TYR A 33 2.531 -6.132 0.653 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.530 -7.274 2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.540 -8.552 2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.683 -6.675 1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.672 -10.466 1.559 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.718 -7.804 0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.708 -11.594 0.704 1.00 0.00 H new ATOM 0 HH TYR A 33 6.811 -11.366 0.004 1.00 0.00 H new ATOM 500 N GLU A 34 2.119 -7.603 -1.304 1.00 0.00 N ATOM 501 CA GLU A 34 1.741 -8.317 -2.561 1.00 0.00 C ATOM 502 C GLU A 34 2.031 -9.818 -2.431 1.00 0.00 C ATOM 503 O GLU A 34 3.010 -10.220 -1.827 1.00 0.00 O ATOM 504 CB GLU A 34 2.615 -7.687 -3.650 1.00 0.00 C ATOM 505 CG GLU A 34 1.781 -7.458 -4.916 1.00 0.00 C ATOM 506 CD GLU A 34 1.507 -8.799 -5.603 1.00 0.00 C ATOM 507 OE1 GLU A 34 2.425 -9.333 -6.204 1.00 0.00 O ATOM 508 OE2 GLU A 34 0.384 -9.268 -5.517 1.00 0.00 O ATOM 0 H GLU A 34 3.031 -7.146 -1.325 1.00 0.00 H new ATOM 0 HA GLU A 34 0.679 -8.223 -2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.026 -6.741 -3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.460 -8.338 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.840 -6.971 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.311 -6.791 -5.596 1.00 0.00 H new ATOM 515 N ILE A 35 1.185 -10.648 -2.994 1.00 0.00 N ATOM 516 CA ILE A 35 1.402 -12.130 -2.909 1.00 0.00 C ATOM 517 C ILE A 35 2.591 -12.560 -3.788 1.00 0.00 C ATOM 518 O ILE A 35 2.977 -13.680 -3.500 1.00 0.00 O ATOM 519 CB ILE A 35 0.086 -12.759 -3.403 1.00 0.00 C ATOM 520 CG1 ILE A 35 0.021 -14.227 -2.966 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.003 -12.680 -4.932 1.00 0.00 C ATOM 522 CD1 ILE A 35 -0.935 -14.368 -1.779 1.00 0.00 C ATOM 0 H ILE A 35 0.352 -10.364 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 35 1.645 -12.451 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.749 -12.208 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.318 -14.849 -3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.015 -14.579 -2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.939 -13.129 -5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.031 -11.636 -5.245 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.835 -13.219 -5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.980 -15.412 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.577 -13.759 -0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.930 -14.033 -2.072 1.00 0.00 H new HETATM 534 N NH2 A 36 3.468 -11.579 -3.772 1.00 0.00 N TER 537 NH2 A 36