USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 283 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 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 30 ASN : amide:sc= -0.106 K(o=-0.11,f=-0.89) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.128 (180deg=-0.386) USER MOD Single : A 5 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.19) USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0156 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.109) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -164:sc= -0.21 (180deg=-0.436) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.604 3.114 7.864 1.00 0.00 N ATOM 2 CA GLY A 1 -0.767 1.927 7.634 1.00 0.00 C ATOM 3 C GLY A 1 -1.553 0.668 7.959 1.00 0.00 C ATOM 4 O GLY A 1 -2.651 0.741 8.511 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.746 3.618 6.966 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.526 2.820 8.245 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.133 3.744 8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.435 1.901 6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.128 1.977 8.254 1.00 0.00 H new ATOM 9 N VAL A 2 -0.962 -0.470 7.605 1.00 0.00 N ATOM 10 CA VAL A 2 -1.595 -1.772 7.851 1.00 0.00 C ATOM 11 C VAL A 2 -2.919 -1.852 7.102 1.00 0.00 C ATOM 12 O VAL A 2 -3.989 -1.700 7.692 1.00 0.00 O ATOM 13 CB VAL A 2 -1.749 -2.070 9.349 1.00 0.00 C ATOM 14 CG1 VAL A 2 -2.307 -3.476 9.567 1.00 0.00 C ATOM 15 CG2 VAL A 2 -0.397 -1.989 10.059 1.00 0.00 C ATOM 0 H VAL A 2 -0.051 -0.522 7.149 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.939 -2.552 7.465 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.434 -1.326 9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.408 -3.666 10.636 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.284 -3.558 9.090 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.628 -4.209 9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.529 -2.204 11.119 1.00 0.00 H new ATOM 0 HG22 VAL A 2 0.287 -2.718 9.624 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.017 -0.988 9.940 1.00 0.00 H new ATOM 25 N GLU A 3 -2.809 -2.085 5.799 1.00 0.00 N ATOM 26 CA GLU A 3 -3.992 -2.190 4.937 1.00 0.00 C ATOM 27 C GLU A 3 -4.819 -0.911 4.958 1.00 0.00 C ATOM 28 O GLU A 3 -5.836 -0.806 5.642 1.00 0.00 O ATOM 29 CB GLU A 3 -4.805 -3.438 5.294 1.00 0.00 C ATOM 30 CG GLU A 3 -5.998 -3.650 4.361 1.00 0.00 C ATOM 31 CD GLU A 3 -6.710 -4.948 4.705 1.00 0.00 C ATOM 32 OE1 GLU A 3 -7.644 -5.404 4.047 1.00 0.00 O ATOM 33 OE2 GLU A 3 -6.186 -5.538 5.825 1.00 0.00 O ATOM 0 H GLU A 3 -1.920 -2.205 5.314 1.00 0.00 H new ATOM 0 HA GLU A 3 -3.661 -2.309 3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.157 -4.313 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.162 -3.353 6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.690 -2.813 4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.659 -3.676 3.325 1.00 0.00 H new ATOM 41 N ILE A 4 -4.379 0.075 4.195 1.00 0.00 N ATOM 42 CA ILE A 4 -5.121 1.335 4.159 1.00 0.00 C ATOM 43 C ILE A 4 -6.360 1.103 3.301 1.00 0.00 C ATOM 44 O ILE A 4 -6.495 0.043 2.691 1.00 0.00 O ATOM 45 CB ILE A 4 -4.225 2.486 3.684 1.00 0.00 C ATOM 46 CG1 ILE A 4 -3.612 2.235 2.297 1.00 0.00 C ATOM 47 CG2 ILE A 4 -3.143 2.686 4.747 1.00 0.00 C ATOM 48 CD1 ILE A 4 -2.822 3.437 1.779 1.00 0.00 C ATOM 0 H ILE A 4 -3.544 0.039 3.610 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.448 1.643 5.152 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.826 3.388 3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.955 1.366 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.406 1.995 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.483 3.499 4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.611 2.933 5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.564 1.769 4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.411 3.206 0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.482 4.301 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.009 3.663 2.469 1.00 0.00 H new ATOM 60 N ASN A 5 -7.243 2.095 3.229 1.00 0.00 N ATOM 61 CA ASN A 5 -8.471 1.948 2.429 1.00 0.00 C ATOM 62 C ASN A 5 -8.397 2.476 1.002 1.00 0.00 C ATOM 63 O ASN A 5 -9.411 2.886 0.438 1.00 0.00 O ATOM 64 CB ASN A 5 -9.597 2.670 3.165 