USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 436 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 44 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.7) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 32 THR OG1 : rot 136:sc= 1.5 USER MOD Set 2.2: A 34 SER OG : rot 180:sc= 1 USER MOD Set 3.1: A 5 ASN : amide:sc= 0.437 K(o=0.57,f=-0.078) USER MOD Set 3.2: A 23 GLN : amide:sc= 0.129 X(o=0.57,f=0.11) USER MOD Set 4.1: A 1 ALA N :NH3+ 173:sc= 0.486 (180deg=0) USER MOD Set 4.2: A 3 GLN : amide:sc= 0.58 K(o=1.1,f=-5.5!) USER MOD Single : A 11 SER OG : rot -160:sc= 0.953 USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= -0.0494 (180deg=-0.0827) USER MOD Single : A 16 HIS : no HE2:sc= -0.202 K(o=-0.2,f=-1.7) USER MOD Single : A 20 GLN : amide:sc= 1.31 K(o=1.3,f=-0.28) USER MOD Single : A 24 THR OG1 : rot -72:sc= 0.733 USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0475) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0446) USER MOD Single : A 31 ASN : amide:sc= 1.4 K(o=1.4,f=-7.6!) USER MOD Single : A 37 LYS NZ :NH3+ -153:sc= -0.414 (180deg=-1.12) USER MOD Single : A 40 GLN : amide:sc= -0.869 X(o=-0.87,f=-0.87) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.378 -14.524 -10.763 1.00 0.00 N ATOM 2 CA ALA A 1 -2.253 -13.550 -11.440 1.00 0.00 C ATOM 3 C ALA A 1 -3.728 -13.857 -11.184 1.00 0.00 C ATOM 4 O ALA A 1 -4.450 -13.021 -10.645 1.00 0.00 O ATOM 5 CB ALA A 1 -1.953 -13.498 -12.941 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.391 -14.362 -11.050 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.462 -14.409 -9.733 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.662 -15.489 -11.028 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.044 -12.566 -11.020 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.611 -12.772 -13.419 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.915 -13.203 -13.095 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.119 -14.482 -13.379 1.00 0.00 H new ATOM 13 N ARG A 2 -4.157 -15.066 -11.564 1.00 0.00 N ATOM 14 CA ARG A 2 -5.479 -15.607 -11.266 1.00 0.00 C ATOM 15 C ARG A 2 -5.435 -16.529 -10.041 1.00 0.00 C ATOM 16 O ARG A 2 -6.485 -16.861 -9.494 1.00 0.00 O ATOM 17 CB ARG A 2 -6.053 -16.321 -12.500 1.00 0.00 C ATOM 18 CG ARG A 2 -5.194 -17.498 -12.986 1.00 0.00 C ATOM 19 CD ARG A 2 -5.845 -18.211 -14.174 1.00 0.00 C ATOM 20 NE ARG A 2 -7.109 -18.853 -13.794 1.00 0.00 N ATOM 21 CZ ARG A 2 -7.941 -19.466 -14.652 1.00 0.00 C ATOM 22 NH1 ARG A 2 -7.646 -19.544 -15.958 1.00 0.00 N ATOM 23 NH2 ARG A 2 -9.079 -20.007 -14.198 1.00 0.00 N ATOM 0 H ARG A 2 -3.575 -15.709 -12.101 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.146 -14.781 -11.018 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.053 -16.685 -12.266 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.158 -15.600 -13.310 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.207 -17.136 -13.273 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.049 -18.206 -12.170 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.027 -17.493 -14.974 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.160 -18.961 -14.569 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.374 -18.832 -12.809 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.781 -19.135 -16.311 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.287 -20.012 -16.599 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.310 -19.952 -13.206 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.715 -20.474 -14.844 1.00 0.00 H new ATOM 37 N GLN A 3 -4.233 -16.940 -9.609 1.00 0.00 N ATOM 38 CA GLN A 3 -4.019 -17.850 -8.492 1.00 0.00 C ATOM 39 C GLN A 3 -4.102 -17.076 -7.171 1.00 0.00 C ATOM 40 O GLN A 3 -3.135 -17.019 -6.412 1.00 0.00 O ATOM 41 CB GLN A 3 -2.665 -18.568 -8.648 1.00 0.00 C ATOM 42 CG GLN A 3 -2.421 -19.133 -10.056 1.00 0.00 C ATOM 43 CD GLN A 3 -1.655 -18.144 -10.938 1.00 0.00 C ATOM 44 OE1 GLN A 3 -2.250 -17.324 -11.632 1.00 0.00 O ATOM 45 NE2 GLN A 3 -0.323 -18.212 -10.908 1.00 0.00 N ATOM 0 H GLN A 3 -3.363 -16.635 -10.045 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.798 -18.612 -8.484 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.864 -17.870 -8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.611 -19.382 -7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.860 -20.065 -9.982 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.377 -19.372 -10.523 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.139 -18.906 -10.320 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.233 -17.570 -11.473 1.00 0.00 H new ATOM 54 N GLU A 4 -5.262 -16.466 -6.907 1.00 0.00 N ATOM 55 CA GLU A 4 -5.483 -15.568 -5.785 1.00 0.00 C ATOM 56 C GLU A 4 -6.987 -15.395 -5.548 1.00 0.00 C ATOM 57 O GLU A 4 -7.801 -15.963 -6.275 1.00 0.00 O ATOM 58 CB GLU A 4 -4.776 -14.228 -6.047 1.00 0.00 C ATOM 59 CG GLU A 4 -5.206 -13.581 -7.370 1.00 0.00 C ATOM 60 CD GLU A 4 -4.595 -12.193 -7.521 1.00 0.00 C ATOM 61 OE1 GLU A 4 -3.394 -12.134 -7.864 1.00 0.00 O ATOM 62 OE2 GLU A 4 -5.337 -11.215 -7.284 1.00 0.00 O ATOM 0 H GLU A 4 -6.091 -16.591 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.056 -15.992 -4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.989 -13.543 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.698 -14.387 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.898 -14.211 -8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.293 -13.510 -7.408 1.00 0.00 H new ATOM 69 N ASN A 5 -7.349 -14.617 -4.521 1.00 0.00 N ATOM 70 CA ASN A 5 -8.725 -14.460 -4.061 1.00 0.00 C ATOM 71 C ASN A 5 -8.958 -13.047 -3.504 1.00 0.00 C ATOM 72 O ASN A 5 -9.005 -12.873 -2.289 1.00 0.00 O ATOM 73 CB ASN A 5 -9.045 -15.572 -3.045 1.00 0.00 C ATOM 74 CG ASN A 5 -7.920 -15.825 -2.036 1.00 0.00 C ATOM 75 OD1 ASN A 5 -7.112 -16.732 -2.223 1.00 0.00 O ATOM 76 ND2 ASN A 5 -7.852 -15.031 -0.968 1.00 0.00 N ATOM 0 H ASN A 5 -6.678 -14.071 -3.980 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.415 -14.566 -4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.954 -15.308 -2.504 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.252 -16.496 -3.584 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.114 -15.167 -0.277 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.538 -14.287 -0.841 1.00 0.00 H new ATOM 83 N PRO A 6 -9.119 -12.032 -4.375 1.00 0.00 N ATOM 84 CA PRO A 6 -9.371 -10.645 -3.994 1.00 0.00 C ATOM 85 C PRO A 6 -10.462 -10.500 -2.930 1.00 0.00 C ATOM 86 O PRO A 6 -11.547 -11.062 -3.070 1.00 0.00 O ATOM 87 CB PRO A 6 -9.750 -9.925 -5.290 1.00 0.00 C ATOM 88 CG PRO A 6 -8.969 -10.708 -6.342 1.00 0.00 C ATOM 89 CD PRO A 6 -9.061 -12.143 -5.824 1.00 0.00 C ATOM 0 HA PRO A 6 -8.485 -10.212 -3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.824 -9.958 -5.474 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.462 -8.874 -5.270 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.410 -10.606 -7.334 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.936 -10.369 -6.416 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.946 -12.645 -6.215 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.198 -12.729 -6.138 1.00 0.00 H new ATOM 97 N CYS A 7 -10.157 -9.752 -1.863 1.00 0.00 N ATOM 98 CA CYS A 7 -11.031 -9.583 -0.711 1.00 0.00 C ATOM 99 C CYS A 7 -12.004 -8.419 -0.921 1.00 0.00 C ATOM 100 O CYS A 7 -11.932 -7.706 -1.921 1.00 0.00 O ATOM 101 CB CYS A 7 -10.176 -9.335 0.534 1.00 0.00 C ATOM 102 SG CYS A 7 -8.878 -10.552 0.869 1.00 0.00 S ATOM 0 H CYS A 7 -9.278 -9.241 -1.781 1.00 0.00 H new ATOM 0 HA CYS A 7 -11.621 -10.491 -0.582 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -9.710 -8.354 0.439 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -10.837 -9.292 1.400 1.00 0.00 H new ATOM 107 N GLY A 8 -12.908 -8.223 0.046 1.00 0.00 N ATOM 108 CA GLY A 8 -13.831 -7.103 0.081 1.00 0.00 C ATOM 109 C GLY A 8 -13.121 -5.823 0.531 1.00 0.00 C ATOM 110 O GLY A 8 -11.968 -5.868 0.957 1.00 0.00 O ATOM 0 H GLY A 8 -13.013 -8.857 0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -14.266 -6.954 -0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.653 -7.326 0.761 1.00 0.00 H new ATOM 114 N PRO A 9 -13.801 -4.672 0.439 1.00 0.00 N ATOM 115 CA PRO A 9 -13.220 -3.364 0.694 1.00 0.00 C ATOM 116 C PRO A 9 -12.898 -3.162 2.174 1.00 0.00 C ATOM 117 O PRO A 9 -13.619 -3.648 3.044 1.00 0.00 O ATOM 118 CB PRO A 9 -14.273 -2.353 0.234 1.00 0.00 C ATOM 119 CG PRO A 9 -15.591 -3.120 0.338 1.00 0.00 C ATOM 120 CD PRO A 9 -15.188 -4.562 0.030 1.00 0.00 C ATOM 0 HA PRO A 9 -12.275 -3.249 0.163 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.277 -1.465 0.866 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.086 -2.017 -0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.031 -3.029 1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.329 -2.749 -0.373 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.815 -5.269 0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.303 -4.784 -1.031 1.00 0.00 H new ATOM 128 N CYS A 10 -11.818 -2.420 2.443 1.00 0.00 N ATOM 129 CA CYS A 10 -11.440 -2.001 3.785 1.00 0.00 C ATOM 130 C CYS A 10 -12.165 -0.702 4.143 1.00 0.00 C ATOM 131 O CYS A 10 -12.740 -0.590 5.224 1.00 0.00 O ATOM 132 CB CYS A 10 -9.921 -1.810 3.874 1.00 0.00 C ATOM 133 SG CYS A 10 -8.923 -3.272 3.479 1.00 0.00 S ATOM 0 H CYS A 10 -11.177 -2.092 1.720 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.730 -2.775 4.496 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.634 -1.003 3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.672 -1.484 4.884 1.00 0.00 H new ATOM 138 N SER A 11 -12.120 0.282 3.234 1.00 0.00 N ATOM 139 CA SER A 11 -12.636 1.625 3.445 1.00 0.00 C ATOM 140 C SER A 11 -14.133 1.699 3.129 1.00 0.00 C ATOM 141 O SER A 11 -14.954 1.700 4.044 1.00 0.00 O ATOM 142 CB SER A 11 -11.810 2.605 2.602 1.00 0.00 C ATOM 143 OG SER A 11 -11.762 2.181 1.254 1.00 0.00 O ATOM 0 H SER A 11 -11.711 0.153 2.309 1.00 0.00 H new ATOM 0 HA SER A 11 -12.538 1.901 4.495 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.247 3.602 2.660 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.799 2.676 3.003 1.00 0.00 H new ATOM 0 HG SER A 11 -11.004 2.609 0.803 1.00 0.00 H new ATOM 149 N GLU A 12 -14.483 1.778 1.838 1.00 0.00 N ATOM 150 CA GLU A 12 -15.850 1.956 1.364 1.00 0.00 C ATOM 151 C GLU A 12 -15.989 1.399 -0.063 1.00 0.00 C ATOM 152 O GLU A 12 -15.281 0.460 -0.419 1.00 0.00 O ATOM 153 CB GLU A 12 -16.297 3.420 1.575 1.00 0.00 C ATOM 154 CG GLU A 12 -15.313 4.500 1.095 1.00 0.00 C ATOM 155 CD GLU A 12 -15.071 4.471 -0.409 1.00 0.00 C ATOM 156 OE1 GLU A 12 -15.958 4.968 -1.135 1.00 0.00 O ATOM 157 OE2 GLU A 12 -14.007 3.948 -0.804 1.00 0.00 O ATOM 0 H GLU A 12 -13.802 1.718 1.081 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.556 1.370 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -17.247 3.567 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -16.483 3.573 2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.696 5.481 1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.362 4.370 1.611 1.00 0.00 H new ATOM 164 N ARG A 13 -16.886 1.952 -0.888 1.00 0.00 N ATOM 165 CA ARG A 13 -17.261 1.363 -2.169 1.00 0.00 C ATOM 166 C ARG A 13 -16.348 1.824 -3.306 1.00 0.00 C ATOM 167 O ARG A 13 -16.040 1.034 -4.197 1.00 0.00 O ATOM 168 CB ARG A 13 -18.738 1.673 -2.473 1.00 0.00 C ATOM 169 CG ARG A 13 -19.072 3.172 -2.531 1.00 0.00 C ATOM 170 CD ARG A 13 -20.557 3.377 -2.844 1.00 0.00 C ATOM 171 NE ARG A 13 -20.899 4.805 -2.895 1.00 0.00 N ATOM 172 CZ ARG A 13 -21.128 5.590 -1.828 1.00 0.00 C ATOM 173 NH1 ARG A 13 -21.050 5.104 -0.581 1.00 0.00 N ATOM 174 NH2 ARG A 13 -21.440 6.880 -2.013 1.00 0.00 N ATOM 0 H ARG A 13 -17.372 2.825 -0.680 1.00 0.00 H new ATOM 0 HA ARG A 13 -17.135 0.283 -2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -19.004 1.217 -3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -19.360 1.204 -1.711 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -18.826 3.643 -1.579 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -18.463 3.657 -3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -20.798 2.909 -3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -21.163 2.883 -2.085 1.00 0.00 H new ATOM 0 HE ARG A 13 -20.968 5.237 -3.817 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -20.814 4.123 -0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -21.227 5.715 0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -21.502 7.259 -2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -21.615 7.483 -1.209 1.00 0.00 H new ATOM 188 N ARG A 14 -15.907 3.086 -3.281 1.00 0.00 N ATOM 189 CA ARG A 14 -15.077 3.685 -4.316 1.00 0.00 C ATOM 190 C ARG A 14 -13.596 3.584 -3.930 1.00 0.00 C ATOM 191 O ARG A 14 -12.837 4.538 -4.095 1.00 0.00 O ATOM 192 CB ARG A 14 -15.554 5.133 -4.525 1.00 0.00 C ATOM 193 CG ARG A 14 -15.274 5.668 -5.936 1.00 0.00 C ATOM 194 CD ARG A 14 -16.144 5.027 -7.027 1.00 0.00 C ATOM 195 NE ARG A 14 -17.580 5.235 -6.779 1.00 0.00 N ATOM 196 CZ ARG A 14 -18.459 4.327 -6.317 1.00 0.00 C ATOM 197 NH1 ARG A 14 -18.085 3.080 -5.993 1.00 0.00 N ATOM 198 NH2 ARG A 14 -19.744 4.678 -6.177 1.00 0.00 N ATOM 0 H ARG A 14 -16.126 3.729 -2.520 1.00 0.00 H new ATOM 0 HA ARG A 14 -15.175 3.154 -5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.625 5.187 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.064 5.778 -3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -15.434 6.746 -5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.224 5.500 -6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -15.879 