USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 401 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 GLN : amide:sc= -0.779 K(o=-0.78,f=-1.7!) USER MOD Single : A 12 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.0059) USER MOD Single : A 17 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.403) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0511 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -117:sc= -0.14 (180deg=-3.03!) USER MOD Single : A 25 HIS : no HD1:sc= -2.56! K(o=-2.6!,f=-1.2) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 61:sc= 1.08 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.34) USER MOD Single : A 44 SER OG : rot 180:sc= -0.295 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 8.283 0.033 -11.745 1.00 0.00 N ATOM 81 CA ALA A 9 7.965 -1.189 -11.017 1.00 0.00 C ATOM 82 C ALA A 9 8.211 -1.017 -9.522 1.00 0.00 C ATOM 83 O ALA A 9 8.248 -1.993 -8.773 1.00 0.00 O ATOM 84 CB ALA A 9 8.782 -2.353 -11.557 1.00 0.00 C ATOM 0 HA ALA A 9 6.906 -1.404 -11.162 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.534 -3.259 -11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.554 -2.499 -12.613 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.844 -2.137 -11.442 1.00 0.00 H new ATOM 90 N GLN A 10 8.379 0.230 -9.094 1.00 0.00 N ATOM 91 CA GLN A 10 8.623 0.529 -7.688 1.00 0.00 C ATOM 92 C GLN A 10 7.483 0.012 -6.816 1.00 0.00 C ATOM 93 O GLN A 10 6.332 -0.072 -7.243 1.00 0.00 O ATOM 94 CB GLN A 10 8.792 2.036 -7.487 1.00 0.00 C ATOM 95 CG GLN A 10 10.180 2.545 -7.842 1.00 0.00 C ATOM 96 CD GLN A 10 11.226 2.152 -6.818 1.00 0.00 C ATOM 97 OE1 GLN A 10 11.082 2.432 -5.627 1.00 0.00 O ATOM 98 NE2 GLN A 10 12.287 1.498 -7.276 1.00 0.00 N ATOM 0 H GLN A 10 8.351 1.049 -9.701 1.00 0.00 H new ATOM 0 HA GLN A 10 9.542 0.025 -7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.055 2.560 -8.096 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.579 2.282 -6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.468 2.154 -8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.153 3.631 -7.929 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.366 1.287 -8.271 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.023 1.207 -6.633 1.00 0.00 H new ATOM 107 N PRO A 11 7.809 -0.342 -5.564 1.00 0.00 N ATOM 108 CA PRO A 11 6.826 -0.856 -4.606 1.00 0.00 C ATOM 109 C PRO A 11 5.844 0.217 -4.150 1.00 0.00 C ATOM 110 O PRO A 11 4.706 -0.082 -3.790 1.00 0.00 O ATOM 111 CB PRO A 11 7.688 -1.325 -3.431 1.00 0.00 C ATOM 112 CG PRO A 11 8.930 -0.506 -3.521 1.00 0.00 C ATOM 113 CD PRO A 11 9.162 -0.267 -4.987 1.00 0.00 C ATOM 0 HA PRO A 11 6.207 -1.642 -5.040 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.179 -1.169 -2.480 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.910 -2.390 -3.503 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.816 0.436 -2.985 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.775 -1.028 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.622 0.704 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.824 -1.019 -5.417 1.00 0.00 H new ATOM 121 N ASN A 12 6.291 1.469 -4.170 1.00 0.00 N ATOM 122 CA ASN A 12 5.450 2.587 -3.759 1.00 0.00 C ATOM 123 C ASN A 12 4.826 3.273 -4.971 1.00 0.00 C ATOM 124 O ASN A 12 3.608 3.430 -5.049 1.00 0.00 O ATOM 125 CB ASN A 12 6.268 3.597 -2.952 1.00 0.00 C ATOM 126 CG ASN A 12 7.399 2.943 -2.183 1.00 0.00 C ATOM 127 OD1 ASN A 12 8.547 3.383 -2.251 1.00 0.00 O ATOM 128 ND2 ASN A 12 7.079 1.885 -1.446 1.00 0.00 N ATOM 0 H ASN A 12 7.230 1.734 -4.466 1.00 0.00 H new ATOM 0 HA ASN A 12 4.648 2.196 -3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.678 4.349 -3.626 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.612 4.117 -2.255 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.798 1.403 -0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.114 1.555 -1.419 1.00 0.00 H new ATOM 135 N ALA A 13 5.670 3.679 -5.914 1.00 0.00 N ATOM 136 CA ALA A 13 5.202 4.345 -7.123 1.00 0.00 C ATOM 137 C ALA A 13 3.906 3.719 -7.628 1.00 0.00 C ATOM 138 O ALA A 13 2.915 4.415 -7.850 1.00 0.00 O ATOM 139 CB ALA A 13 6.272 4.292 -8.203 1.00 0.00 C ATOM 0 H ALA A 13 6.682 3.558 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 13 5.000 5.388 -6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.909 4.793 -9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.173 4.792 -7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.502 3.252 -8.436 1.00 0.00 H new ATOM 145 N ILE A 14 3.922 2.402 -7.808 1.00 0.00 N ATOM 146 CA ILE A 14 2.748 1.684 -8.287 1.00 0.00 C ATOM 147 C ILE A 14 1.537 1.958 -7.402 1.00 0.00 C ATOM 148 O ILE A 14 0.480 2.367 -7.886 1.00 0.00 O ATOM 149 CB ILE A 14 2.999 0.165 -8.338 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.208 -0.145 -9.223 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.762 -0.560 -8.847 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.686 -1.576 -9.114 1.00 0.00 C ATOM 0 H ILE A 14 4.734 1.812 -7.629 1.00 0.00 H new ATOM 0 HA ILE A 14 2.547 2.045 -9.296 1.00 0.00 H new ATOM 0 HB ILE A 14 3.212 -0.187 -7.329 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.952 0.066 -10.261 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.026 0.524 -8.955 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.955 -1.632 -8.877 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.923 -0.361 -8.180 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.520 -0.207 -9.849 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.545 -1.723 -9.768 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.974 -1.786 -8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.884 -2.251 -9.411 1.00 0.00 H new ATOM 164 N LEU A 15 1.697 1.732 -6.103 1.00 0.00 N ATOM 165 CA LEU A 15 0.617 1.957 -5.149 1.00 0.00 C ATOM 166 C LEU A 15 0.072 3.376 -5.267 1.00 0.00 C ATOM 167 O LEU A 15 -1.137 3.596 -5.189 1.00 0.00 O ATOM 168 CB LEU A 15 1.109 1.705 -3.723 1.00 0.00 C ATOM 169 CG LEU A 15 0.959 0.274 -3.204 1.00 0.00 C ATOM 170 CD1 LEU A 15 1.730 0.094 -1.905 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.510 -0.070 -3.006 1.00 0.00 C ATOM 0 H LEU A 15 2.564 1.393 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.188 1.259 -5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.162 1.981 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.570 2.372 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 15 1.374 -0.407 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.612 -0.930 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.787 0.298 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.345 0.784 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.598 -1.092 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.950 0.617 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.036 0.018 -3.957 1.00 0.00 H new ATOM 183 N GLU A 16 0.971 4.336 -5.459 1.00 0.00 N ATOM 184 CA GLU A 16 0.579 5.735 -5.590 1.00 0.00 C ATOM 185 C GLU A 16 -0.143 5.976 -6.912 1.00 0.00 C ATOM 186 O GLU A 16 -0.951 6.896 -7.033 1.00 0.00 O ATOM 187 CB GLU A 16 1.807 6.643 -5.494 1.00 0.00 C ATOM 188 CG GLU A 16 1.470 8.091 -5.182 1.00 0.00 C ATOM 189 CD GLU A 16 2.695 8.912 -4.828 1.00 0.00 C ATOM 190 OE1 GLU A 16 3.448 8.495 -3.923 1.00 0.00 O ATOM 191 OE2 GLU A 16 2.901 9.971 -5.457 1.00 0.00 O ATOM 0 H GLU A 16 1.975 4.171 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.104 5.972 -4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.473 6.259 -4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.354 6.601 -6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.974 8.538 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.763 8.125 -4.353 1.00 0.00 H new ATOM 198 N LYS A 17 0.155 5.142 -7.903 1.00 0.00 N ATOM 199 CA LYS A 17 -0.464 5.262 -9.217 1.00 0.00 C ATOM 200 C LYS A 17 -1.939 4.875 -9.161 1.00 0.00 C ATOM 201 O LYS A 17 -2.819 5.711 -9.365 1.00 0.00 O ATOM 202 CB LYS A 17 0.267 4.380 -10.231 1.00 0.00 C ATOM 203 CG LYS A 17 -0.389 4.354 -11.601 1.00 0.00 C ATOM 204 CD LYS A 17 0.612 4.019 -12.693 1.00 0.00 C ATOM 205 CE LYS A 17 0.765 2.516 -12.868 1.00 0.00 C ATOM 206 NZ LYS A 17 1.811 1.956 -11.969 1.00 0.00 N ATOM 0 H LYS A 17 0.822 4.375 -7.820 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.391 6.303 -9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.292 4.735 -10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.319 3.363 -9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.194 3.619 -11.606 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.842 5.324 -11.807 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.288 4.465 -13.634 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.579 4.458 -12.448 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.188 2.028 -12.664 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.021 2.295 -13.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.257 1.135 -12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.532 2.682 -11.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.376 1.660 -11.072 1.00 0.00 H new ATOM 220 N VAL A 18 -2.201 3.602 -8.882 1.00 0.00 N ATOM 221 CA VAL A 18 -3.569 3.104 -8.796 1.00 0.00 C ATOM 222 C VAL A 18 -4.404 3.954 -7.844 1.00 0.00 C ATOM 223 O VAL A 18 -5.633 3.880 -7.845 1.00 0.00 O ATOM 224 CB VAL A 18 -3.605 1.639 -8.323 1.00 0.00 C ATOM 225 CG1 VAL A 18 -5.024 1.093 -8.382 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.662 0.787 -9.160 1.00 0.00 C ATOM 0 H VAL A 18 -1.484 2.897 -8.712 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.991 3.164 -9.799 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.270 1.601 -7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.029 0.057 -8.044 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.670 1.688 -7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.390 1.142 -9.407 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.699 -0.246 -8.813 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.965 0.829 -10.206 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.645 1.166 -9.062 1.00 0.00 H new ATOM 236 N PHE A 19 -3.729 4.762 -7.034 1.00 0.00 N ATOM 237 CA PHE A 19 -4.408 5.626 -6.076 1.00 0.00 C ATOM 238 C PHE A 19 -5.174 6.735 -6.792 1.00 0.00 C ATOM 239 O PHE A 19 -6.198 7.214 -6.303 1.00 0.00 O ATOM 240 CB PHE A 19 -3.398 6.236 -5.101 1.00 0.00 C ATOM 241 CG PHE A 19 -4.033 7.068 -4.023 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.688 8.248 -4.336 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.973 6.669 -2.697 1.00 0.00 C ATOM 244 CE1 PHE A 19 -5.273 9.015 -3.346 1.00 0.00 C ATOM 245 CE2 PHE A 19 -4.557 7.433 -1.704 1.00 0.00 C ATOM 246 CZ PHE A 19 -5.206 8.608 -2.028 1.00 0.00 C ATOM 0 H PHE A 19 -2.712 4.837 -7.022 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.120 5.018 -5.518 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.822 5.435 -4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.694 6.854 -5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.742 8.572 -5.365 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.465 5.752 -2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.782 9.932 -3.603 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.506 7.111 -0.674 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.660 9.207 -1.253 1.00 0.00 H new ATOM 256 N THR A 20 -4.670 7.139 -7.954 1.00 0.00 N ATOM 257 CA THR A 20 -5.304 8.192 -8.737 1.00 0.00 C ATOM 258 C THR A 20 -5.753 7.671 -10.097 1.00 0.00 C ATOM 259 O THR A 20 -6.824 8.029 -10.587 1.00 0.00 O ATOM 260 CB THR A 20 -4.355 9.387 -8.945 1.00 0.00 C ATOM 261 OG1 THR A 20 -3.331 9.041 -9.885 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.720 9.810 -7.629 1.00 0.00 C ATOM 0 H THR A 20 -3.824 6.753 -8.373 1.00 0.00 H new ATOM 0 HA THR A 20 -6.175 8.524 -8.173 1.00 0.00 H new ATOM 0 HB THR A 20 -4.938 10.222 -9.333 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.733 9.806 -10.013 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.054 10.655 -7.802 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.500 10.100 -6.925 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.150 8.978 -7.216 1.00 0.00 H new ATOM 270 N ALA A 21 -4.928 6.823 -10.702 1.00 0.00 N ATOM 271 CA ALA A 21 -5.242 