1.00 0.00 C ATOM 65 CG ASN A 5 -9.300 4.155 3.296 1.00 0.00 C ATOM 66 OD1 ASN A 5 -9.419 4.928 2.347 1.00 0.00 O ATOM 67 ND2 ASN A 5 -8.912 4.573 4.487 1.00 0.00 N ATOM 0 H ASN A 5 -7.142 2.994 3.701 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.640 0.876 2.326 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.535 2.529 2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.727 2.233 4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.702 5.560 4.638 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.822 3.909 5.256 1.00 0.00 H new ATOM 74 N VAL A 6 -7.206 2.464 0.433 1.00 0.00 N ATOM 75 CA VAL A 6 -7.024 2.946 -0.942 1.00 0.00 C ATOM 76 C VAL A 6 -7.064 1.711 -1.834 1.00 0.00 C ATOM 77 O VAL A 6 -6.463 0.682 -1.530 1.00 0.00 O ATOM 78 CB VAL A 6 -5.693 3.689 -1.092 1.00 0.00 C ATOM 79 CG1 VAL A 6 -5.549 4.319 -2.476 1.00 0.00 C ATOM 80 CG2 VAL A 6 -5.560 4.826 -0.077 1.00 0.00 C ATOM 0 H VAL A 6 -6.355 2.132 0.886 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.804 3.656 -1.217 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.921 2.937 -0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.592 4.837 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.594 3.540 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.358 5.031 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.603 5.328 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.369 5.541 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.613 4.420 0.933 1.00 0.00 H new ATOM 90 N LYS A 7 -7.793 1.809 -2.930 1.00 0.00 N ATOM 91 CA LYS A 7 -7.891 0.673 -3.849 1.00 0.00 C ATOM 92 C LYS A 7 -6.739 0.751 -4.841 1.00 0.00 C ATOM 93 O LYS A 7 -6.207 1.831 -5.092 1.00 0.00 O ATOM 94 CB LYS A 7 -9.215 0.743 -4.610 1.00 0.00 C ATOM 95 CG LYS A 7 -10.411 0.532 -3.682 1.00 0.00 C ATOM 96 CD LYS A 7 -11.702 0.499 -4.497 1.00 0.00 C ATOM 97 CE LYS A 7 -12.913 0.188 -3.619 1.00 0.00 C ATOM 98 NZ LYS A 7 -13.148 1.275 -2.657 1.00 0.00 N ATOM 0 H LYS A 7 -8.317 2.639 -3.208 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.846 -0.262 -3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.302 1.712 -5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.225 -0.014 -5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.295 -0.401 -3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.456 1.334 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.846 1.460 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.618 -0.252 -5.282 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.796 0.051 -4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.751 -0.748 -3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.065 1.131 -2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.390 1.278 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.155 2.186 -3.158 1.00 0.00 H new ATOM 111 N CYS A 8 -6.355 -0.385 -5.410 1.00 0.00 N ATOM 112 CA CYS A 8 -5.247 -0.361 -6.375 1.00 0.00 C ATOM 113 C CYS A 8 -5.353 -1.487 -7.389 1.00 0.00 C ATOM 114 O CYS A 8 -6.244 -2.332 -7.362 1.00 0.00 O ATOM 115 CB CYS A 8 -3.919 -0.446 -5.619 1.00 0.00 C ATOM 116 SG CYS A 8 -3.828 -1.956 -4.630 1.00 0.00 S ATOM 0 H CYS A 8 -6.769 -1.301 -5.235 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.298 0.575 -6.931 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.091 -0.422 -6.328 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.810 0.424 -4.971 1.00 0.00 H new ATOM 121 N SER A 9 -4.403 -1.455 -8.303 1.00 0.00 N ATOM 122 CA SER A 9 -4.339 -2.458 -9.358 1.00 0.00 C ATOM 123 C SER A 9 -2.876 -2.757 -9.644 1.00 0.00 C ATOM 124 O SER A 9 -2.529 -3.536 -10.530 1.00 0.00 O ATOM 125 CB SER A 9 -4.938 -1.863 -10.620 1.00 0.00 C ATOM 126 OG SER A 9 -6.356 -1.905 -10.561 1.00 0.00 O ATOM 0 H SER A 9 -3.666 -0.751 -8.340 1.00 0.00 H new ATOM 0 HA SER A 9 -4.873 -3.359 -9.057 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.603 -0.833 -10.739 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.587 -2.415 -11.492 1.00 0.00 H new ATOM 0 HG SER A 9 -6.729 -1.517 -11.380 1.00 0.00 H new ATOM 132 N GLY A 10 -2.001 -2.127 -8.885 1.00 0.00 N ATOM 133 CA GLY A 10 -0.577 -2.362 -9.102 1.00 0.00 C ATOM 134 C GLY A 10 0.257 -1.848 -7.940 1.00 0.00 C ATOM 135 O GLY A 10 0.004 -0.776 -7.391 1.00 0.00 O ATOM 0 H GLY A 10 -2.232 -1.472 -8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.400 -3.429 -9.234 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.262 -1.870 -10.022 1.00 0.00 H new ATOM 139 N SER A 11 1.242 -2.643 -7.553 1.00 0.00 N ATOM 140 CA SER A 11 2.121 -2.244 -6.440 1.00 0.00 C ATOM 141 C SER A 11 2.848 -0.878 -6.553 1.00 0.00 C ATOM 142 O SER A 11 2.885 -0.203 -5.524 1.00 0.00 O ATOM 143 CB SER A 11 3.057 -3.395 -6.103 1.00 0.00 C ATOM 144 OG SER A 11 4.020 -3.574 -7.131 1.00 0.00 O ATOM 0 H SER A 11 1.458 -3.547 -7.973 1.00 0.00 H new ATOM 0 HA SER A 11 1.450 -2.042 -5.605 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.560 -3.196 -5.157 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.482 -4.312 -5.972 1.00 0.00 H new ATOM 0 HG SER A 11 4.614 -4.317 -6.897 1.00 0.00 H new ATOM 150 N PRO A 12 3.376 -0.291 -7.655 1.00 0.00 N ATOM 151 CA PRO A 12 4.021 1.030 -7.550 1.00 0.00 C ATOM 152 C PRO A 12 3.049 2.194 -7.276 1.00 0.00 C ATOM 153 O PRO A 12 3.477 3.268 -6.856 1.00 0.00 O ATOM 154 CB PRO A 12 4.778 1.206 -8.867 1.00 0.00 C ATOM 155 CG PRO A 12 4.235 0.121 -9.789 1.00 0.00 C ATOM 156 CD PRO A 12 3.871 -1.011 -8.837 1.00 0.00 C ATOM 0 HA PRO A 12 4.680 1.060 -6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.612 2.198 -9.287 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.853 1.097 -8.721 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.367 0.469 -10.349 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.980 -0.194 -10.520 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.110 -1.667 -9.260 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.733 -1.634 -8.600 1.00 0.00 H new ATOM 164 N GLN A 13 1.742 2.019 -7.495 1.00 0.00 N ATOM 165 CA GLN A 13 0.784 3.096 -7.230 1.00 0.00 C ATOM 166 C GLN A 13 0.386 3.023 -5.745 1.00 0.00 C ATOM 167 O GLN A 13 -0.139 3.977 -5.174 1.00 0.00 O ATOM 168 CB GLN A 13 -0.455 2.919 -8.106 1.00 0.00 C ATOM 169 CG GLN A 13 -0.125 3.098 -9.587 1.00 0.00 C ATOM 170 CD GLN A 13 -1.389 3.006 -10.426 1.00 0.00 C ATOM 171 OE1 GLN A 13 -2.143 3.967 -10.569 1.00 0.00 O ATOM 172 NE2 GLN A 13 -1.633 1.839 -10.993 1.00 0.00 N ATOM 0 H GLN A 13 1.328 1.157 -7.849 1.00 0.00 H new ATOM 0 HA GLN A 13 1.232 4.063 -7.457 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.878 1.927 -7.944 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.216 3.642 -7.812 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.355 4.064 -9.745 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.585 2.334 -9.903 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.988 1.061 -10.856 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.466 1.716 -11.569 1.00 0.00 H new ATOM 181 N CYS A 14 0.627 1.880 -5.113 1.00 0.00 N ATOM 182 CA CYS A 14 0.293 1.719 -3.699 1.00 0.00 C ATOM 183 C CYS A 14 1.442 2.318 -2.904 1.00 0.00 C ATOM 184 O CYS A 14 1.231 2.861 -1.816 1.00 0.00 O ATOM 185 CB CYS A 14 0.284 0.231 -3.375 1.00 0.00 C ATOM 186 SG CYS A 14 -1.393 -0.377 -3.451 1.00 0.00 S ATOM 0 H CYS A 14 1.047 1.059 -5.549 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.667 2.183 -3.472 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.912 -0.311 -4.082 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.701 0.060 -2.382 1.00 0.00 H new ATOM 191 N LEU A 15 2.639 2.037 -3.427 1.00 0.00 N ATOM 192 CA LEU A 15 3.909 2.500 -2.860 1.00 0.00 C ATOM 193 C LEU A 15 3.883 3.949 -2.398 1.00 0.00 C ATOM 194 O LEU A 15 4.019 4.220 -1.205 1.00 0.00 O ATOM 195 CB LEU A 15 5.011 2.221 -3.894 1.00 0.00 C ATOM 196 CG LEU A 15 6.433 2.623 -3.480 1.00 0.00 C ATOM 197 CD1 LEU A 15 6.914 1.858 -2.249 1.00 0.00 C ATOM 198 CD2 LEU A 15 7.377 2.319 -4.639 1.00 0.00 C ATOM 0 H LEU A 15 2.755 1.473 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 15 4.111 1.947 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.007 1.155 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.759 2.746 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 15 6.425 3.685 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.925 2.177 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.248 2.061 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.913 0.789 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.394 2.598 -4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.343 1.254 