5.448 -7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -15.935 3.958 -7.076 1.00 0.00 H new ATOM 0 HE ARG A 14 -17.947 6.165 -6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -17.110 2.797 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.775 2.415 -5.645 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.044 5.622 -6.419 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -20.422 4.001 -5.828 1.00 0.00 H new ATOM 212 N LYS A 15 -13.180 2.417 -3.417 1.00 0.00 N ATOM 213 CA LYS A 15 -11.873 2.204 -2.803 1.00 0.00 C ATOM 214 C LYS A 15 -10.717 2.066 -3.804 1.00 0.00 C ATOM 215 O LYS A 15 -9.679 1.513 -3.453 1.00 0.00 O ATOM 216 CB LYS A 15 -11.945 1.009 -1.833 1.00 0.00 C ATOM 217 CG LYS A 15 -11.886 -0.401 -2.455 1.00 0.00 C ATOM 218 CD LYS A 15 -12.979 -0.692 -3.494 1.00 0.00 C ATOM 219 CE LYS A 15 -12.834 -2.097 -4.091 1.00 0.00 C ATOM 220 NZ LYS A 15 -13.032 -3.158 -3.089 1.00 0.00 N ATOM 0 H LYS A 15 -13.761 1.579 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.635 3.110 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.124 1.100 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.871 1.090 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.912 -0.535 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.958 -1.139 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.959 -0.594 -3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.930 0.049 -4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.558 -2.223 -4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.843 -2.200 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.991 -4.087 -3.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.285 -3.099 -2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.960 -3.039 -2.636 1.00 0.00 H new ATOM 234 N HIS A 16 -10.861 2.566 -5.037 1.00 0.00 N ATOM 235 CA HIS A 16 -9.839 2.438 -6.071 1.00 0.00 C ATOM 236 C HIS A 16 -8.529 3.159 -5.718 1.00 0.00 C ATOM 237 O HIS A 16 -7.478 2.802 -6.246 1.00 0.00 O ATOM 238 CB HIS A 16 -10.400 2.874 -7.430 1.00 0.00 C ATOM 239 CG HIS A 16 -10.647 4.353 -7.593 1.00 0.00 C ATOM 240 ND1 HIS A 16 -11.582 5.058 -6.846 1.00 0.00 N ATOM 241 CD2 HIS A 16 -10.121 5.271 -8.470 1.00 0.00 C ATOM 242 CE1 HIS A 16 -11.603 6.315 -7.323 1.00 0.00 C ATOM 243 NE2 HIS A 16 -10.726 6.513 -8.308 1.00 0.00 N ATOM 0 H HIS A 16 -11.693 3.071 -5.342 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.571 1.383 -6.136 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.708 2.552 -8.208 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.339 2.347 -7.601 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -12.147 4.691 -6.080 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.343 5.057 -9.188 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.262 7.084 -6.948 1.00 0.00 H new ATOM 251 N LEU A 17 -8.581 4.150 -4.816 1.00 0.00 N ATOM 252 CA LEU A 17 -7.402 4.807 -4.259 1.00 0.00 C ATOM 253 C LEU A 17 -6.544 3.810 -3.467 1.00 0.00 C ATOM 254 O LEU A 17 -5.322 3.956 -3.404 1.00 0.00 O ATOM 255 CB LEU A 17 -7.826 5.964 -3.338 1.00 0.00 C ATOM 256 CG LEU A 17 -8.292 7.253 -4.040 1.00 0.00 C ATOM 257 CD1 LEU A 17 -7.149 7.945 -4.793 1.00 0.00 C ATOM 258 CD2 LEU A 17 -9.476 7.036 -4.983 1.00 0.00 C ATOM 0 H LEU A 17 -9.459 4.519 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.810 5.199 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.633 5.613 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.986 6.211 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.630 7.905 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.524 8.849 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.358 8.208 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.752 7.270 -5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.753 7.984 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.197 6.323 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.323 6.646 -4.419 1.00 0.00 H new ATOM 270 N PHE A 18 -7.188 2.805 -2.862 1.00 0.00 N ATOM 271 CA PHE A 18 -6.548 1.755 -2.089 1.00 0.00 C ATOM 272 C PHE A 18 -6.193 0.596 -3.017 1.00 0.00 C ATOM 273 O PHE A 18 -6.979 0.231 -3.890 1.00 0.00 O ATOM 274 CB PHE A 18 -7.481 1.256 -0.976 1.00 0.00 C ATOM 275 CG PHE A 18 -7.923 2.299 0.037 1.00 0.00 C ATOM 276 CD1 PHE A 18 -8.892 3.261 -0.309 1.00 0.00 C ATOM 277 CD2 PHE A 18 -7.417 2.267 1.350 1.00 0.00 C ATOM 278 CE1 PHE A 18 -9.300 4.224 0.629 1.00 0.00 C ATOM 279 CE2 PHE A 18 -7.838 3.221 2.293 1.00 0.00 C ATOM 280 CZ PHE A 18 -8.757 4.219 1.925 1.00 0.00 C ATOM 0 H PHE A 18 -8.202 2.705 -2.904 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.644 2.155 -1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.370 0.827 -1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.979 0.449 -0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.323 3.258 -1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.703 1.508 1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.032 4.969 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.455 3.187 3.302 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.045 4.979 2.636 1.00 0.00 H new ATOM 290 N VAL A 19 -5.012 0.012 -2.800 1.00 0.00 N ATOM 291 CA VAL A 19 -4.572 -1.230 -3.415 1.00 0.00 C ATOM 292 C VAL A 19 -4.531 -2.283 -2.307 1.00 0.00 C ATOM 293 O VAL A 19 -4.013 -2.015 -1.223 1.00 0.00 O ATOM 294 CB VAL A 19 -3.228 -1.048 -4.146 1.00 0.00 C ATOM 295 CG1 VAL A 19 -3.431 -0.176 -5.392 1.00 0.00 C ATOM 296 CG2 VAL A 19 -2.121 -0.426 -3.283 1.00 0.00 C ATOM 0 H VAL A 19 -4.316 0.409 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.261 -1.558 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.895 -2.052 -4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.478 -0.049 -5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.144 -0.658 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.815 0.800 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.209 -0.333 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.436 0.561 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.931 -1.064 -2.420 1.00 0.00 H new ATOM 306 N GLN A 20 -5.116 -3.458 -2.572 1.00 0.00 N ATOM 307 CA GLN A 20 -5.361 -4.491 -1.575 1.00 0.00 C ATOM 308 C GLN A 20 -4.622 -5.778 -1.933 1.00 0.00 C ATOM 309 O GLN A 20 -4.594 -6.177 -3.096 1.00 0.00 O ATOM 310 CB GLN A 20 -6.873 -4.717 -1.458 1.00 0.00 C ATOM 311 CG GLN A 20 -7.226 -5.701 -0.334 1.00 0.00 C ATOM 312 CD GLN A 20 -8.730 -5.741 -0.077 1.00 0.00 C ATOM 313 OE1 GLN A 20 -9.529 -5.586 -0.997 1.00 0.00 O ATOM 314 NE2 GLN A 20 -9.125 -5.946 1.180 1.00 0.00 N ATOM 0 H GLN A 20 -5.436 -3.716 -3.506 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.978 -4.168 -0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.368 -3.764 -1.273 