6.250 -12.005 1.00 0.00 C ATOM 272 C ALA A 21 -6.505 5.398 -11.941 1.00 0.00 C ATOM 273 O ALA A 21 -7.290 5.363 -12.889 1.00 0.00 O ATOM 274 CB ALA A 21 -4.071 5.423 -12.514 1.00 0.00 C ATOM 0 H ALA A 21 -4.037 6.518 -10.311 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.423 7.070 -12.700 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.320 5.001 -13.488 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.190 6.058 -12.608 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.863 4.616 -11.811 1.00 0.00 H new ATOM 280 N ILE A 22 -6.695 4.714 -10.818 1.00 0.00 N ATOM 281 CA ILE A 22 -7.863 3.863 -10.631 1.00 0.00 C ATOM 282 C ILE A 22 -8.773 4.412 -9.537 1.00 0.00 C ATOM 283 O ILE A 22 -9.887 4.862 -9.808 1.00 0.00 O ATOM 284 CB ILE A 22 -7.458 2.422 -10.271 1.00 0.00 C ATOM 285 CG1 ILE A 22 -6.594 1.820 -11.380 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.695 1.568 -10.033 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.522 0.309 -11.338 1.00 0.00 C ATOM 0 H ILE A 22 -6.055 4.733 -10.024 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.402 3.854 -11.578 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.873 2.444 -9.352 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.990 2.130 -12.347 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.585 2.226 -11.304 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.392 0.552 -9.779 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.276 1.989 -9.212 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.304 1.550 -10.937 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.893 -0.048 -12.153 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.097 -0.009 -10.386 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.524 -0.106 -11.445 1.00 0.00 H new ATOM 299 N THR A 23 -8.291 4.373 -8.299 1.00 0.00 N ATOM 300 CA THR A 23 -9.060 4.866 -7.163 1.00 0.00 C ATOM 301 C THR A 23 -8.210 4.903 -5.898 1.00 0.00 C ATOM 302 O THR A 23 -7.281 4.112 -5.739 1.00 0.00 O ATOM 303 CB THR A 23 -10.305 3.996 -6.907 1.00 0.00 C ATOM 304 OG1 THR A 23 -11.269 4.732 -6.146 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.931 2.722 -6.164 1.00 0.00 C ATOM 0 H THR A 23 -7.371 4.005 -8.057 1.00 0.00 H new ATOM 0 HA THR A 23 -9.379 5.878 -7.413 1.00 0.00 H new ATOM 0 HB THR A 23 -10.735 3.723 -7.871 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.058 4.173 -5.989 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.826 2.124 -5.994 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.219 2.150 -6.759 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.479 2.979 -5.206 1.00 0.00 H new ATOM 313 N LYS A 24 -8.535 5.826 -4.999 1.00 0.00 N ATOM 314 CA LYS A 24 -7.803 5.966 -3.746 1.00 0.00 C ATOM 315 C LYS A 24 -8.251 4.915 -2.735 1.00 0.00 C ATOM 316 O LYS A 24 -7.586 4.690 -1.723 1.00 0.00 O ATOM 317 CB LYS A 24 -8.008 7.367 -3.166 1.00 0.00 C ATOM 318 CG LYS A 24 -9.408 7.604 -2.627 1.00 0.00 C ATOM 319 CD LYS A 24 -9.431 8.736 -1.613 1.00 0.00 C ATOM 320 CE LYS A 24 -9.685 10.078 -2.282 1.00 0.00 C ATOM 321 NZ LYS A 24 -10.401 11.021 -1.378 1.00 0.00 N ATOM 0 H LYS A 24 -9.301 6.489 -5.115 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.743 5.817 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.287 7.528 -2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.796 8.106 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.081 7.839 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.780 6.691 -2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.206 8.546 -0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.481 8.768 -1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.735 10.517 -2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.272 9.927 -3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.328 11.257 -1.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.535 10.576 -0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.840 11.890 -1.268 1.00 0.00 H new ATOM 335 N HIS A 25 -9.380 4.273 -3.016 1.00 0.00 N ATOM 336 CA HIS A 25 -9.915 3.244 -2.132 1.00 0.00 C ATOM 337 C HIS A 25 -10.209 1.962 -2.905 1.00 0.00 C ATOM 338 O HIS A 25 -11.354 1.660 -3.242 1.00 0.00 O ATOM 339 CB HIS A 25 -11.187 3.742 -1.445 1.00 0.00 C ATOM 340 CG HIS A 25 -10.929 4.732 -0.352 1.00 0.00 C ATOM 341 ND1 HIS A 25 -10.412 4.379 0.877 1.00 0.00 N ATOM 342 CD2 HIS A 25 -11.118 6.072 -0.308 1.00 0.00 C ATOM 343 CE1 HIS A 25 -10.295 5.459 1.630 1.00 0.00 C ATOM 344 NE2 HIS A 25 -10.717 6.499 0.934 1.00 0.00 N ATOM 0 H HIS A 25 -9.942 4.447 -3.849 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.163 3.026 -1.374 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.838 4.198 -2.191 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.725 2.889 -1.032 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.511 6.690 -1.102 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -9.919 5.486 2.642 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.741 7.463 1.265 1.00 0.00 H new ATOM 353 N PRO A 26 -9.152 1.189 -3.195 1.00 0.00 N ATOM 354 CA PRO A 26 -9.271 -0.073 -3.932 1.00 0.00 C ATOM 355 C PRO A 26 -9.965 -1.158 -3.115 1.00 0.00 C ATOM 356 O PRO A 26 -10.395 -0.919 -1.987 1.00 0.00 O ATOM 357 CB PRO A 26 -7.817 -0.460 -4.210 1.00 0.00 C ATOM 358 CG PRO A 26 -7.034 0.205 -3.131 1.00 0.00 C ATOM 359 CD PRO A 26 -7.758 1.487 -2.824 1.00 0.00 C ATOM 0 HA PRO A 26 -9.876 0.036 -4.832 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.684 -1.542 -4.186 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.499 -0.121 -5.196 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.971 -0.429 -2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.012 0.402 -3.455 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.671 1.755 -1.771 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.359 2.322 -3.400 1.00 0.00 H new ATOM 367 N ASP A 27 -10.069 -2.350 -3.691 1.00 0.00 N ATOM 368 CA ASP A 27 -10.709 -3.473 -3.016 1.00 0.00 C ATOM 369 C ASP A 27 -9.778 -4.681 -2.969 1.00 0.00 C ATOM 370 O ASP A 27 -8.679 -4.651 -3.522 1.00 0.00 O ATOM 371 CB ASP A 27 -12.012 -3.845 -3.723 1.00 0.00 C ATOM 