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.070 2.887 -5.517 1.00 0.00 H new ATOM 210 N LYS A 16 3.833 4.823 -3.401 1.00 0.00 N ATOM 211 CA LYS A 16 3.794 6.281 -3.181 1.00 0.00 C ATOM 212 C LYS A 16 2.847 6.770 -2.053 1.00 0.00 C ATOM 213 O LYS A 16 3.354 7.448 -1.160 1.00 0.00 O ATOM 214 CB LYS A 16 3.719 7.008 -4.536 1.00 0.00 C ATOM 215 CG LYS A 16 3.593 8.522 -4.371 1.00 0.00 C ATOM 216 CD LYS A 16 3.736 9.206 -5.729 1.00 0.00 C ATOM 217 CE LYS A 16 3.717 10.728 -5.597 1.00 0.00 C ATOM 218 NZ LYS A 16 2.405 11.191 -5.123 1.00 0.00 N ATOM 0 H LYS A 16 3.818 4.551 -4.384 1.00 0.00 H new ATOM 0 HA LYS A 16 4.739 6.582 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.612 6.781 -5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.866 6.633 -5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.628 8.769 -3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.359 8.887 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.668 8.893 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.926 8.887 -6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.494 11.048 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.943 11.185 -6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.366 12.229 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.657 10.790 -5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.262 10.882 -4.140 1.00 0.00 H new ATOM 231 N PRO A 17 1.548 6.461 -1.915 1.00 0.00 N ATOM 232 CA PRO A 17 0.802 7.010 -0.786 1.00 0.00 C ATOM 233 C PRO A 17 1.102 6.294 0.522 1.00 0.00 C ATOM 234 O PRO A 17 1.020 6.893 1.595 1.00 0.00 O ATOM 235 CB PRO A 17 -0.660 6.794 -1.172 1.00 0.00 C ATOM 236 CG PRO A 17 -0.641 6.721 -2.692 1.00 0.00 C ATOM 237 CD PRO A 17 0.666 5.997 -2.993 1.00 0.00 C ATOM 0 HA PRO A 17 1.065 8.053 -0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.056 5.877 -0.735 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.289 7.612 -0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.501 6.175 -3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.664 7.713 -3.143 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.542 4.914 -2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.057 6.259 -3.976 1.00 0.00 H new ATOM 245 N CYS A 18 1.579 5.052 0.455 1.00 0.00 N ATOM 246 CA CYS A 18 1.863 4.346 1.712 1.00 0.00 C ATOM 247 C CYS A 18 3.210 4.752 2.298 1.00 0.00 C ATOM 248 O CYS A 18 3.457 4.567 3.487 1.00 0.00 O ATOM 249 CB CYS A 18 1.787 2.827 1.559 1.00 0.00 C ATOM 250 SG CYS A 18 1.052 2.189 3.084 1.00 0.00 S ATOM 0 H CYS A 18 1.770 4.533 -0.402 1.00 0.00 H new ATOM 0 HA CYS A 18 1.081 4.647 2.409 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.182 2.555 0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.779 2.404 1.400 1.00 0.00 H new ATOM 255 N LYS A 19 4.082 5.347 1.494 1.00 0.00 N ATOM 256 CA LYS A 19 5.385 5.767 2.011 1.00 0.00 C ATOM 257 C LYS A 19 5.212 7.146 2.639 1.00 0.00 C ATOM 258 O LYS A 19 5.976 7.531 3.524 1.00 0.00 O ATOM 259 CB LYS A 19 6.392 5.800 0.861 1.00 0.00 C ATOM 260 CG LYS A 19 7.801 6.119 1.357 1.00 0.00 C ATOM 261 CD LYS A 19 8.794 6.047 0.201 1.00 0.00 C ATOM 262 CE LYS A 19 10.206 6.357 0.692 1.00 0.00 C ATOM 263 NZ LYS A 19 11.151 6.284 -0.432 1.00 0.00 N ATOM 0 H LYS A 19 3.921 5.547 0.507 1.00 0.00 H new ATOM 0 HA LYS A 19 5.760 5.074 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.395 4.837 0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.085 6.547 0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.821 7.114 1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.088 5.414 2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.768 5.054 -0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.509 6.756 -0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.235 7.350 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.495 5.649 1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.111 6.496 -0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.131 5.328 -0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.880 6.977 -1.159 1.00 0.00 H new ATOM 276 N ASP A 20 4.187 7.873 2.188 1.00 0.00 N ATOM 277 CA ASP A 20 3.915 9.212 2.719 1.00 0.00 C ATOM 278 C ASP A 20 2.972 9.134 3.902 1.00 0.00 C ATOM 279 O ASP A 20 2.837 10.045 4.717 1.00 0.00 O ATOM 280 CB ASP A 20 3.344 10.100 1.616 1.00 0.00 C