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.256 -5.097 -2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.874 -6.698 -0.598 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.707 -5.412 0.580 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.432 -6.071 1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.120 -5.978 1.403 1.00 0.00 H new ATOM 323 N ASP A 21 -4.037 -6.428 -0.919 1.00 0.00 N ATOM 324 CA ASP A 21 -3.385 -7.718 -1.065 1.00 0.00 C ATOM 325 C ASP A 21 -4.468 -8.799 -0.998 1.00 0.00 C ATOM 326 O ASP A 21 -5.224 -8.820 -0.031 1.00 0.00 O ATOM 327 CB ASP A 21 -2.357 -7.900 0.055 1.00 0.00 C ATOM 328 CG ASP A 21 -1.665 -9.257 -0.049 1.00 0.00 C ATOM 329 OD1 ASP A 21 -2.203 -10.217 0.543 1.00 0.00 O ATOM 330 OD2 ASP A 21 -0.615 -9.312 -0.725 1.00 0.00 O ATOM 0 H ASP A 21 -4.007 -6.062 0.033 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.858 -7.787 -2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.614 -7.104 0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.850 -7.813 1.023 1.00 0.00 H new ATOM 335 N PRO A 22 -4.575 -9.691 -1.994 1.00 0.00 N ATOM 336 CA PRO A 22 -5.691 -10.619 -2.101 1.00 0.00 C ATOM 337 C PRO A 22 -5.654 -11.729 -1.045 1.00 0.00 C ATOM 338 O PRO A 22 -6.695 -12.307 -0.748 1.00 0.00 O ATOM 339 CB PRO A 22 -5.606 -11.181 -3.522 1.00 0.00 C ATOM 340 CG PRO A 22 -4.112 -11.118 -3.833 1.00 0.00 C ATOM 341 CD PRO A 22 -3.679 -9.834 -3.128 1.00 0.00 C ATOM 0 HA PRO A 22 -6.638 -10.111 -1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.986 -12.201 -3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.189 -10.587 -4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.581 -11.990 -3.450 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.923 -11.075 -4.906 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.641 -9.897 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.752 -8.976 -3.796 1.00 0.00 H new ATOM 349 N GLN A 23 -4.483 -12.041 -0.476 1.00 0.00 N ATOM 350 CA GLN A 23 -4.326 -13.160 0.447 1.00 0.00 C ATOM 351 C GLN A 23 -4.587 -12.729 1.891 1.00 0.00 C ATOM 352 O GLN A 23 -5.236 -13.461 2.636 1.00 0.00 O ATOM 353 CB GLN A 23 -2.924 -13.768 0.300 1.00 0.00 C ATOM 354 CG GLN A 23 -2.611 -14.250 -1.125 1.00 0.00 C ATOM 355 CD GLN A 23 -3.579 -15.330 -1.610 1.00 0.00 C ATOM 356 OE1 GLN A 23 -3.318 -16.518 -1.439 1.00 0.00 O ATOM 357 NE2 GLN A 23 -4.697 -14.928 -2.217 1.00 0.00 N ATOM 0 H GLN A 23 -3.621 -11.522 -0.646 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.066 -13.920 0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.182 -13.026 0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.827 -14.607 0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.649 -13.401 -1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.593 -14.639 -1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.880 -13.932 -2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.369 -15.616 -2.557 1.00 0.00 H new ATOM 366 N THR A 24 -4.092 -11.550 2.285 1.00 0.00 N ATOM 367 CA THR A 24 -4.194 -11.037 3.648 1.00 0.00 C ATOM 368 C THR A 24 -5.339 -10.030 3.794 1.00 0.00 C ATOM 369 O THR A 24 -5.752 -9.752 4.918 1.00 0.00 O ATOM 370 CB THR A 24 -2.867 -10.381 4.060 1.00 0.00 C ATOM 371 OG1 THR A 24 -2.581 -9.285 3.217 1.00 0.00 O ATOM 372 CG2 THR A 24 -1.702 -11.375 4.021 1.00 0.00 C ATOM 0 H THR A 24 -3.602 -10.918 1.652 1.00 0.00 H new ATOM 0 HA THR A 24 -4.408 -11.881 4.304 1.00 0.00 H new ATOM 0 HB THR A 24 -2.982 -10.035 5.087 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.325 -9.613 2.330 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.783 -10.870 4.319 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.903 -12.198 4.707 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.590 -11.765 3.009 1.00 0.00 H new ATOM 380 N CYS A 25 -5.833 -9.477 2.677 1.00 0.00 N ATOM 381 CA CYS A 25 -6.864 -8.444 2.630 1.00 0.00 C ATOM 382 C CYS A 25 -6.369 -7.098 3.168 1.00 0.00 C ATOM 383 O CYS A 25 -7.182 -6.204 3.400 1.00 0.00 O ATOM 384 CB CYS A 25 -8.157 -8.896 3.327 1.00 0.00 C ATOM 385 SG CYS A 25 -8.773 -10.551 2.914 1.00 0.00 S ATOM 0 H CYS A 25 -5.510 -9.751 1.749 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.100 -8.290 1.577 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.995 -8.853 4.404 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.939 -8.174 3.093 1.00 0.00 H new ATOM 390 N LYS A 26 -5.052 -6.934 3.352 1.00 0.00 N ATOM 391 CA LYS A 26 -4.467 -5.688 3.818 1.00 0.00 C ATOM 392 C LYS A 26 -4.563 -4.645 2.706 1.00 0.00 C ATOM 393 O LYS A 26 -4.065 -4.882 1.606 1.00 0.00 O ATOM 394 CB LYS A 26 -3.008 -5.932 4.228 1.00 0.00 C ATOM 395 CG LYS A 26 -2.342 -4.639 4.716 1.00 0.00 C ATOM 396 CD LYS A 26 -0.916 -4.918 5.206 1.00 0.00 C ATOM 397 CE LYS A 26 -0.177 -3.619 5.551 1.00 0.00 C ATOM 398 NZ LYS A 26 -0.828 -2.888 6.652 1.00 0.00 N ATOM 0 H LYS A 26 -4.367 -7.670 3.179 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.007 -5.316 4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.971 -6.683 5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.452 -6.332 3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.318 -3.908 3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.931 -4.202 5.523 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.951 -5.562 6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.365 -5.458 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.852 -3.850 5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.134 -2.981 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.251 -2.062 6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.771 -2.571 6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.923 -3.515 7.477 1.00 0.00 H new ATOM 412 N CYS A 27 -5.182 -3.496 3.005 1.00 0.00 N ATOM 413 CA CYS A 27 -5.282 -2.366 2.092 1.00 0.00 C ATOM 414 C CYS A 27 -4.221 -1.330 2.448 1.00 0.00 C ATOM 415 O CYS A 27 -3.942 -1.104 3.624 1.00 0.00 O ATOM 416 CB CYS A 27 -6.670 -1.725 2.170 1.00 0.00 C ATOM 417 SG CYS A 27 -8.062 -2.777 1.687 1.00 0.00 S ATOM 0 H CYS A 27 -5.633 -3.329 3.905 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.123 -2.725 1.075 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.835 -1.387 3.193 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.674 -0.838 1.536 1.00 0.00 H new ATOM 422 N SER A 28 -3.639 -0.700 1.422 1.00 0.00 N ATOM 423 CA SER A 28 -2.703 0.408 1.554 1.00 0.00 C ATOM 424 C SER A 28 -3.006 1.423 0.456 1.00 0.00 C ATOM 425 O SER A 28 -3.346 1.034 -0.658 1.00 0.00 O ATOM 426 CB SER A 28 -1.262 -0.098 1.435 1.00 0.00 C ATOM 427 OG SER A 28 -0.986 -1.054 2.438 1.00 0.00 O ATOM 0 H SER A 28 -3.815 -0.959 0.451 1.00 0.00 H new ATOM 0 HA SER A 28 -2.812 0.877 2.532 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.106 -0.540 0.451 