372 CG ASP A 27 -12.916 -4.702 -2.858 1.00 0.00 C ATOM 373 OD1 ASP A 27 -13.019 -4.418 -1.646 1.00 0.00 O ATOM 374 OD2 ASP A 27 -13.520 -5.655 -3.392 1.00 0.00 O ATOM 0 H ASP A 27 -9.718 -2.564 -4.625 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.934 -3.170 -1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.541 -2.935 -4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.782 -4.380 -4.645 1.00 0.00 H new ATOM 379 N GLU A 28 -10.225 -5.741 -2.303 1.00 0.00 N ATOM 380 CA GLU A 28 -9.431 -6.957 -2.183 1.00 0.00 C ATOM 381 C GLU A 28 -8.887 -7.389 -3.542 1.00 0.00 C ATOM 382 O GLU A 28 -7.675 -7.463 -3.744 1.00 0.00 O ATOM 383 CB GLU A 28 -10.271 -8.083 -1.576 1.00 0.00 C ATOM 384 CG GLU A 28 -9.441 -9.224 -1.011 1.00 0.00 C ATOM 385 CD GLU A 28 -10.165 -9.986 0.083 1.00 0.00 C ATOM 386 OE1 GLU A 28 -10.085 -9.562 1.254 1.00 0.00 O ATOM 387 OE2 GLU A 28 -10.813 -11.006 -0.234 1.00 0.00 O ATOM 0 H GLU A 28 -11.132 -5.782 -1.839 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.588 -6.746 -1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.896 -7.672 -0.783 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.942 -8.476 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.180 -9.911 -1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.506 -8.827 -0.615 1.00 0.00 H new ATOM 394 N LYS A 29 -9.793 -7.675 -4.471 1.00 0.00 N ATOM 395 CA LYS A 29 -9.408 -8.099 -5.811 1.00 0.00 C ATOM 396 C LYS A 29 -8.303 -7.206 -6.368 1.00 0.00 C ATOM 397 O LYS A 29 -7.340 -7.691 -6.962 1.00 0.00 O ATOM 398 CB LYS A 29 -10.619 -8.071 -6.746 1.00 0.00 C ATOM 399 CG LYS A 29 -10.539 -9.083 -7.876 1.00 0.00 C ATOM 400 CD LYS A 29 -9.554 -8.645 -8.947 1.00 0.00 C ATOM 401 CE LYS A 29 -9.902 -9.244 -10.302 1.00 0.00 C ATOM 402 NZ LYS A 29 -8.733 -9.244 -11.224 1.00 0.00 N ATOM 0 H LYS A 29 -10.800 -7.621 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.030 -9.119 -5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.521 -8.259 -6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.717 -7.072 -7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.238 -10.052 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.526 -9.214 -8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.552 -7.557 -9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.546 -8.948 -8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.258 -10.265 -10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.719 -8.678 -10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.010 -9.660 -12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.408 -8.267 -11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.963 -9.805 -10.808 1.00 0.00 H new ATOM 416 N ARG A 30 -8.448 -5.900 -6.170 1.00 0.00 N ATOM 417 CA ARG A 30 -7.462 -4.940 -6.651 1.00 0.00 C ATOM 418 C ARG A 30 -6.120 -5.143 -5.955 1.00 0.00 C ATOM 419 O ARG A 30 -5.087 -5.300 -6.608 1.00 0.00 O ATOM 420 CB ARG A 30 -7.956 -3.510 -6.422 1.00 0.00 C ATOM 421 CG ARG A 30 -7.359 -2.498 -7.385 1.00 0.00 C ATOM 422 CD ARG A 30 -8.304 -1.330 -7.622 1.00 0.00 C ATOM 423 NE ARG A 30 -9.265 -1.610 -8.685 1.00 0.00 N ATOM 424 CZ ARG A 30 -10.359 -0.887 -8.897 1.00 0.00 C ATOM 425 NH1 ARG A 30 -10.628 0.155 -8.123 1.00 0.00 N ATOM 426 NH2 ARG A 30 -11.185 -1.205 -9.885 1.00 0.00 N ATOM 0 H ARG A 30 -9.239 -5.482 -5.680 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.326 -5.103 -7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.042 -3.491 -6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.718 -3.212 -5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.414 -2.128 -6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.136 -2.985 -8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.839 -1.104 -6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.726 -0.443 -7.881 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.086 -2.405 -9.299 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.994 0.403 -7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.469 0.709 -8.287 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.980 -2.006 -10.483 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.025 -0.649 -10.047 1.00 0.00 H new ATOM 440 N LEU A 31 -6.142 -5.139 -4.627 1.00 0.00 N ATOM 441 CA LEU A 31 -4.926 -5.323 -3.841 1.00 0.00 C ATOM 442 C LEU A 31 -4.213 -6.612 -4.235 1.00 0.00 C ATOM 443 O LEU A 31 -2.986 -6.653 -4.320 1.00 0.00 O ATOM 444 CB LEU A 31 -5.259 -5.346 -2.348 1.00 0.00 C ATOM 445 CG LEU A 31 -6.050 -4.149 -1.818 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.923 -4.564 -0.645 1.00 0.00 C ATOM 447 CD2 LEU A 31 -5.108 -3.025 -1.413 1.00 0.00 C ATOM 0 H LEU A 31 -6.988 -5.010 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.260 -4.485 -4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.826 -6.253 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.326 -5.416 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.698 -3.784 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.478 -3.700 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.623 -5.335 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.295 -4.955 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.688 -2.182 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.435 -3.378 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.525 -2.709 -2.278 1.00 0.00 H new ATOM 459 N GLU A 32 -4.991 -7.663 -4.475 1.00 0.00 N ATOM 460 CA GLU A 32 -4.432 -8.954 -4.861 1.00 0.00 C ATOM 461 C GLU A 32 -3.481 -8.803 -6.044 1.00 0.00 C ATOM 462 O GLU A 32 -2.484 -9.516 -6.148 1.00 0.00 O ATOM 463 CB GLU A 32 -5.553 -9.934 -5.215 1.00 0.00 C ATOM 464 CG GLU A 32 -6.257 -10.517 -4.002 1.00 0.00 C ATOM 465 CD GLU A 32 -6.929 -11.844 -4.299 1.00 0.00 C ATOM 466 OE1 GLU A 32 -7.935 -11.848 -5.038 1.00 0.00 O ATOM 467 OE2 GLU A 32 -6.446 -12.879 -3.793 1.00 0.00 O ATOM 0 H GLU A 32 -6.009 -7.646 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.870 -9.346 -4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.286 -9.424 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.138 -10.748 -5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.534 -10.652 -3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.004 -9.808 -3.644 1.00 0.00 H new ATOM 474 N GLY A 33 -3.797 -7.868 -6.936 1.00 0.00 N ATOM 475 CA GLY A 33 -2.962 -7.640 -8.100 1.00 0.00 C ATOM 476 C GLY A 33 -1.596 -7.095 -7.736 1.00 0.00 C ATOM 477 O GLY A 33 -0.573 -7.600 -8.200 1.00 0.00 O ATOM 0 H GLY A 33 -4.617 -7.265 -6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.843 -8.576 -8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.462 -6.941 -8.770 1.00 0.00 H new ATOM 481 N LEU A 34 -1.576 -6.059 -6.904 1.00 0.00 N ATOM 482 CA LEU A 34 -0.325 -5.443 -6.478 1.00 0.00 C ATOM 483 C LEU A 34 0.541 -6.440 -5.714 1.00 0.00 C ATOM 484 O LEU A 34 1.763 -6.455 -5.860 1.00 0.00 O ATOM 485 CB LEU A 34 -0.607 -4.220 -5.603 1.00 0.00 C ATOM 486 CG LEU A 34 -1.077 -2.964 -6.338 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.600 -1.933 -5.350 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.053 -2.380 -7.173 1.00 0.00 C ATOM 0 H LEU A 34 -2.413 -5.628 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 34 0.217 -5.127 -7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.364 -4.491 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.301 -3.976 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.891 -3.241 -7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.930 -1.046 -5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.439 -2.353 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.806 -1.660 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.300 -1.487 -7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.888 -2.118 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.382 -3.116 -7.906 1.00 0.00 H new ATOM 500 N SER A 35 -0.101 -7.273 -4.902 1.00 0.00 N ATOM 501 CA SER A 35 0.610 -8.272 -4.113 1.00 0.00 C ATOM 502 C SER A 35 1.772 -8.863 -4.906 1.00 0.00 C ATOM 503 O SER A 35 2.847 -9.114 -4.361 1.00 0.00 O ATOM 504 CB SER A 35 -0.346 -9.386 -3.681 1.00 0.00 C ATOM 505 OG SER A 35 0.361 -10.465 -3.093 1.00 0.00 O ATOM 0 H SER A 35 -1.113 -7.276 -4.773 1.00 0.00 H new ATOM 0 HA SER A 35 1.010 -7.782 -3.226 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.071 -8.991 -2.969 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.908 -9.743 -4.544 1.00 0.00 H new ATOM 0 HG SER A 35 0.831 -10.151 -2.293 1.00 0.00 H new ATOM 511 N LYS A 36 1.548 -9.082 -6.197 1.00 0.00 N ATOM 512 CA LYS A 36 2.575 -9.642 -7.068 1.00 0.00 C ATOM 513 C LYS A 36 3.728 -8.660 -7.251 1.00 0.00 C ATOM 514 O LYS A 36 4.884 -8.990 -6.989 1.00 0.00 O ATOM 515 CB LYS A 36 1.977 -10.002 -8.430 1.00 0.00 C ATOM 516 CG LYS A 36 3.013 -10.427 -9.456 1.00 0.00 C ATOM 517 CD LYS A 36 2.364 -11.063 -10.673 1.00 0.00 C ATOM 518 CE LYS A 36 3.404 -11.510 -11.690 1.00 0.00 C ATOM 519 NZ LYS A 36 3.985 -12.837 -11.343 1.00 0.00 N ATOM 0 H LYS A 36 0.664 -8.880 -6.664 1.00 0.00 H new ATOM 0 HA LYS A 36 2.962 -10.546 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.256 -10.809 -8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.428 -9.143 -8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.597 -9.560 -9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.708 -11.134 -9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.766 -11.920 -10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.682 -10.350 -11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.947 -11.561 -12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.201 -10.768 -11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.689 -13.106 -12.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.443 -12.782 -10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.229 -13.551 -11.316 1.00 0.00 H new ATOM 533 N GLN A 37 3.404 -7.452 -7.701 1.00 0.00 N ATOM 534 CA GLN A 37 4.413 -6.422 -7.918 1.00 0.00 C ATOM 535 C GLN A 37 5.126 -6.076 -6.615 1.00 0.00 C ATOM 536 O GLN A 37 6.353 -6.150 -6.527 1.00 0.00 O ATOM 537 CB GLN A 37 3.772 -5.166 -8.512 1.00 0.00 C ATOM 538 CG GLN A 37 3.391 -5.313 -9.976 1.00 0.00 C ATOM 539 CD GLN A 37 2.077 -6.045 -10.167 1.00 0.00 C ATOM 540 OE1 GLN A 37 2.055 -7.210 -10.563 1.00 0.00 O ATOM 541 NE2 GLN A 37 0.973 -5.364 -9.885 1.00 0.00 N ATOM 0 H GLN A 37 2.451 -7.163 -7.922 1.00 0.00 H new ATOM 0 HA GLN A 37 5.149 -6.812 -8.621 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.881 -4.916 -7.936 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.464 -4.330 -8.407 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.321 -4.325 -10.430 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.181 -5.850 -10.501 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.038 -4.400 -9.559 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.060 -5.805 -9.994 1.00 0.00 H new ATOM 550 N LEU A 38 4.351 -5.696 -5.605 1.00 0.00 N ATOM 551 CA LEU A 38 4.908 -5.338 -4.306 1.00 0.00 C ATOM 552 C LEU A 38 5.509 -6.558 -3.615 1.00 0.00 C ATOM 553 O LEU A 38 6.469 -6.443 -2.853 1.00 0.00 O ATOM 554 CB LEU A 38 3.828 -4.716 -3.419 1.00 0.00 C ATOM 555 CG LEU A 38 2.917 -3.688 -4.091 1.00 0.00 C ATOM 556 CD1 LEU A 38 2.003 -3.034 -3.067 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.745 -2.638 -4.818 1.00 0.00 C ATOM 0 H LEU A 38 3.335 -5.628 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 38 5.701 -4.608 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.206 -5.518 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.315 -4.239 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 38 2.296 -4.204 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.362 -2.306 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.385 -3.796 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.605 -2.531 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.081 -1.914 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.391 -2.126 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.357 -3.121 -5.580 1.00 0.00 H new ATOM 569 N ASP A 39 4.939 -7.726 -3.889 1.00 0.00 N ATOM 570 CA ASP A 39 5.420 -8.969 -3.297 1.00 0.00 C ATOM 571 C ASP A 39 5.087 -9.027 -1.809 1.00 0.00 C ATOM 572 O ASP A 39 5.784 -9.679 -1.032 1.00 0.00 O ATOM 573 CB ASP A 39 6.930 -9.104 -3.499 1.00 0.00 C ATOM 574 CG ASP A 39 7.395 -10.546 -3.443 1.00 0.00 C ATOM 575 OD1 ASP A 39 6.845 -11.376 -4.196 1.00 0.00 O ATOM 576 OD2 ASP A 39 8.308 -10.845 -2.645 1.00 0.00 O ATOM 0 H ASP A 39 4.143 -7.838 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 39 4.918 -9.798 -3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.205 -8.674 -4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.449 -8.528 -2.733 1.00 0.00 H new ATOM 581 N TRP A 40 4.018 -8.341 -1.421 1.00 0.00 N ATOM 582 CA TRP A 40 3.593 -8.314 -0.026 1.00 0.00 C ATOM 583 C TRP A 40 2.250 -9.015 0.148 1.00 0.00 C ATOM 584 O TRP A 40 1.706 -9.577 -0.802 1.00 0.00 O ATOM 585 CB TRP A 40 3.497 -6.870 0.471 1.00 0.00 C ATOM 586 CG TRP A 40 4.709 -6.050 0.150 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.960 -6.514 -0.143 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.786 -4.621 0.090 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.809 -5.461 -0.380 1.00 0.00 N ATOM 590 CE2 TRP A 40 6.113 -4.289 -0.244 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.862 -3.591 0.285 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.537 -2.970 -0.386 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.284 -2.283 0.144 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.611 -1.981 -0.190 1.00 0.00 C ATOM 0 H TRP A 40 3.430 -7.796 -2.052 1.00 0.00 H new ATOM 0 HA TRP A 40 4.338 -8.846 0.565 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.620 -6.398 0.028 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.345 -6.874 1.550 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.240 -7.556 -0.182 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.798 -5.539 -0.619 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.837 -3.813 0.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.560 -2.736 -0.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.579 -1.479 0.294 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.909 -0.948 -0.295 1.00 0.00 H new ATOM 605 N ASP A 41 1.721 -8.977 1.366 1.00 0.00 N ATOM 606 CA ASP A 41 0.440 -9.608 1.663 1.00 0.00 C ATOM 607 C ASP A 41 -0.714 -8.651 1.385 1.00 0.00 C ATOM 608 O ASP A 41 -0.600 -7.444 1.601 1.00 0.00 O ATOM 609 CB ASP A 41 0.400 -10.065 3.122 1.00 0.00 C ATOM 610 CG ASP A 41 1.034 -11.428 3.319 1.00 0.00 C ATOM 611 OD1 ASP A 41 0.824 -12.311 2.461 1.00 0.00 O ATOM 612 OD2 ASP A 41 1.742 -11.612 4.331 1.00 0.00 O ATOM 0 H ASP A 41 2.159 -8.516 2.163 1.00 0.00 H new ATOM 0 HA ASP A 41 0.331 -10.477 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.917 -9.334 3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.635 -10.096 3.462 1.00 0.00 H new ATOM 617 N VAL A 42 -1.826 -9.197 0.903 1.00 0.00 N ATOM 618 CA VAL A 42 -3.002 -8.392 0.594 1.00 0.00 C ATOM 619 C VAL A 42 -3.281 -7.381 1.701 1.00 0.00 C ATOM 620 O VAL A 42 -3.885 -6.335 1.462 1.00 0.00 O ATOM 621 CB VAL A 42 -4.249 -9.274 0.393 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.457 -8.419 0.045 1.00 0.00 C ATOM 623 CG2 VAL A 42 -3.995 -10.317 -0.684 1.00 0.00 C ATOM 0 H VAL A 42 -1.937 -10.194 0.718 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.788 -7.862 -0.334 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.460 -9.794 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.328 -9.059 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.649 -7.714 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.261 -7.870 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.886 -10.931 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.758 -9.819 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.158 -10.949 -0.388 1.00 0.00 H new ATOM 633 N ARG A 43 -2.837 -7.700 2.912 1.00 0.00 N ATOM 634 CA ARG A 43 -3.040 -6.819 4.056 1.00 0.00 C ATOM 635 C ARG A 43 -1.887 -5.829 4.191 1.00 0.00 C ATOM 636 O ARG A 43 -2.079 -4.692 4.622 1.00 0.00 O ATOM 637 CB ARG A 43 -3.174 -7.639 5.340 1.00 0.00 C ATOM 638 CG ARG A 43 -4.284 -8.676 5.288 1.00 0.00 C ATOM 639 CD ARG A 43 -4.699 -9.120 6.682 1.00 0.00 C ATOM 640 NE ARG A 43 -3.716 -10.015 7.287 1.00 0.00 N ATOM 641 CZ ARG A 43 -3.810 -10.477 8.529 1.00 0.00 C ATOM 642 NH1 ARG A 43 -4.837 -10.132 9.292 1.00 0.00 N ATOM 643 NH2 ARG A 43 -2.875 -11.288 9.008 1.00 0.00 N ATOM 0 H ARG A 43 -2.335 -8.561 3.127 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.960 -6.259 3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.228 -8.142 5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.359 -6.963 6.175 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.146 -8.261 4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.949 -9.540 4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.831 -8.244 7.317 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.664 -9.624 6.630 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.914 -10.301 6.725 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.558 -9.510 8.926 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.907 -10.488 10.245 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.084 -11.557 8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.947 -11.643 9.962 1.00 0.00 H new ATOM 657 N SER A 44 -0.689 -6.268 3.819 1.00 0.00 N ATOM 658 CA SER A 44 0.496 -5.422 3.902 1.00 0.00 C ATOM 659 C SER A 44 0.409 -4.266 2.910 1.00 0.00 C ATOM 660 O SER A 44 1.125 -3.272 3.034 1.00 0.00 O ATOM 661 CB SER A 44 1.757 -6.246 3.633 1.00 0.00 C ATOM 662 OG SER A 44 1.882 -7.305 4.566 1.00 0.00 O ATOM 0 H SER A 44 -0.513 -7.205 3.457 1.00 0.00 H new ATOM 0 HA SER A 44 0.548 -5.010 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.722 -6.650 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.635 -5.602 3.689 1.00 0.00 H new ATOM 0 HG SER A 44 2.694 -7.818 4.372 1.00 0.00 H new ATOM 668 N ILE A 45 -0.474 -4.405 1.926 1.00 0.00 N ATOM 669 CA ILE A 45 -0.656 -3.373 0.913 1.00 0.00 C ATOM 670 C ILE A 45 -1.530 -2.238 1.436 1.00 0.00 C ATOM 671 O ILE A 45 -1.091 -1.090 1.515 1.00 0.00 O ATOM 672 CB ILE A 45 -1.291 -3.946 -0.367 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.492 -5.154 -0.862 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.367 -2.876 -1.446 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.046 -5.766 -2.130 1.00 0.00 C ATOM 0 H ILE A 45 -1.074 -5.222 1.809 1.00 0.00 H new ATOM 0 HA ILE A 45 0.335 -2.986 0.675 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.305 -4.274 -0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.540 -4.850 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.474 -5.913 -0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.818 -3.297 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.974 -2.043 -1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.363 -2.520 -1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.430 -6.617 -2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.069 -6.101 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.039 -5.022 -2.926 1.00 0.00 H new ATOM 687 N GLN A 46 -2.767 -2.567 1.793 1.00 0.00 N ATOM 688 CA GLN A 46 -3.702 -1.574 2.310 1.00 0.00 C ATOM 689 C GLN A 46 -3.009 -0.631 3.288 1.00 0.00 C ATOM 690 O GLN A 46 -3.330 0.556 3.353 1.00 0.00 O ATOM 691 CB GLN A 46 -4.882 -2.264 2.996 1.00 0.00 C ATOM 692 CG GLN A 46 -5.904 -2.832 2.025 1.00 0.00 C ATOM 693 CD GLN A 46 -7.152 -3.339 2.721 1.00 0.00 C ATOM 694 OE1 GLN A 46 -8.263 -2.895 2.429 1.00 0.00 O ATOM 695 NE2 GLN A 46 -6.975 -4.273 3.648 1.00 0.00 N ATOM 0 H GLN A 46 -3.145 -3.512 1.734 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.072 -0.987 1.470 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.505 -3.070 3.626 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.377 -1.550 3.654 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.182 -2.063 1.305 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.450 -3.647 1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.036 -4.612 3.858 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.778 -4.652 4.150 1.00 0.00 H new ATOM 704 N ARG A 47 -2.058 -1.167 4.046 1.00 0.00 N ATOM 705 CA ARG A 47 -1.321 -0.373 5.022 1.00 0.00 C ATOM 706 C ARG A 47 -0.768 0.897 4.383 1.00 0.00 C ATOM 707 O ARG A 47 -0.827 1.976 4.972 1.00 0.00 O ATOM 708 CB ARG A 47 -0.179 -1.195 5.621 1.00 0.00 C ATOM 709 CG ARG A 47 -0.648 -2.300 6.554 1.00 0.00 C ATOM 710 CD ARG A 47 0.502 -2.859 7.377 1.00 0.00 C ATOM 711 NE ARG A 47 0.829 -2.003 8.514 1.00 0.00 N ATOM 712 CZ ARG A 47 1.572 -2.398 9.542 1.00 0.00 C ATOM 713 NH1 ARG A 47 2.063 -3.629 9.575 1.00 0.00 N ATOM 714 NH2 ARG A 47 1.826 -1.560 10.539 1.00 0.00 N ATOM 0 H ARG A 47 -1.780 -2.147 4.003 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.010 -0.088 5.817 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.403 -1.637 4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.489 -0.529 6.167 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.419 -1.913 7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.103 -3.101 5.971 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.240 -3.854 7.736 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.381 -2.970 6.742 1.00 0.00 H new ATOM 0 HE ARG A 47 0.467 -1.049 8.519 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.871 -4.275 8.810 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.633 -3.930 10.366 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.451 -0.612 10.516 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.397 -1.864 11.328 1.00 0.00 H new ATOM 728 N TRP A 48 -0.230 0.760 3.176 1.00 0.00 N ATOM 729 CA TRP A 48 0.335 1.896 2.458 1.00 0.00 C ATOM 730 C TRP A 48 -0.757 2.876 2.044 1.00 0.00 C ATOM 731 O TRP A 48 -0.643 4.081 2.272 1.00 0.00 O ATOM 732 CB TRP A 48 1.101 1.416 1.224 1.00 0.00 C ATOM 733 CG TRP A 48 1.865 2.507 0.537 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.180 2.827 0.719 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.359 3.424 -0.440 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.522 3.887 -0.086 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.423 4.271 -0.807 1.00 0.00 C ATOM 738 CE3 TRP A 48 0.111 3.610 -1.042 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.274 5.287 -1.747 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.035 4.620 -1.974 1.00 0.00 C ATOM 741 CH2 TRP A 48 1.042 5.447 -2.320 1.00 0.00 C ATOM 0 H TRP A 48 -0.173 -0.126 2.675 1.00 0.00 H new ATOM 0 HA TRP A 48 1.024 2.411 3.127 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.794 0.628 1.519 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.398 0.975 0.518 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.852 2.321 1.396 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.445 4.318 -0.138 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.724 2.976 -0.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.102 5.927 -2.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.995 4.774 -2.444 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.897 6.226 -3.054 1.00 0.00 H new ATOM 752 N PHE A 49 -1.816 2.353 1.435 1.00 0.00 N ATOM 753 CA PHE A 49 -2.929 3.183 0.989 1.00 0.00 C ATOM 754 C PHE A 49 -3.457 4.044 2.132 1.00 0.00 C ATOM 755 O PHE A 49 -3.489 5.271 2.035 1.00 0.00 O ATOM 756 CB PHE A 49 -4.055 2.308 0.433 1.00 0.00 C ATOM 757 CG PHE A 49 -3.935 2.042 -1.041 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.027 3.079 -1.955 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.730 0.755 -1.512 1.00 0.00 C ATOM 760 CE1 PHE A 49 -3.918 2.837 -3.311 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.619 0.507 -2.867 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.713 1.550 -3.768 1.00 0.00 C ATOM 0 H PHE A 49 -1.927 1.358 1.239 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.565 3.841 0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.063 1.357 0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.012 2.792 0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.186 4.088 -1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.656 -0.064 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.993 3.654 -4.013 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.459 -0.501 -3.221 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.626 1.359 -4.827 1.00 0.00 H new ATOM 772 N ARG A 50 -3.872 3.393 3.213 1.00 0.00 