ATOM 281 CG ASP A 20 3.090 11.506 2.135 1.00 0.00 C ATOM 282 OD1 ASP A 20 2.110 11.811 2.813 1.00 0.00 O ATOM 283 OD2 ASP A 20 4.077 12.377 1.757 1.00 0.00 O ATOM 0 H ASP A 20 3.538 7.562 1.465 1.00 0.00 H new ATOM 0 HA ASP A 20 4.848 9.653 3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.038 10.137 0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.414 9.671 1.242 1.00 0.00 H new ATOM 289 N ALA A 21 2.338 7.986 3.971 1.00 0.00 N ATOM 290 CA ALA A 21 1.380 7.713 5.050 1.00 0.00 C ATOM 291 C ALA A 21 1.998 7.143 6.323 1.00 0.00 C ATOM 292 O ALA A 21 1.276 6.792 7.255 1.00 0.00 O ATOM 293 CB ALA A 21 0.279 6.769 4.579 1.00 0.00 C ATOM 0 H ALA A 21 2.458 7.223 3.305 1.00 0.00 H new ATOM 0 HA ALA A 21 0.973 8.692 5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.416 6.584 5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.256 7.222 3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.721 5.826 4.258 1.00 0.00 H new ATOM 299 N GLY A 22 3.313 7.026 6.385 1.00 0.00 N ATOM 300 CA GLY A 22 3.927 6.486 7.592 1.00 0.00 C ATOM 301 C GLY A 22 4.028 4.975 7.507 1.00 0.00 C ATOM 302 O GLY A 22 3.659 4.256 8.435 1.00 0.00 O ATOM 0 H GLY A 22 3.961 7.287 5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.920 6.916 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.338 6.768 8.464 1.00 0.00 H new ATOM 306 N MET A 23 4.558 4.493 6.395 1.00 0.00 N ATOM 307 CA MET A 23 4.688 3.038 6.252 1.00 0.00 C ATOM 308 C MET A 23 5.851 2.742 5.330 1.00 0.00 C ATOM 309 O MET A 23 6.371 3.635 4.665 1.00 0.00 O ATOM 310 CB MET A 23 3.401 2.422 5.697 1.00 0.00 C ATOM 311 CG MET A 23 2.675 1.536 6.704 1.00 0.00 C ATOM 312 SD MET A 23 3.770 0.236 7.288 1.00 0.00 S ATOM 313 CE MET A 23 3.808 0.737 9.012 1.00 0.00 C ATOM 0 H MET A 23 4.893 5.049 5.608 1.00 0.00 H new ATOM 0 HA MET A 23 4.868 2.597 7.232 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.732 3.221 5.377 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.640 1.833 4.811 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.330 2.137 7.546 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.791 1.097 6.242 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.644 0.250 9.514 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.928 1.819 9.074 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.875 0.447 9.496 1.00 0.00 H new ATOM 323 N ARG A 24 6.296 1.492 5.305 1.00 0.00 N ATOM 324 CA ARG A 24 7.422 1.183 4.424 1.00 0.00 C ATOM 325 C ARG A 24 6.897 1.157 2.995 1.00 0.00 C ATOM 326 O ARG A 24 6.406 2.155 2.469 1.00 0.00 O ATOM 327 CB ARG A 24 8.189 -0.037 4.973 1.00 0.00 C ATOM 328 CG ARG A 24 9.649 -0.032 4.504 1.00 0.00 C ATOM 329 CD ARG A 24 10.454 -1.179 5.113 1.00 0.00 C ATOM 330 NE ARG A 24 9.987 -2.463 4.589 1.00 0.00 N ATOM 331 CZ ARG A 24 10.579 -3.581 4.983 1.00 0.00 C ATOM 332 NH1 ARG A 24 11.573 -3.552 5.853 1.00 0.00 N ATOM 333 NH2 ARG A 24 10.172 -4.740 4.501 1.00 0.00 N ATOM 0 H ARG A 24 5.923 0.714 5.849 1.00 0.00 H new ATOM 0 HA ARG A 24 8.205 1.941 4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.154 -0.031 6.062 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.702 -0.955 4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.680 -0.106 3.417 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.112 0.918 4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.512 -1.050 4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.356 -1.164 6.199 1.00 0.00 H new ATOM 0 HE ARG A 24 9.212 -2.497 3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.894 -2.661 6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.019 -4.421 6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.406 -4.772 3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.624 -5.604 4.801 1.00 0.00 H new ATOM 346 N PHE A 25 7.002 0.013 2.376 1.00 0.00 N ATOM 347 CA PHE A 25 6.531 -0.122 1.000 1.00 0.00 C ATOM 348 C PHE A 25 5.046 -0.423 0.987 1.00 0.00 C ATOM 349 O PHE A 25 4.465 -0.937 1.945 1.00 0.00 O ATOM 350 CB PHE A 25 7.237 -1.236 0.240 1.00 0.00 C ATOM 351 CG PHE A 25 8.716 -1.276 0.541 1.00 0.00 C ATOM 352 CD1 PHE A 25 9.492 -0.228 0.233 1.00 0.00 C ATOM 353 CD2 PHE A 25 9.257 -2.369 1.098 1.00 0.00 C ATOM 354 CE1 PHE A 25 10.807 -0.269 0.486 1.00 0.00 C ATOM 355 CE2 PHE A 25 10.573 -2.411 1.348 1.00 0.00 C ATOM 356 CZ PHE