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.569 0.739 1.522 1.00 0.00 H new ATOM 0 HG SER A 28 -0.062 -1.367 2.346 1.00 0.00 H new ATOM 433 N CYS A 29 -2.894 2.719 0.765 1.00 0.00 N ATOM 434 CA CYS A 29 -3.218 3.780 -0.179 1.00 0.00 C ATOM 435 C CYS A 29 -2.057 4.058 -1.126 1.00 0.00 C ATOM 436 O CYS A 29 -0.926 4.253 -0.686 1.00 0.00 O ATOM 437 CB CYS A 29 -3.646 5.048 0.558 1.00 0.00 C ATOM 438 SG CYS A 29 -5.140 4.784 1.533 1.00 0.00 S ATOM 0 H CYS A 29 -2.577 3.055 1.674 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.058 3.441 -0.786 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.839 5.378 1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.819 5.847 -0.163 1.00 0.00 H new ATOM 443 N LYS A 30 -2.358 4.093 -2.429 1.00 0.00 N ATOM 444 CA LYS A 30 -1.421 4.523 -3.455 1.00 0.00 C ATOM 445 C LYS A 30 -1.145 6.022 -3.297 1.00 0.00 C ATOM 446 O LYS A 30 -0.007 6.466 -3.436 1.00 0.00 O ATOM 447 CB LYS A 30 -2.013 4.196 -4.834 1.00 0.00 C ATOM 448 CG LYS A 30 -1.025 4.497 -5.967 1.00 0.00 C ATOM 449 CD LYS A 30 -1.633 4.100 -7.319 1.00 0.00 C ATOM 450 CE LYS A 30 -0.642 4.298 -8.471 1.00 0.00 C ATOM 451 NZ LYS A 30 -0.261 5.711 -8.638 1.00 0.00 N ATOM 0 H LYS A 30 -3.269 3.820 -2.797 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.471 3.998 -3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.294 3.143 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.925 4.775 -4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.776 5.558 -5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.096 3.951 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.945 3.056 -7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.528 4.695 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.251 3.702 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.085 3.931 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.329 5.813 -9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.118 6.292 -8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.275 6.027 -7.805 1.00 0.00 H new ATOM 465 N ASN A 31 -2.200 6.791 -3.001 1.00 0.00 N ATOM 466 CA ASN A 31 -2.147 8.229 -2.797 1.00 0.00 C ATOM 467 C ASN A 31 -1.706 8.532 -1.362 1.00 0.00 C ATOM 468 O ASN A 31 -2.011 7.761 -0.453 1.00 0.00 O ATOM 469 CB ASN A 31 -3.531 8.805 -3.105 1.00 0.00 C ATOM 470 CG ASN A 31 -3.571 10.330 -3.076 1.00 0.00 C ATOM 471 OD1 ASN A 31 -2.580 10.995 -3.373 1.00 0.00 O ATOM 472 ND2 ASN A 31 -4.733 10.881 -2.723 1.00 0.00 N ATOM 0 H ASN A 31 -3.140 6.410 -2.895 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.418 8.693 -3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.850 8.459 -4.088 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.248 8.416 -2.382 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.827 11.896 -2.691 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.528 10.287 -2.485 1.00 0.00 H new ATOM 479 N THR A 32 -0.977 9.639 -1.165 1.00 0.00 N ATOM 480 CA THR A 32 -0.339 9.974 0.105 1.00 0.00 C ATOM 481 C THR A 32 -0.494 11.461 0.431 1.00 0.00 C ATOM 482 O THR A 32 -0.795 12.273 -0.442 1.00 0.00 O ATOM 483 CB THR A 32 1.153 9.612 0.060 1.00 0.00 C ATOM 484 OG1 THR A 32 1.809 10.432 -0.882 1.00 0.00 O ATOM 485 CG2 THR A 32 1.396 8.138 -0.279 1.00 0.00 C ATOM 0 H THR A 32 -0.815 10.332 -1.895 1.00 0.00 H new ATOM 0 HA THR A 32 -0.833 9.397 0.887 1.00 0.00 H new ATOM 0 HB THR A 32 1.557 9.781 1.058 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.653 10.755 -0.503 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.468 7.941 -0.297 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.923 7.509 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.970 7.915 -1.257 1.00 0.00 H new ATOM 493 N ASP A 33 -0.255 11.811 1.701 1.00 0.00 N ATOM 494 CA ASP A 33 -0.233 13.191 2.165 1.00 0.00 C ATOM 495 C ASP A 33 0.940 13.960 1.560 1.00 0.00 C ATOM 496 O ASP A 33 0.830 15.164 1.360 1.00 0.00 O ATOM 497 CB ASP A 33 -0.194 13.233 3.695 1.00 0.00 C ATOM 498 CG ASP A 33 -0.504 14.637 4.211 1.00 0.00 C ATOM 499 OD1 ASP A 33 -1.702 14.994 4.197 1.00 0.00 O ATOM 500 OD2 ASP A 33 0.461 15.329 4.602 1.00 0.00 O ATOM 0 H ASP A 33 -0.070 11.131 2.439 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.148 13.681 1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.916 12.525 4.101 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.790 12.921 4.046 1.00 0.00 H new ATOM 505 N SER A 34 2.052 13.277 1.261 1.00 0.00 N ATOM 506 CA SER A 34 3.187 13.884 0.582 1.00 0.00 C ATOM 507 C SER A 34 2.804 14.305 -0.840 1.00 0.00 C ATOM 508 O SER A 34 3.112 15.423 -1.247 1.00 0.00 O ATOM 509 CB SER A 34 4.389 12.934 0.604 1.00 0.00 C ATOM 510 OG SER A 34 4.102 11.712 -0.042 1.00 0.00 O ATOM 0 H SER A 34 2.183 12.291 1.485 1.00 0.00 H new ATOM 0 HA SER A 34 3.479 14.790 1.114 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.239 13.412 0.117 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.680 12.740 1.636 1.00 0.00 H new ATOM 0 HG SER A 34 4.891 11.132 -0.010 1.00 0.00 H new ATOM 516 N ARG A 35 2.125 13.422 -1.585 1.00 0.00 N ATOM 517 CA ARG A 35 1.636 13.725 -2.924 1.00 0.00 C ATOM 518 C ARG A 35 0.642 14.886 -2.883 1.00 0.00 C ATOM 519 O ARG A 35 0.768 15.831 -3.660 1.00 0.00 O ATOM 520 CB ARG A 35 0.961 12.496 -3.539 1.00 0.00 C ATOM 521 CG ARG A 35 1.939 11.401 -3.977 1.00 0.00 C ATOM 522 CD ARG A 35 1.175 10.100 -4.256 1.00 0.00 C ATOM 523 NE ARG A 35 -0.069 10.339 -5.003 1.00 0.00 N ATOM 524 CZ ARG A 35 -0.170 10.504 -6.331 1.00 0.00 C ATOM 525 NH1 ARG A 35 0.915 10.463 -7.117 1.00 0.00 N ATOM 526 NH2 ARG A 35 -1.375 10.716 -6.875 1.00 0.00 N ATOM 0 H ARG A 35 1.902 12.478 -1.270 1.00 0.00 H new ATOM 0 HA ARG A 35 2.490 14.009 -3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.263 12.077 -2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.374 12.810 -4.402 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.475 11.717 -4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.685 11.235 -3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.812 9.420 -4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.942 9.607 -3.312 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.933 10.383 -4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.836 10.304 -6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.820 10.590 -8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.204 10.751 -6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.464 10.843 -7.883 1.00 0.00 H new ATOM 540 N CYS A 36 -0.350 14.820 -1.984 1.00 0.00 N ATOM 541 CA CYS A 36 -1.330 15.887 -1.828 1.00 0.00 C ATOM 542 C CYS A 36 -0.629 17.209 -1.497 1.00 0.00 C ATOM 543 O CYS A 36 -0.931 18.227 -2.111 1.00 0.00 O ATOM 544 CB CYS A 36 -2.376 15.529 -0.763 1.00 0.00 C ATOM 545 SG CYS A 36 -3.426 14.083 -1.088 1.00 0.00 S ATOM 0 H CYS