N ATOM 773 CA ARG A 50 -4.401 4.098 4.375 1.00 0.00 C ATOM 774 C ARG A 50 -3.389 5.112 4.902 1.00 0.00 C ATOM 775 O ARG A 50 -3.754 6.220 5.294 1.00 0.00 O ATOM 776 CB ARG A 50 -4.767 3.105 5.479 1.00 0.00 C ATOM 777 CG ARG A 50 -3.577 2.325 6.015 1.00 0.00 C ATOM 778 CD ARG A 50 -4.020 1.179 6.911 1.00 0.00 C ATOM 779 NE ARG A 50 -3.030 0.874 7.940 1.00 0.00 N ATOM 780 CZ ARG A 50 -2.941 1.530 9.092 1.00 0.00 C ATOM 781 NH1 ARG A 50 -3.780 2.521 9.360 1.00 0.00 N ATOM 782 NH2 ARG A 50 -2.013 1.194 9.978 1.00 0.00 N ATOM 0 H ARG A 50 -3.852 2.378 3.309 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.299 4.633 4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.237 3.645 6.301 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.507 2.403 5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.993 1.933 5.183 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.924 2.995 6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.968 1.435 7.385 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.197 0.291 6.303 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.371 0.116 7.765 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.496 2.781 8.681 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.710 3.023 10.245 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.367 0.431 9.775 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.946 1.698 10.862 1.00 0.00 H new ATOM 796 N GLN A 51 -2.119 4.723 4.909 1.00 0.00 N ATOM 797 CA GLN A 51 -1.055 5.597 5.389 1.00 0.00 C ATOM 798 C GLN A 51 -0.955 6.854 4.531 1.00 0.00 C ATOM 799 O GLN A 51 -0.905 7.970 5.050 1.00 0.00 O ATOM 800 CB GLN A 51 0.283 4.856 5.388 1.00 0.00 C ATOM 801 CG GLN A 51 0.570 4.117 6.685 1.00 0.00 C ATOM 802 CD GLN A 51 1.977 3.556 6.738 1.00 0.00 C ATOM 803 OE1 GLN A 51 2.704 3.576 5.744 1.00 0.00 O ATOM 804 NE2 GLN A 51 2.370 3.052 7.902 1.00 0.00 N ATOM 0 H GLN A 51 -1.801 3.809 4.588 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.296 5.894 6.410 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.293 4.143 4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.085 5.571 5.202 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.421 4.795 7.525 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.146 3.303 6.801 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.735 3.056 8.700 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.307 2.661 7.998 1.00 0.00 H new ATOM 813 N ARG A 52 -0.924 6.666 3.216 1.00 0.00 N ATOM 814 CA ARG A 52 -0.828 7.785 2.286 1.00 0.00 C ATOM 815 C ARG A 52 -1.912 8.821 2.568 1.00 0.00 C ATOM 816 O ARG A 52 -1.615 9.978 2.867 1.00 0.00 O ATOM 817 CB ARG A 52 -0.945 7.288 0.844 1.00 0.00 C ATOM 818 CG ARG A 52 -0.481 8.302 -0.189 1.00 0.00 C ATOM 819 CD ARG A 52 1.025 8.241 -0.393 1.00 0.00 C ATOM 820 NE ARG A 52 1.534 9.430 -1.071 1.00 0.00 N ATOM 821 CZ ARG A 52 1.586 10.632 -0.509 1.00 0.00 C ATOM 822 NH1 ARG A 52 1.162 10.804 0.736 1.00 0.00 N ATOM 823 NH2 ARG A 52 2.063 11.665 -1.191 1.00 0.00 N ATOM 0 H ARG A 52 -0.964 5.749 2.770 1.00 0.00 H new ATOM 0 HA ARG A 52 0.145 8.257 2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.359 6.376 0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.983 7.025 0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.985 8.114 -1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.766 9.305 0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.518 8.136 0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.276 7.355 -0.977 1.00 0.00 H new ATOM 0 HE ARG A 52 1.868 9.332 -2.030 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.795 10.012 1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.203 11.728 1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.390 11.537 -2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.102 12.588 -0.758 1.00 0.00 H new ATOM 837 N ARG A 53 -3.168 8.398 2.469 1.00 0.00 N ATOM 838 CA ARG A 53 -4.295 9.290 2.711 1.00 0.00 C ATOM 839 C ARG A 53 -3.988 10.258 3.849 1.00 0.00 C ATOM 840 O ARG A 53 -4.211 11.462 3.730 1.00 0.00 O ATOM 841 CB ARG A 53 -5.551 8.480 3.041 1.00 0.00 C ATOM 842 CG ARG A 53 -6.381 8.119 1.821 1.00 0.00 C ATOM 843 CD ARG A 53 -7.419 9.188 1.516 1.00 0.00 C ATOM 844 NE ARG A 53 -6.830 10.351 0.857 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.485 11.487 0.647 1.00 0.00 C ATOM 846 NH1 ARG A 53 -8.744 11.613 1.043 1.00 0.00 N ATOM 847 NH2 ARG A 53 -6.880 12.500 0.039 1.00 0.00 N ATOM 0 H ARG A 53 -3.430 7.444 2.223 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.471 9.868 1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.258 7.564 3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.169 9.050 3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.726 7.990 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.879 7.164 1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.197 8.766 0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.900 9.501 2.443 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.862 10.287 0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.212 10.836 1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.245 12.487 0.880 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.912 12.406 -0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.384 13.372 -0.122 1.00 0.00 H new ATOM 861 N ASN A 54 -3.475 9.723 4.953 1.00 0.00 N ATOM 862 CA ASN A 54 -3.138 10.540 6.113 1.00 0.00 C ATOM 863 C ASN A 54 -2.021 11.524 5.779 1.00 0.00 C ATOM 864 O ASN A 54 -2.090 12.700 6.136 1.00 0.00 O ATOM 865 CB ASN A 54 -2.715 9.650 7.284 1.00 0.00 C ATOM 866 CG ASN A 54 -2.579 10.426 8.580 1.00 0.00 C ATOM 867 OD1 ASN A 54 -3.463 11.199 8.949 1.00 0.00 O ATOM 868 ND2 ASN A 54 -1.467 10.222 9.277 1.00 0.00 N ATOM 0 H ASN A 54 -3.284 8.728 5.068 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.025 11.107 6.397 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.448 8.854 7.415 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.764 9.172 7.048 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.319 10.716 10.157 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.761 9.571 8.932 1.00 0.00 H new