A 25 11.348 -1.361 1.043 1.00 0.00 C ATOM 0 H PHE A 25 7.400 -0.833 2.783 1.00 0.00 H new ATOM 0 HA PHE A 25 6.750 0.826 0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.788 -2.194 0.501 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.088 -1.095 -0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.057 0.651 -0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.633 -3.215 1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.431 0.578 0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.009 -3.292 1.796 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.408 -1.395 1.246 1.00 0.00 H new ATOM 366 N GLY A 26 4.481 -0.103 -0.162 1.00 0.00 N ATOM 367 CA GLY A 26 3.051 -0.312 -0.384 1.00 0.00 C ATOM 368 C GLY A 26 2.890 -1.495 -1.322 1.00 0.00 C ATOM 369 O GLY A 26 3.088 -1.339 -2.527 1.00 0.00 O ATOM 0 H GLY A 26 4.981 0.300 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.543 -0.503 0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.598 0.581 -0.815 1.00 0.00 H new ATOM 373 N LYS A 27 2.535 -2.659 -0.786 1.00 0.00 N ATOM 374 CA LYS A 27 2.373 -3.837 -1.662 1.00 0.00 C ATOM 375 C LYS A 27 0.915 -3.992 -2.072 1.00 0.00 C ATOM 376 O LYS A 27 0.057 -4.282 -1.243 1.00 0.00 O ATOM 377 CB LYS A 27 2.876 -5.091 -0.945 1.00 0.00 C ATOM 378 CG LYS A 27 2.972 -6.270 -1.910 1.00 0.00 C ATOM 379 CD LYS A 27 3.553 -7.489 -1.199 1.00 0.00 C ATOM 380 CE LYS A 27 3.656 -8.669 -2.161 1.00 0.00 C ATOM 381 NZ LYS A 27 4.217 -9.833 -1.461 1.00 0.00 N ATOM 0 H LYS A 27 2.358 -2.820 0.206 1.00 0.00 H new ATOM 0 HA LYS A 27 2.965 -3.696 -2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.854 -4.895 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.202 -5.341 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.984 -6.507 -2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.599 -6.003 -2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.539 -7.250 -0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.923 -7.757 -0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.671 -8.912 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.287 -8.404 -3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.285 -10.635 -2.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.164 -9.599 -1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.599 -10.091 -0.665 1.00 0.00 H new ATOM 394 N CYS A 28 0.610 -3.826 -3.351 1.00 0.00 N ATOM 395 CA CYS A 28 -0.791 -3.972 -3.749 1.00 0.00 C ATOM 396 C CYS A 28 -1.205 -5.432 -3.677 1.00 0.00 C ATOM 397 O CYS A 28 -0.494 -6.341 -4.103 1.00 0.00 O ATOM 398 CB CYS A 28 -1.063 -3.376 -5.129 1.00 0.00 C ATOM 399 SG CYS A 28 -2.819 -3.426 -5.558 1.00 0.00 S ATOM 0 H CYS A 28 1.268 -3.603 -4.097 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.401 -3.405 -3.046 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.714 -2.344 -5.153 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.491 -3.923 -5.879 1.00 0.00 H new ATOM 404 N MET A 29 -2.376 -5.655 -3.113 1.00 0.00 N ATOM 405 CA MET A 29 -2.861 -7.029 -2.995 1.00 0.00 C ATOM 406 C MET A 29 -4.364 -6.992 -2.772 1.00 0.00 C ATOM 407 O MET A 29 -4.858 -6.180 -1.989 1.00 0.00 O ATOM 408 CB MET A 29 -2.164 -7.697 -1.808 1.00 0.00 C ATOM 409 CG MET A 29 -2.511 -9.182 -1.699 1.00 0.00 C ATOM 410 SD MET A 29 -1.990 -10.043 -3.192 1.00 0.00 S ATOM 411 CE MET A 29 -2.510 -11.709 -2.752 1.00 0.00 C ATOM 0 H MET A 29 -2.995 -4.936 -2.739 1.00 0.00 H new ATOM 0 HA MET A 29 -2.644 -7.596 -3.900 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.085 -7.584 -1.911 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.451 -7.189 -0.887 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.020 -9.616 -0.828 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.584 -9.304 -1.554 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.267 -12.393 -3.565 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.992 -12.024 -1.846 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.586 -11.720 -2.578 1.00 0.00 H new ATOM 421 N ASN A 30 -5.077 -7.841 -3.514 1.00 0.00 N ATOM 422 CA ASN A 30 -6.547 -7.927 -3.414 1.00 0.00 C ATOM 423 C ASN A 30 -7.249 -6.595 -3.665 1.00 0.00 C ATOM 424 O ASN A 30 -8.165 -6.215 -2.936 1.00 0.00 O ATOM 425 CB ASN A 30 -6.926 -8.460 -2.034 1.00 0.00 C ATOM 426 CG ASN A 30 -6.295 -9.822 -1.793 1.00 0.00 C ATOM 427 OD1 ASN A 30 -6.015 -10.579 -2.721 1.00 0.00 O ATOM 428 ND2 ASN A 30 -6.065 -10.147 -0.535 1.00 0.00 N ATOM 0 H ASN A 30 -4.666 -8.482 -4.193 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.883 -8.606 -4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.598 -7.760 -1.265 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.010 -8.536 -1.953 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.644 -11.048 -0.310 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.309 -9.497 0.212 1.00 0.00 H new ATOM 435 N ARG A 31 -6.775 -5.875 -4.676 1.00 0.00 N ATOM 436 CA ARG A 31 -7.340 -4.571 -5.031 1.00 0.00 C ATOM 437 C ARG A 31 -7.217 -3.556 -3.884 1.00 0.00 C ATOM 438 O ARG A 31 -8.098 -2.720 -3.692 1.00 0.00 O ATOM 439 CB ARG A 31 -8.775 -4.722 -5.544 1.00 0.00 C ATOM 440 CG ARG A 31 -9.172 -3.561 -6.460 1.00 0.00 C ATOM 441 CD ARG A 31 -10.631 -3.668 -6.902 1.00 0.00 C ATOM 442 NE ARG A 31 -10.816 -4.839 -7.761 1.00 0.00 N ATOM 443 CZ ARG A 31 -12.017 -5.105 -8.251 1.00 0.00 C ATOM 444 NH1 ARG A 31 -13.049 -4.327 -7.975 1.00 0.00 N ATOM 445 NH2 ARG A 31 -12.186 -6.161 -9.026 1.00 0.00 N ATOM 0 H ARG A 31 -5.999 -6.171 -5.268 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.750 -4.160 -5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.871 -5.663 -6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.461 -4.770 -4.698 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.017 -2.616 -5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.525 -3.551 -7.337 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.278 -3.743 -6.028 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.923 -2.765 -7.438 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.026 -5.445 -7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.926 -3.509 -7.378 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.969 -4.544 -8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.394 -6.766 -9.244 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.108 -6.372 -9.407 1.00 0.00 H new ATOM 458 N LYS A 32 -6.116 -3.575 -3.133 1.00 0.00 N ATOM 459 CA LYS A 32 -5.982 -2.616 -2.034 1.00 0.00 C ATOM 460 C LYS A 32 -4.537 -2.611 -1.553 1.00 0.00 C ATOM 461 O LYS A 32 -3.858 -3.634 -1.596 1.00 0.00 O ATOM 462 CB LYS A 32 -6.882 -3.073 -0.889 1.00 0.00 C ATOM 463 CG LYS A 32 -7.966 -2.047 -0.565 1.00 0.00 C ATOM 464 CD LYS A 32 -8.904 -2.601 0.503 1.00 0.00 C ATOM 465 CE LYS A 32 -10.081 -1.655 0.724 1.00 0.00 C ATOM 466 NZ LYS A 32 -10.961 -2.191 1.773 1.00 0.00 N ATOM 0 H LYS A 32 -5.332 -4.216 -3.256 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.263 -1.617 -2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.349 -4.022 -1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.276 -3.252 -0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.509 -1.121 -0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.530 -1.804 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.270 -3.582 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.360 -2.738 1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.717 -0.668 1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.639 -1.532 -0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.761 -1.543 1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.319 -3.123 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.426 -2.287 2.660 1.00 0.00 H new ATOM 479 N CYS A 33 -4.036 -1.481 -1.081 1.00 0.00 N ATOM 480 CA CYS A 33 -2.652 -1.483 -0.624 1.00 0.00 C ATOM 481 C CYS A 33 -2.404 -2.043 0.761 1.00 0.00 C ATOM 482 O CYS A 33 -2.772 -1.466 1.782 1.00 0.00 O ATOM 483 CB CYS A 33 -2.190 -0.047 -0.560 1.00 0.00 C ATOM 484 SG CYS A 33 -2.477 0.687 -2.163 1.00 0.00 S ATOM 0 H CYS A 33 -4.533 -0.594 -1.005 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.125 -2.123 -1.331 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.735 0.496 0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.133 0.003 -0.300 1.00 0.00 H new ATOM 489 N HIS A 34 -1.796 -3.209 0.742 1.00 0.00 N ATOM 490 CA HIS A 34 -1.450 -3.895 1.986 1.00 0.00 C ATOM 491 C HIS A 34 -0.004 -3.469 2.080 1.00 0.00 C ATOM 492 O HIS A 34 0.820 -3.942 1.301 1.00 0.00 O ATOM 493 CB HIS A 34 -1.541 -5.417 1.885 1.00 0.00 C ATOM 494 CG HIS A 34 -2.962 -5.903 2.036 1.00 0.00 