A 36 -0.489 14.031 -1.353 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.858 16.008 -2.774 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.855 15.364 0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -3.025 16.393 -0.622 1.00 0.00 H new ATOM 550 N LYS A 37 0.315 17.200 -0.550 1.00 0.00 N ATOM 551 CA LYS A 37 1.044 18.383 -0.107 1.00 0.00 C ATOM 552 C LYS A 37 1.891 18.988 -1.227 1.00 0.00 C ATOM 553 O LYS A 37 1.951 20.211 -1.346 1.00 0.00 O ATOM 554 CB LYS A 37 1.867 18.029 1.136 1.00 0.00 C ATOM 555 CG LYS A 37 2.617 19.235 1.710 1.00 0.00 C ATOM 556 CD LYS A 37 3.078 19.011 3.158 1.00 0.00 C ATOM 557 CE LYS A 37 3.985 17.787 3.347 1.00 0.00 C ATOM 558 NZ LYS A 37 3.220 16.536 3.511 1.00 0.00 N ATOM 0 H LYS A 37 0.596 16.349 -0.062 1.00 0.00 H new ATOM 0 HA LYS A 37 0.331 19.162 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.206 17.620 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.583 17.248 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.484 19.449 1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.971 20.112 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.609 19.899 3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.200 18.900 3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.648 17.694 2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.618 17.939 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.779 15.857 4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.328 16.737 4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.013 16.131 2.576 1.00 0.00 H new ATOM 572 N ALA A 38 2.519 18.152 -2.063 1.00 0.00 N ATOM 573 CA ALA A 38 3.217 18.605 -3.262 1.00 0.00 C ATOM 574 C ALA A 38 2.268 19.333 -4.225 1.00 0.00 C ATOM 575 O ALA A 38 2.705 20.205 -4.974 1.00 0.00 O ATOM 576 CB ALA A 38 3.889 17.413 -3.949 1.00 0.00 C ATOM 0 H ALA A 38 2.555 17.142 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 38 3.983 19.321 -2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.409 17.755 -4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.604 16.955 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.132 16.679 -4.227 1.00 0.00 H new ATOM 582 N ARG A 39 0.974 18.985 -4.189 1.00 0.00 N ATOM 583 CA ARG A 39 -0.083 19.611 -4.974 1.00 0.00 C ATOM 584 C ARG A 39 -0.867 20.637 -4.136 1.00 0.00 C ATOM 585 O ARG A 39 -1.939 21.066 -4.556 1.00 0.00 O ATOM 586 CB ARG A 39 -1.007 18.509 -5.517 1.00 0.00 C ATOM 587 CG ARG A 39 -0.270 17.591 -6.504 1.00 0.00 C ATOM 588 CD ARG A 39 -1.134 16.388 -6.895 1.00 0.00 C ATOM 589 NE ARG A 39 -1.286 15.451 -5.774 1.00 0.00 N ATOM 590 CZ ARG A 39 -1.944 14.282 -5.838 1.00 0.00 C ATOM 591 NH1 ARG A 39 -2.541 13.890 -6.972 1.00 0.00 N ATOM 592 NH2 ARG A 39 -2.003 13.498 -4.756 1.00 0.00 N ATOM 0 H ARG A 39 0.630 18.234 -3.591 1.00 0.00 H new ATOM 0 HA ARG A 39 0.357 20.159 -5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.395 17.917 -4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.865 18.964 -6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.002 18.155 -7.398 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.660 17.243 -6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.116 16.733 -7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.682 15.873 -7.743 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.861 15.707 -4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.499 14.482 -7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.037 12.999 -7.006 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.550 13.789 -3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.501 12.609 -4.797 1.00 0.00 H new ATOM 606 N GLN A 40 -0.336 21.044 -2.970 1.00 0.00 N ATOM 607 CA GLN A 40 -0.905 22.052 -2.077 1.00 0.00 C ATOM 608 C GLN A 40 -2.303 21.642 -1.593 1.00 0.00 C ATOM 609 O GLN A 40 -3.250 22.425 -1.645 1.00 0.00 O ATOM 610 CB GLN A 40 -0.855 23.452 -2.722 1.00 0.00 C ATOM 611 CG GLN A 40 0.566 24.036 -2.797 1.00 0.00 C ATOM 612 CD GLN A 40 1.552 23.179 -3.590 1.00 0.00 C ATOM 613 OE1 GLN A 40 2.532 22.688 -3.036 1.00 0.00 O ATOM 614 NE2 GLN A 40 1.299 22.989 -4.886 1.00 0.00 N ATOM 0 H GLN A 40 0.539 20.659 -2.615 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.290 22.113 -1.179 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.271 23.396 -3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.490 24.130 -2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.517 25.027 -3.249 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.947 24.167 -1.784 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.475 23.413 -5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.930 22.420 -5.451 1.00 0.00 H new ATOM 623 N LEU A 41 -2.409 20.395 -1.121 1.00 0.00 N ATOM 624 CA LEU A 41 -3.595 19.759 -0.563 1.00 0.00 C ATOM 625 C LEU A 41 -3.161 18.897 0.638 1.00 0.00 C ATOM 626 O LEU A 41 -1.978 18.864 0.970 1.00 0.00 O ATOM 627 CB LEU A 41 -4.259 18.911 -1.665 1.00 0.00 C ATOM 628 CG LEU A 41 -4.813 19.707 -2.863 1.00 0.00 C ATOM 629 CD1 LEU A 41 -5.245 18.746 -3.975 1.00 0.00 C ATOM 630 CD2 LEU A 41 -6.014 20.585 -2.495 1.00 0.00 C ATOM 0 H LEU A 41 -1.608 19.764 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.321 20.494 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.530 18.190 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.074 18.341 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.006 20.359 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.635 19.317 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.387 18.158 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.020 18.079 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.358 21.120 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.820 19.958 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.719 21.302 -1.729 1.00 0.00 H new ATOM 642 N GLU A 42 -4.092 18.183 1.287 1.00 0.00 N ATOM 643 CA GLU A 42 -3.787 17.191 2.321 1.00 0.00 C ATOM 644 C GLU A 42 -4.661 15.951 2.140 1.00 0.00 C ATOM 645 O GLU A 42 -5.797 16.052 1.689 1.00 0.00 O ATOM 646 CB GLU A 42 -3.984 17.770 3.727 1.00 0.00 C ATOM 647 CG GLU A 42 -2.810 18.662 4.146 1.00 0.00 C ATOM 648 CD GLU A 42 -2.939 19.138 5.591 1.00 0.00 C ATOM 649 OE1 GLU A 42 -3.292 18.297 6.447 1.00 0.00 O ATOM 650 OE2 GLU A 42 -2.671 20.337 5.818 1.00 0.00 O ATOM 0 H GLU A 42 -5.091 18.282 1.104 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.739 16.911 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.908 18.348 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.095 16.956 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.877 18.112 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.757 19.526 3.483 1.00 0.00 H new ATOM 657 N LEU A 43 -4.123 14.777 2.491 1.00 0.00 N ATOM 658 CA LEU A 43 -4.794 13.495 2.322 1.00 0.00 C ATOM 659 C LEU A 43 -5.809 13.275 3.441 1.00 0.00 C ATOM 660 O LEU A 43 -5.462 13.382 4.615 1.00 0.00 O ATOM 661 CB LEU A 43 -3.747 12.372 2.347 1.00 0.00 C ATOM 662 CG LEU A 43 -4.302 10.967 2.051 1.00 0.00 C ATOM 663 CD1 LEU A 43 -4.343 10.709 0.540 1.00 0.00 C ATOM 664 CD2 LEU A 43 -3.417 9.912 2.722 1.00 0.00 C ATOM 0 H LEU A 43 -3.195 14.696 2.906 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.321 13.490 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.970 12.602 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.270 12.360 3.327 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.316 10.905 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.738 9.711 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.984 11.449 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.335 10.783 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.812 8.918 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.401 9.989 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.407 10.077 3.799 1.00 0.00 H new ATOM 676 N ASN A 44 -7.047 12.930 3.072 1.00 0.00 N ATOM 677 CA ASN A 44 -8.061 12.458 4.001 1.00 0.00 C ATOM 678 C ASN A 44 -7.896 10.943 4.068 1.00 0.00 C ATOM 679 O ASN A 44 -8.367 10.244 3.178 1.00 0.00 O ATOM 680 CB ASN A 44 -9.455 12.843 3.490 1.00 0.00 C ATOM 681 CG ASN A 44 -10.590 12.195 4.286 1.00 0.00 C ATOM 682 OD1 ASN A 44 -10.385 11.645 5.366 1.00 0.00 O ATOM 683 ND2 ASN A 44 -11.806 12.254 3.740 1.00 0.00 N ATOM 0 H ASN A 44 -7.370 12.974 2.106 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.951 12.903 4.990 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.563 13.927 3.532 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.543 12.554 2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.602 11.835 4.221 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.940 12.719 2.842 1.00 0.00 H new ATOM 690 N GLU A 45 -7.227 10.450 5.117 1.00 0.00 N ATOM 691 CA GLU A 45 -6.828 9.055 5.296 1.00 0.00 C ATOM 692 C GLU A 45 -7.981 8.052 5.145 1.00 0.00 C ATOM 693 O GLU A 45 -7.730 6.885 4.852 1.00 0.00 O ATOM 694 CB GLU A 45 -6.161 8.874 6.670 1.00 0.00 C ATOM 695 CG GLU A 45 -4.743 9.462 6.765 1.00 0.00 C ATOM 696 CD GLU A 45 -4.681 10.986 6.671 1.00 0.00 C ATOM 697 OE1 GLU A 45 -5.614 11.633 7.193 1.00 0.00 O ATOM 698 OE2 GLU A 45 -3.694 11.478 6.081 1.00 0.00 O ATOM 0 H GLU A 45 -6.938 11.041 5.897 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.124 8.836 4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.788 9.341 7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.117 7.810 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.297 9.150 7.709 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.133 9.036 5.968 1.00 0.00 H new ATOM 705 N ARG A 46 -9.234 8.484 5.336 1.00 0.00 N ATOM 706 CA ARG A 46 -10.390 7.598 5.340 1.00 0.00 C ATOM 707 C ARG A 46 -10.801 7.230 3.912 1.00 0.00 C ATOM 708 O ARG A 46 -11.249 6.110 3.674 1.00 0.00 O ATOM 709 CB ARG A 46 -11.556 8.291 6.059 1.00 0.00 C ATOM 710 CG ARG A 46 -11.202 8.664 7.504 1.00 0.00 C ATOM 711 CD ARG A 46 -12.403 9.325 8.185 1.00 0.00 C ATOM 712 NE ARG A 46 -12.079 9.751 9.553 1.00 0.00 N ATOM 713 CZ ARG A 46 -12.036 8.948 10.630 1.00 0.00 C ATOM 714 NH1 ARG A 46 -12.274 7.633 10.522 1.00 0.00 N ATOM 715 NH2 ARG A 46 -11.750 9.470 11.830 1.00 0.00 N ATOM 0 H ARG A 46 -9.469 9.464 5.492 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.127 6.679 5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.836 9.191 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.425 7.633 6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.906 7.772 8.056 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.349 9.343 7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.725 10.187 7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.239 8.626 8.209 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.869 10.739 9.698 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.492 7.227 9.612 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.237 7.038 11.350 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.567 10.469 11.921 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.715 8.868 12.653 1.00 0.00 H new ATOM 729 N THR A 47 -10.645 8.169 2.971 1.00 0.00 N ATOM 730 CA THR A 47 -10.969 8.003 1.556 1.00 0.00 C ATOM 731 C THR A 47 -9.702 7.904 0.695 1.00 0.00 C ATOM 732 O THR A 47 -9.770 7.464 -0.451 1.00 0.00 O ATOM 733 CB THR A 47 -11.827 9.192 1.100 1.00 0.00 C ATOM 734 OG1 THR A 47 -11.097 10.398 1.215 1.00 0.00 O ATOM 735 CG2 THR A 47 -13.128 9.299 1.902 1.00 0.00 C ATOM 0 H THR A 47 -10.277 9.096 3.185 1.00 0.00 H new ATOM 0 HA THR A 47 -11.521 7.072 1.431 1.00 0.00 H new ATOM 0 HB THR A 47 -12.088 9.020 0.056 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.655 11.148 0.920 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.705 10.153 1.547 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.712 8.388 1.772 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.894 9.432 2.958 1.00 0.00 H new ATOM 743 N CYS A 48 -8.561 8.337 1.245 1.00 0.00 N ATOM 744 CA CYS A 48 -7.288 8.538 0.570 1.00 0.00 C ATOM 745 C CYS A 48 -7.429 9.368 -0.705 1.00 0.00 C ATOM 746 O CYS A 48 -6.824 9.064 -1.731 1.00 0.00 O ATOM 747 CB CYS A 48 -6.533 7.218 0.407 1.00 0.00 C ATOM 748 SG CYS A 48 -5.813 6.657 1.969 1.00 0.00 S ATOM 0 H CYS A 48 -8.507 8.569 2.237 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.653 9.152 1.209 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -7.212 6.456 0.026 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.743 7.340 -0.334 1.00 0.00 H new ATOM 753 N ARG A 49 -8.213 10.446 -0.605 1.00 0.00 N ATOM 754 CA ARG A 49 -8.350 11.486 -1.612 1.00 0.00 C ATOM 755 C ARG A 49 -7.766 12.774 -1.033 1.00 0.00 C ATOM 756 O ARG A 49 -7.652 12.907 0.186 1.00 0.00 O ATOM 757 CB ARG A 49 -9.832 11.658 -1.967 1.00 0.00 C ATOM 758 CG ARG A 49 -10.372 10.430 -2.711 1.00 0.00 C ATOM 759 CD ARG A 49 -11.898 10.505 -2.828 1.00 0.00 C ATOM 760 NE ARG A 49 -12.443 9.487 -3.736 1.00 0.00 N ATOM 761 CZ ARG A 49 -12.533 8.166 -3.508 1.00 0.00 C ATOM 762 NH1 ARG A 49 -12.019 7.596 -2.409 1.00 0.00 N ATOM 763 NH2 ARG A 49 -13.153 7.399 -4.410 1.00 0.00 N ATOM 0 H ARG A 49 -8.791 10.619 0.217 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.817 11.225 -2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.410 11.818 -1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.959 12.546 -2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.927 10.374 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.086 9.521 -2.182 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.341 10.381 -1.840 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.184 11.495 -3.184 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.790 