C ATOM 495 ND1 HIS A 34 -3.464 -6.523 3.171 1.00 0.00 N ATOM 496 CD2 HIS A 34 -3.924 -5.836 1.028 1.00 0.00 C ATOM 497 CE1 HIS A 34 -4.735 -6.776 2.714 1.00 0.00 C ATOM 498 NE2 HIS A 34 -5.106 -6.402 1.452 1.00 0.00 N ATOM 0 H HIS A 34 -1.529 -3.705 -0.108 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.100 -3.654 2.827 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.146 -5.742 0.923 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.918 -5.871 2.655 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.764 -5.401 0.052 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.446 -7.274 3.356 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.997 -6.510 0.967 1.00 0.00 H new ATOM 506 N CYS A 35 0.333 -2.584 2.996 1.00 0.00 N ATOM 507 CA CYS A 35 1.732 -2.168 3.072 1.00 0.00 C ATOM 508 C CYS A 35 2.619 -3.215 3.729 1.00 0.00 C ATOM 509 O CYS A 35 2.279 -4.397 3.736 1.00 0.00 O ATOM 510 CB CYS A 35 1.777 -0.793 3.721 1.00 0.00 C ATOM 511 SG CYS A 35 0.546 0.256 2.924 1.00 0.00 S ATOM 0 H CYS A 35 -0.300 -2.153 3.670 1.00 0.00 H new ATOM 0 HA CYS A 35 2.159 -2.083 2.073 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.574 -0.871 4.789 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.771 -0.357 3.617 1.00 0.00 H new ATOM 516 N THR A 36 3.736 -2.767 4.296 1.00 0.00 N ATOM 517 CA THR A 36 4.662 -3.707 4.948 1.00 0.00 C ATOM 518 C THR A 36 5.214 -3.043 6.221 1.00 0.00 C ATOM 519 O THR A 36 6.006 -2.116 6.079 1.00 0.00 O ATOM 520 CB THR A 36 5.813 -3.920 3.966 1.00 0.00 C ATOM 521 OG1 THR A 36 5.278 -4.347 2.722 1.00 0.00 O ATOM 522 CG2 THR A 36 6.772 -4.992 4.479 1.00 0.00 C ATOM 0 H THR A 36 4.023 -1.788 4.322 1.00 0.00 H new ATOM 0 HA THR A 36 4.175 -4.646 5.208 1.00 0.00 H new ATOM 0 HB THR A 36 6.358 -2.983 3.855 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.008 -4.486 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.583 -5.127 3.764 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.183 -4.683 5.440 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.235 -5.933 4.600 1.00 0.00 H new ATOM 530 N PRO A 37 4.907 -3.436 7.467 1.00 0.00 N ATOM 531 CA PRO A 37 5.480 -2.741 8.618 1.00 0.00 C ATOM 532 C PRO A 37 6.988 -2.847 8.777 1.00 0.00 C ATOM 533 O PRO A 37 7.605 -3.881 8.525 1.00 0.00 O ATOM 534 CB PRO A 37 4.757 -3.377 9.802 1.00 0.00 C ATOM 535 CG PRO A 37 3.396 -3.763 9.236 1.00 0.00 C ATOM 536 CD PRO A 37 3.712 -4.217 7.815 1.00 0.00 C ATOM 0 HA PRO A 37 5.339 -1.665 8.514 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.295 -4.247 10.178 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.661 -2.679 10.633 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.932 -4.560 9.817 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.705 -2.920 9.243 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.905 -5.289 7.769 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.886 -4.012 7.134 1.00 0.00 H new ATOM 544 N LYS A 38 7.569 -1.736 9.203 1.00 0.00 N ATOM 545 CA LYS A 38 9.018 -1.701 9.400 1.00 0.00 C ATOM 546 C LYS A 38 9.402 -2.638 10.535 1.00 0.00 C ATOM 547 O LYS A 38 10.486 -3.216 10.600 1.00 0.00 O ATOM 548 CB LYS A 38 9.455 -0.284 9.773 1.00 0.00 C ATOM 549 CG LYS A 38 9.201 0.723 8.652 1.00 0.00 C ATOM 550 CD LYS A 38 9.725 2.098 9.055 1.00 0.00 C ATOM 551 CE LYS A 38 9.483 3.109 7.938 1.00 0.00 C ATOM 552 NZ LYS A 38 9.992 4.428 8.341 1.00 0.00 N ATOM 553 OXT LYS A 38 8.402 -2.754 11.464 1.00 0.00 O ATOM 0 H LYS A 38 7.080 -0.867 9.415 1.00 0.00 H new ATOM 0 HA LYS A 38 9.507 -2.011 8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.921 0.033 10.669 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.517 -0.288 10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.692 0.392 7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.134 0.780 8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.230 2.430 9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.791 2.038 9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.979 2.781 7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.418 3.172 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.825 5.113 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.499 4.742 9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.013 4.363 8.531 1.00 0.00 H new TER 567 LYS A 38