9.819 -4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.541 8.169 -1.713 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.106 6.589 -2.268 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.547 7.819 -5.252 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.232 6.394 -4.256 1.00 0.00 H new ATOM 777 N CYS A 50 -7.392 13.720 -1.902 1.00 0.00 N ATOM 778 CA CYS A 50 -6.791 14.978 -1.482 1.00 0.00 C ATOM 779 C CYS A 50 -7.882 16.021 -1.229 1.00 0.00 C ATOM 780 O CYS A 50 -8.901 16.047 -1.918 1.00 0.00 O ATOM 781 CB CYS A 50 -5.798 15.479 -2.534 1.00 0.00 C ATOM 782 SG CYS A 50 -4.353 14.447 -2.887 1.00 0.00 S ATOM 0 H CYS A 50 -7.500 13.630 -2.912 1.00 0.00 H new ATOM 0 HA CYS A 50 -6.244 14.812 -0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.343 15.624 -3.467 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.441 16.459 -2.218 1.00 0.00 H new ATOM 787 N ASP A 51 -7.656 16.868 -0.220 1.00 0.00 N ATOM 788 CA ASP A 51 -8.579 17.866 0.306 1.00 0.00 C ATOM 789 C ASP A 51 -7.794 19.140 0.633 1.00 0.00 C ATOM 790 O ASP A 51 -6.609 19.224 0.328 1.00 0.00 O ATOM 791 CB ASP A 51 -9.276 17.292 1.549 1.00 0.00 C ATOM 792 CG ASP A 51 -10.184 16.116 1.202 1.00 0.00 C ATOM 793 OD1 ASP A 51 -9.662 14.981 1.152 1.00 0.00 O ATOM 794 OD2 ASP A 51 -11.389 16.372 0.989 1.00 0.00 O ATOM 0 H ASP A 51 -6.766 16.871 0.279 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.346 18.117 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.525 16.970 2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.863 18.075 2.029 1.00 0.00 H new ATOM 799 N LYS A 52 -8.443 20.142 1.239 1.00 0.00 N ATOM 800 CA LYS A 52 -7.859 21.454 1.505 1.00 0.00 C ATOM 801 C LYS A 52 -6.486 21.355 2.190 1.00 0.00 C ATOM 802 O LYS A 52 -6.274 20.435 2.979 1.00 0.00 O ATOM 803 CB LYS A 52 -8.816 22.268 2.390 1.00 0.00 C ATOM 804 CG LYS A 52 -10.145 22.568 1.688 1.00 0.00 C ATOM 805 CD LYS A 52 -11.020 23.464 2.572 1.00 0.00 C ATOM 806 CE LYS A 52 -12.339 23.792 1.868 1.00 0.00 C ATOM 807 NZ LYS A 52 -13.181 24.671 2.698 1.00 0.00 N ATOM 0 H LYS A 52 -9.407 20.058 1.563 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.711 21.949 0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.010 21.719 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.337 23.206 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.958 23.059 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.668 21.637 1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.222 22.964 3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.487 24.386 2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.134 24.276 0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.877 22.870 1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.068 24.877 2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.395 24.197 3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.675 25.560 2.886 1.00 0.00 H new ATOM 821 N PRO A 53 -5.555 22.292 1.916 1.00 0.00 N ATOM 822 CA PRO A 53 -4.273 22.396 2.602 1.00 0.00 C ATOM 823 C PRO A 53 -4.524 22.884 4.031 1.00 0.00 C ATOM 824 O PRO A 53 -4.319 24.049 4.366 1.00 0.00 O ATOM 825 CB PRO A 53 -3.438 23.370 1.767 1.00 0.00 C ATOM 826 CG PRO A 53 -4.492 24.287 1.149 1.00 0.00 C ATOM 827 CD PRO A 53 -5.685 23.355 0.932 1.00 0.00 C ATOM 0 HA PRO A 53 -3.740 21.449 2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.731 23.926 2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.857 22.852 1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.744 25.115 1.812 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.146 24.723 0.212 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -6.626 23.891 1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.684 22.951 -0.080 1.00 0.00 H new ATOM 835 N ARG A 54 -5.001 21.951 4.855 1.00 0.00 N ATOM 836 CA ARG A 54 -5.541 22.151 6.186 1.00 0.00 C ATOM 837 C ARG A 54 -5.850 20.757 6.732 1.00 0.00 C ATOM 838 O ARG A 54 -5.354 20.380 7.792 1.00 0.00 O ATOM 839 CB ARG A 54 -6.817 23.001 6.075 1.00 0.00 C ATOM 840 CG ARG A 54 -7.562 23.159 7.409 1.00 0.00 C ATOM 841 CD ARG A 54 -8.957 23.753 7.177 1.00 0.00 C ATOM 842 NE ARG A 54 -9.784 22.874 6.336 1.00 0.00 N ATOM 843 CZ ARG A 54 -10.347 21.720 6.733 1.00 0.00 C ATOM 844 NH1 ARG A 54 -10.293 21.328 8.014 1.00 0.00 N ATOM 845 NH2 ARG A 54 -10.967 20.944 5.834 1.00 0.00 N ATOM 0 H ARG A 54 -5.018 20.968 4.584 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.850 22.671 6.849 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.555 23.988 5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.486 22.545 5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.650 22.190 7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.992 23.805 8.077 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.451 23.911 8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.863 24.730 6.702 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.943 23.164 5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.819 21.909 8.706 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.726 20.449 8.297 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.009 21.230 4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.397 20.067 6.128 1.00 0.00 H new ATOM 859 N ARG A 55 -6.666 20.000 5.986 1.00 0.00 N ATOM 860 CA ARG A 55 -7.018 18.620 6.270 1.00 0.00 C ATOM 861 C ARG A 55 -7.610 18.012 4.999 1.00 0.00 C ATOM 862 O ARG A 55 -7.180 16.894 4.641 1.00 0.00 O ATOM 863 CB ARG A 55 -8.013 18.563 7.443 1.00 0.00 C ATOM 864 CG ARG A 55 -8.346 17.144 7.932 1.00 0.00 C ATOM 865 CD ARG A 55 -7.288 16.549 8.875 1.00 0.00 C ATOM 866 NE ARG A 55 -6.004 16.302 8.208 1.00 0.00 N ATOM 867 CZ ARG A 55 -5.750 15.341 7.306 1.00 0.00 C ATOM 868 NH1 ARG A 55 -6.682 14.435 6.986 1.00 0.00 N ATOM 869 NH2 ARG A 55 -4.551 15.289 6.713 1.00 0.00 N ATOM 870 OXT ARG A 55 -8.486 18.682 4.406 1.00 0.00 O ATOM 0 H ARG A 55 -7.111 20.354 5.139 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.139 18.047 6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.604 19.134 8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.938 19.056 7.142 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.307 17.163 8.445 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.459 16.489 7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.132 17.228 9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.663 15.613 9.289 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.231 16.920 8.454 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.600 14.469 7.429 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.474 13.711 6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.836 15.977 6.947 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.353 14.561 6.027 1.00 0.00 H new TER 883 ARG A 55